D0QH1J AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 2.310 0.135 2.135 1.00 0.00 C HETATM 2 C UNL 1 3.436 0.193 3.284 1.00 0.00 C HETATM 3 C UNL 1 4.617 -0.004 2.568 1.00 0.00 C HETATM 4 C UNL 1 4.443 -0.455 1.257 1.00 0.00 C HETATM 5 C UNL 1 3.311 -1.281 1.062 1.00 0.00 C HETATM 6 C UNL 1 2.293 -0.484 0.712 1.00 0.00 C HETATM 7 C UNL 1 2.827 -2.405 2.048 1.00 0.00 C HETATM 8 C UNL 1 3.599 0.203 5.010 1.00 0.00 C HETATM 9 C UNL 1 2.672 0.504 6.035 1.00 0.00 C HETATM 10 C UNL 1 2.920 0.370 7.582 1.00 0.00 C HETATM 11 C UNL 1 4.114 -0.063 8.253 1.00 0.00 C HETATM 12 C UNL 1 5.065 -0.343 7.261 1.00 0.00 C HETATM 13 C UNL 1 4.812 -0.205 5.728 1.00 0.00 C HETATM 14 C UNL 1 4.176 -0.241 9.924 1.00 0.00 C HETATM 15 N UNL 1 5.449 -0.475 10.775 1.00 0.00 N HETATM 16 C UNL 1 5.497 -1.598 11.822 1.00 0.00 C HETATM 17 C UNL 1 6.913 -1.706 12.567 1.00 0.00 C HETATM 18 O UNL 1 7.509 -0.448 12.937 1.00 0.00 O HETATM 19 C UNL 1 7.302 0.542 11.924 1.00 0.00 C HETATM 20 C UNL 1 5.795 0.685 11.670 1.00 0.00 C HETATM 21 N UNL 1 4.895 0.281 0.147 1.00 0.00 N HETATM 22 C UNL 1 4.644 1.718 -0.255 1.00 0.00 C HETATM 23 C UNL 1 5.599 -0.567 -0.848 1.00 0.00 C HETATM 24 C UNL 1 7.096 -0.417 -0.694 1.00 0.00 C HETATM 25 C UNL 1 3.243 2.392 -0.291 1.00 0.00 C HETATM 26 C UNL 1 3.048 3.659 0.542 1.00 0.00 C HETATM 27 O UNL 1 4.237 4.429 0.652 1.00 0.00 O HETATM 28 C UNL 1 5.301 3.683 1.224 1.00 0.00 C HETATM 29 C UNL 1 5.758 2.597 0.284 1.00 0.00 C HETATM 30 C UNL 1 2.393 -1.244 -0.949 1.00 0.00 C HETATM 31 N UNL 1 3.130 -0.853 -2.256 1.00 0.00 N HETATM 32 O UNL 1 1.781 -2.315 -1.014 1.00 0.00 O HETATM 33 C UNL 1 3.099 -1.730 -3.693 1.00 0.00 C HETATM 34 C UNL 1 4.073 -1.937 -5.205 1.00 0.00 C HETATM 35 C UNL 1 4.956 -3.232 -5.440 1.00 0.00 C HETATM 36 N UNL 1 5.215 -3.555 -6.793 1.00 0.00 N HETATM 37 C UNL 1 4.695 -2.819 -7.952 1.00 0.00 C HETATM 38 C UNL 1 4.743 -1.334 -7.615 1.00 0.00 C HETATM 39 C UNL 1 4.685 -0.937 -6.223 1.00 0.00 C HETATM 40 C UNL 1 3.371 -3.377 -8.458 1.00 0.00 C HETATM 41 O UNL 1 5.487 -3.885 -4.556 1.00 0.00 O HETATM 42 C UNL 1 5.188 -0.439 -8.610 1.00 0.00 C HETATM 43 C UNL 1 5.734 0.772 -8.212 1.00 0.00 C HETATM 44 C UNL 1 6.118 0.890 -6.875 1.00 0.00 C HETATM 45 C UNL 1 5.569 0.064 -5.884 1.00 0.00 C HETATM 46 F UNL 1 5.997 0.165 -4.627 1.00 0.00 F HETATM 47 H UNL 1 1.289 0.512 2.499 1.00 0.00 H HETATM 48 H UNL 1 5.586 0.321 2.920 1.00 0.00 H HETATM 49 H UNL 1 3.606 -2.730 2.739 1.00 0.00 H HETATM 50 H UNL 1 2.429 -3.257 1.490 1.00 0.00 H HETATM 51 H UNL 1 1.973 -2.090 2.681 1.00 0.00 H HETATM 52 H UNL 1 1.677 0.858 5.762 1.00 0.00 H HETATM 53 H UNL 1 2.073 0.661 8.208 1.00 0.00 H HETATM 54 H UNL 1 6.059 -0.678 7.572 1.00 0.00 H HETATM 55 H UNL 1 5.682 -0.490 5.131 1.00 0.00 H HETATM 56 H UNL 1 3.460 -1.034 10.179 1.00 0.00 H HETATM 57 H UNL 1 3.731 0.692 10.303 1.00 0.00 H HETATM 58 H UNL 1 5.273 -2.582 11.403 1.00 0.00 H HETATM 59 H UNL 1 4.761 -1.429 12.631 1.00 0.00 H HETATM 60 H UNL 1 7.638 -2.255 11.957 1.00 0.00 H HETATM 61 H UNL 1 