D0JZ4W AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 3.058 1.470 2.648 1.00 0.00 C HETATM 2 C UNL 1 3.420 0.107 3.382 1.00 0.00 C HETATM 3 C UNL 1 2.612 -1.171 2.905 1.00 0.00 C HETATM 4 C UNL 1 1.762 -0.806 1.663 1.00 0.00 C HETATM 5 C UNL 1 2.850 -0.090 0.841 1.00 0.00 C HETATM 6 C UNL 1 3.104 1.231 1.146 1.00 0.00 C HETATM 7 C UNL 1 3.878 -0.757 0.135 1.00 0.00 C HETATM 8 C UNL 1 4.884 -0.044 -0.514 1.00 0.00 C HETATM 9 C UNL 1 4.780 1.338 -0.564 1.00 0.00 C HETATM 10 C UNL 1 3.868 1.996 0.262 1.00 0.00 C HETATM 11 C UNL 1 0.439 -0.235 2.302 1.00 0.00 C HETATM 12 O UNL 1 -0.592 0.462 1.640 1.00 0.00 O HETATM 13 C UNL 1 -0.754 0.464 0.312 1.00 0.00 C HETATM 14 C UNL 1 0.098 -0.032 -0.641 1.00 0.00 C HETATM 15 N UNL 1 0.729 -1.269 -0.538 1.00 0.00 N HETATM 16 C UNL 1 1.198 -1.879 0.747 1.00 0.00 C HETATM 17 C UNL 1 -1.831 1.270 -0.077 1.00 0.00 C HETATM 18 C UNL 1 -1.813 1.936 -1.301 1.00 0.00 C HETATM 19 C UNL 1 -0.639 1.921 -2.050 1.00 0.00 C HETATM 20 C UNL 1 0.315 0.906 -1.680 1.00 0.00 C HETATM 21 C UNL 1 0.574 -2.281 -1.592 1.00 0.00 C HETATM 22 C UNL 1 -0.809 -2.958 -1.786 1.00 0.00 C HETATM 23 C UNL 1 -0.450 -4.350 -2.472 1.00 0.00 C HETATM 24 C UNL 1 -0.705 -3.619 -3.811 1.00 0.00 C HETATM 25 C UNL 1 -1.856 -2.901 -3.039 1.00 0.00 C HETATM 26 C UNL 1 -2.672 -1.838 -3.780 1.00 0.00 C HETATM 27 C UNL 1 -1.907 -1.126 -4.855 1.00 0.00 C HETATM 28 O UNL 1 -3.282 -0.936 -2.873 1.00 0.00 O HETATM 29 C UNL 1 -0.773 -0.461 -4.617 1.00 0.00 C HETATM 30 C UNL 1 0.162 0.179 -5.608 1.00 0.00 C HETATM 31 C UNL 1 1.315 0.791 -4.807 1.00 0.00 C HETATM 32 C UNL 1 2.088 2.010 -5.284 1.00 0.00 C HETATM 33 S UNL 1 1.014 3.450 -5.278 1.00 0.00 S HETATM 34 N UNL 1 0.660 3.524 -3.581 1.00 0.00 N HETATM 35 O UNL 1 1.799 4.638 -5.529 1.00 0.00 O HETATM 36 O UNL 1 -0.195 3.196 -6.024 1.00 0.00 O HETATM 37 C UNL 1 -0.596 3.065 -3.077 1.00 0.00 C HETATM 38 O UNL 1 -1.578 3.758 -3.282 1.00 0.00 O HETATM 39 CL UNL 1 5.840 2.229 -1.582 1.00 0.00 Cl HETATM 40 C UNL 1 2.877 1.664 -6.539 1.00 0.00 C HETATM 41 C UNL 1 3.813 2.739 -7.051 1.00 0.00 C HETATM 42 H UNL 1 3.802 2.223 2.925 1.00 0.00 H HETATM 43 H UNL 1 2.076 1.838 2.948 1.00 0.00 H HETATM 44 H UNL 1 3.336 0.222 4.466 1.00 0.00 H HETATM 45 H UNL 1 4.482 -0.106 3.181 1.00 0.00 H HETATM 46 H UNL 1 1.991 -1.540 3.730 1.00 0.00 H HETATM 47 H UNL 1 3.314 -1.988 2.687 1.00 0.00 H HETATM 48 H UNL 1 3.958 -1.842 0.151 1.00 0.00 H HETATM 49 H UNL 1 5.716 -0.567 -0.979 1.00 0.00 H HETATM 50 H UNL 1 3.806 3.079 0.263 1.00 0.00 H HETATM 51 H UNL 1 0.646 0.330 3.215 1.00 0.00 H HETATM 52 H UNL 1 -0.112 -1.105 2.692 1.00 0.00 H HETATM 53 H UNL 1 1.995 -2.609 0.540 1.00 0.00 H HETATM 