6.822 -2.263 13.514 1.00 0.00 H HETATM 62 H UNL 1 7.827 0.243 11.009 1.00 0.00 H HETATM 63 H UNL 1 7.743 1.481 12.270 1.00 0.00 H HETATM 64 H UNL 1 5.549 1.656 11.244 1.00 0.00 H HETATM 65 H UNL 1 5.280 0.636 12.654 1.00 0.00 H HETATM 66 H UNL 1 4.840 1.685 -1.338 1.00 0.00 H HETATM 67 H UNL 1 5.366 -0.258 -1.873 1.00 0.00 H HETATM 68 H UNL 1 5.323 -1.626 -0.769 1.00 0.00 H HETATM 69 H UNL 1 7.408 0.589 -0.990 1.00 0.00 H HETATM 70 H UNL 1 7.603 -1.131 -1.346 1.00 0.00 H HETATM 71 H UNL 1 7.401 -0.589 0.340 1.00 0.00 H HETATM 72 H UNL 1 3.117 2.757 -1.328 1.00 0.00 H HETATM 73 H UNL 1 2.379 1.740 -0.174 1.00 0.00 H HETATM 74 H UNL 1 2.315 4.315 0.045 1.00 0.00 H HETATM 75 H UNL 1 2.636 3.452 1.536 1.00 0.00 H HETATM 76 H UNL 1 6.134 4.376 1.374 1.00 0.00 H HETATM 77 H UNL 1 5.015 3.290 2.205 1.00 0.00 H HETATM 78 H UNL 1 6.534 2.002 0.769 1.00 0.00 H HETATM 79 H UNL 1 6.224 3.077 -0.587 1.00 0.00 H HETATM 80 H UNL 1 3.306 0.135 -2.366 1.00 0.00 H HETATM 81 H UNL 1 2.173 -1.325 -4.129 1.00 0.00 H HETATM 82 H UNL 1 2.880 -2.759 -3.384 1.00 0.00 H HETATM 83 H UNL 1 3.187 -2.254 -5.789 1.00 0.00 H HETATM 84 H UNL 1 5.914 -4.269 -6.968 1.00 0.00 H HETATM 85 H UNL 1 5.431 -3.000 -8.759 1.00 0.00 H HETATM 86 H UNL 1 2.887 -4.009 -7.707 1.00 0.00 H HETATM 87 H UNL 1 3.551 -4.027 -9.330 1.00 0.00 H HETATM 88 H UNL 1 2.667 -2.599 -8.776 1.00 0.00 H HETATM 89 H UNL 1 5.237 -0.709 -9.671 1.00 0.00 H HETATM 90 H UNL 1 5.949 1.556 -8.926 1.00 0.00 H HETATM 91 H UNL 1 6.881 1.616 -6.603 1.00 0.00 H CONECT 1 2 6 47 CONECT 2 1 3 8 CONECT 3 2 4 48 CONECT 4 3 5 21 CONECT 5 4 6 7 CONECT 6 5 1 30 CONECT 7 5 49 50 51 CONECT 8 2 9 13 CONECT 9 8 10 52 CONECT 10 9 11 53 CONECT 11 10 12 14 CONECT 12 11 13 54 CONECT 13 12 8 55 CONECT 14 11 15 56 57 CONECT 15 14 16 20 CONECT 16 15 17 58 59 CONECT 17 16 18 60 61 CONECT 18 17 19 CONECT 19 18 20 62 63 CONECT 20 19 15 64 65 CONECT 21 4 22 23 CONECT 22 21 25 29 66 CONECT 23 21 24 67 68 CONECT 24 23 69 70 71 CONECT 25 22 26 72 73 CONECT 26 25 27 74 75 CONECT 27 26 28 CONECT 28 27 29 76 77 CONECT 29 28 22 78 79 CONECT 30 6 31 32 CONECT 31 30 33 80 CONECT 32 30 CONECT 33 31 34 81 82 CONECT 34 33 35 39 83 CONECT 35 34 36 41 CONECT 36 35 37 84 CONECT 37 36 38 40 85 CONECT 38 37 39 42 CONECT 39 38 34 45 CONECT 40 37 86 87 88 CONECT 41 35 CONECT 42 38 43 89 CONECT 43 42 44 90 CONECT 44 43 45 91 CONECT 45 44 39 46 CONECT 46 45 CONECT 47 1 CONECT 48 3 CONECT 49 7 CONECT 50 7 CONECT 51 7 CONECT 52 9 CONECT 53 10 CONECT 54 12 CONECT 55 13 CONECT 56 14 CONECT 57 14 CONECT 58 16 CONECT 59 16 CONECT 60 17 CONECT 61 17 CONECT 62 19 CONECT 63 19 CONECT 64 20 CONECT 65 20 CONECT 66 22 CONECT 67 23 CONECT 68 23 CONECT 69 24 CONECT 70 24 CONECT 71 24 CONECT 72 25 CONECT 73 25 CONECT 74 26 CONECT 75 26 CONECT 76 28 CONECT 77 28 CONECT 78 29 CONECT 79 29 CONECT 80 31 CONECT 81 33 CONECT 82 33 CONECT 83 34 CONECT 84 36 CONECT 85 37 CONECT 86 40 CONECT 87 40 CONECT 88 40 CONECT 89 42 CONECT 90 43 CONECT 91 44 MASTER 0 0 0 0 0 0 0 0 91 0 91 0 END M END $$$$