54 H UNL 1 0.402 -2.484 1.200 1.00 0.00 H HETATM 55 H UNL 1 -2.591 1.495 0.618 1.00 0.00 H HETATM 56 H UNL 1 -2.668 2.539 -1.592 1.00 0.00 H HETATM 57 H UNL 1 1.283 0.831 -2.162 1.00 0.00 H HETATM 58 H UNL 1 1.232 -3.105 -1.273 1.00 0.00 H HETATM 59 H UNL 1 1.038 -1.941 -2.518 1.00 0.00 H HETATM 60 H UNL 1 -1.320 -3.088 -0.821 1.00 0.00 H HETATM 61 H UNL 1 0.555 -4.757 -2.339 1.00 0.00 H HETATM 62 H UNL 1 -1.160 -5.164 -2.277 1.00 0.00 H HETATM 63 H UNL 1 -0.973 -4.222 -4.676 1.00 0.00 H HETATM 64 H UNL 1 0.121 -2.962 -4.118 1.00 0.00 H HETATM 65 H UNL 1 -2.668 -3.619 -2.796 1.00 0.00 H HETATM 66 H UNL 1 -3.498 -2.348 -4.295 1.00 0.00 H HETATM 67 H UNL 1 -2.265 -1.241 -5.874 1.00 0.00 H HETATM 68 H UNL 1 -2.628 -0.683 -2.202 1.00 0.00 H HETATM 69 H UNL 1 -0.494 -0.425 -3.575 1.00 0.00 H HETATM 70 H UNL 1 -0.389 0.907 -6.202 1.00 0.00 H HETATM 71 H UNL 1 0.563 -0.579 -6.287 1.00 0.00 H HETATM 72 H UNL 1 2.004 0.007 -4.480 1.00 0.00 H HETATM 73 H UNL 1 0.851 1.159 -3.918 1.00 0.00 H HETATM 74 H UNL 1 2.822 2.271 -4.506 1.00 0.00 H HETATM 75 H UNL 1 0.627 4.549 -3.503 1.00 0.00 H HETATM 76 H UNL 1 3.509 0.804 -6.272 1.00 0.00 H HETATM 77 H UNL 1 2.214 1.328 -7.338 1.00 0.00 H HETATM 78 H UNL 1 4.517 3.062 -6.277 1.00 0.00 H HETATM 79 H UNL 1 3.268 3.607 -7.423 1.00 0.00 H HETATM 80 H UNL 1 4.401 2.333 -7.882 1.00 0.00 H CONECT 1 2 6 42 43 CONECT 2 1 3 44 45 CONECT 3 2 4 46 47 CONECT 4 5 11 16 3 CONECT 5 6 7 4 CONECT 6 5 1 10 CONECT 7 5 8 48 CONECT 8 7 9 49 CONECT 9 8 10 39 CONECT 10 9 6 50 CONECT 11 4 12 51 52 CONECT 12 11 13 CONECT 13 12 14 17 CONECT 14 13 15 20 CONECT 15 14 16 21 CONECT 16 15 4 53 54 CONECT 17 13 18 55 CONECT 18 17 19 56 CONECT 19 18 20 37 CONECT 20 19 14 57 CONECT 21 15 22 58 59 CONECT 22 21 25 23 60 CONECT 23 24 22 61 62 CONECT 24 23 25 63 64 CONECT 25 22 26 24 65 CONECT 26 25 27 28 66 CONECT 27 26 29 67 CONECT 28 26 68 CONECT 29 27 30 69 CONECT 30 29 31 70 71 CONECT 31 30 32 72 73 CONECT 32 31 33 40 74 CONECT 33 32 34 35 36 CONECT 34 33 37 75 CONECT 35 33 CONECT 36 33 CONECT 37 19 34 38 CONECT 38 37 CONECT 39 9 CONECT 40 41 32 76 77 CONECT 41 40 78 79 80 CONECT 42 1 CONECT 43 1 CONECT 44 2 CONECT 45 2 CONECT 46 3 CONECT 47 3 CONECT 48 7 CONECT 49 8 CONECT 50 10 CONECT 51 11 CONECT 52 11 CONECT 53 16 CONECT 54 16 CONECT 55 17 CONECT 56 18 CONECT 57 20 CONECT 58 21 CONECT 59 21 CONECT 60 22 CONECT 61 23 CONECT 62 23 CONECT 63 24 CONECT 64 24 CONECT 65 25 CONECT 66 26 CONECT 67 27 CONECT 68 28 CONECT 69 29 CONECT 70 30 CONECT 71 30 CONECT 72 31 CONECT 73 31 CONECT 74 32 CONECT 75 34 CONECT 76 40 CONECT 77 40 CONECT 78 41 CONECT 79 41 CONECT 80 41 MASTER 0 0 0 0 0 0 0 0 80 0 80 0 END M END $$$$