D0AY4N AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 N UNL 1 -0.270 3.855 3.359 1.00 0.00 N HETATM 2 C UNL 1 0.241 3.608 4.742 1.00 0.00 C HETATM 3 N UNL 1 0.195 4.580 5.622 1.00 0.00 N HETATM 4 C UNL 1 -0.402 5.493 4.995 1.00 0.00 C HETATM 5 C UNL 1 0.339 5.878 3.839 1.00 0.00 C HETATM 6 C UNL 1 -0.304 5.234 2.899 1.00 0.00 C HETATM 7 C UNL 1 -1.383 6.377 2.367 1.00 0.00 C HETATM 8 C UNL 1 -2.080 6.489 1.161 1.00 0.00 C HETATM 9 C UNL 1 -2.862 7.669 0.859 1.00 0.00 C HETATM 10 C UNL 1 -3.012 8.734 1.754 1.00 0.00 C HETATM 11 C UNL 1 -2.391 8.685 2.960 1.00 0.00 C HETATM 12 C UNL 1 -1.571 7.583 3.205 1.00 0.00 C HETATM 13 F UNL 1 -3.733 9.823 1.440 1.00 0.00 F HETATM 14 C UNL 1 1.825 6.015 3.521 1.00 0.00 C HETATM 15 C UNL 1 2.387 6.116 2.269 1.00 0.00 C HETATM 16 C UNL 1 3.655 6.918 1.886 1.00 0.00 C HETATM 17 C UNL 1 -2.159 5.219 4.885 1.00 0.00 C HETATM 18 C UNL 1 -2.927 4.374 3.740 1.00 0.00 C HETATM 19 C UNL 1 -2.859 4.688 6.150 1.00 0.00 C HETATM 20 N UNL 1 0.491 2.382 5.490 1.00 0.00 N HETATM 21 C UNL 1 -0.280 2.282 6.768 1.00 0.00 C HETATM 22 S UNL 1 2.102 1.900 5.774 1.00 0.00 S HETATM 23 C UNL 1 2.927 2.735 7.180 1.00 0.00 C HETATM 24 O UNL 1 2.025 0.510 6.177 1.00 0.00 O HETATM 25 O UNL 1 2.847 2.247 4.578 1.00 0.00 O HETATM 26 O UNL 1 3.958 7.757 2.968 1.00 0.00 O HETATM 27 C UNL 1 4.947 7.275 3.847 1.00 0.00 C HETATM 28 C UNL 1 6.308 7.351 3.166 1.00 0.00 C HETATM 29 C UNL 1 6.306 6.574 1.839 1.00 0.00 C HETATM 30 C UNL 1 4.950 6.580 1.071 1.00 0.00 C HETATM 31 O UNL 1 4.893 8.043 5.055 1.00 0.00 O HETATM 32 C UNL 1 4.399 9.370 4.846 1.00 0.00 C HETATM 33 O UNL 1 7.498 6.878 0.989 1.00 0.00 O HETATM 34 C UNL 1 7.708 8.116 0.450 1.00 0.00 C HETATM 35 C UNL 1 8.981 8.266 -0.341 1.00 0.00 C HETATM 36 O UNL 1 6.937 9.058 0.585 1.00 0.00 O HETATM 37 C UNL 1 9.265 9.490 -0.951 1.00 0.00 C HETATM 38 N UNL 1 10.370 9.743 -1.721 1.00 0.00 N HETATM 39 C UNL 1 11.277 8.753 -1.832 1.00 0.00 C HETATM 40 C UNL 1 11.125 7.526 -1.205 1.00 0.00 C HETATM 41 C UNL 1 9.945 7.265 -0.489 1.00 0.00 C HETATM 42 H UNL 1 -2.030 5.720 0.397 1.00 0.00 H HETATM 43 H UNL 1 -3.355 7.786 -0.103 1.00 0.00 H HETATM 44 H UNL 1 -2.494 9.481 3.698 1.00 0.00 H HETATM 45 H UNL 1 -1.078 7.689 4.174 1.00 0.00 H HETATM 46 H UNL 1 2.433 6.158 4.406 1.00 0.00 H HETATM 47 H UNL 1 1.765 5.930 1.387 1.00 0.00 H HETATM 48 H UNL 1 3.173 7.609 1.177 1.00 0.00 H HETATM 49 H UNL 1 -2.563 6.231 4.826 1.00 0.00 H HETATM 50 H UNL 1 -3.183 3.355 4.059 1.00 0.00 H HETATM 51 H UNL 1 -2.467 4.227 2.762 1.00 0.00 H HETATM 52 H UNL 1 -3.882 4.870 3.514 1.00 0.00 H HETATM 53 H UNL 1 -2.883 3.593 6.177 1.00 0.00 H HETATM 54 H UNL 1 -3.925 4.962 6.098 1.00 0.00 H HETATM 55 H UNL 1 -2.441 5.081 7.072 1.00 0.00 H HETATM 56 H UNL 1 -1.243 2.765 6.684 1.00 0.00 H HETATM 57 H UNL 1 0.228 2.772 7.611 1.00 0.00 H HETATM 58 H UNL 1 -0.472 1.241 7.026 1.00 0.00 H HETATM 59 H UNL 1 2.559 2.366 8.143 1.00 0.00 H HETATM 60 H UNL 1 2.920 3.823 7.126 1.00 0.00 H HETATM 61 H UNL 1 3.984 2.420 7.136 1.00 0.00 H HETATM 62 H UNL 1 4.747 6.235 4.139 1.00 0.00 H HETATM 63 H UNL 1 7.076 6.938 3.835 1.00 0.00 H HETATM 64 H UNL 1 6.596 8.395 3.018 1.00 0.00 H HETATM 65 H UNL 1 6.475 5.523 2.110 1.00 0.00 H HETATM 66 H UNL 1 4.843 5.676 0.460 1.00 0.00 H HETATM 67 H UNL 1 5.050 7.384 0.327 1.00 0.00 H HETATM 68 H UNL 1 4.262 9.851 5.815 1.00 0.00 H HETATM 69 H UNL 1 3.412 9.375 4.363 1.00 0.00 H HETATM 70 H UNL 1 5.108 9.948 4.247 1.00 0.00 H HETATM 71 H UNL 1 8.598 10.343 -0.866 1.00 0.00 H HETATM 72 H UNL 1 12.147 8.974 -2.449 1.00 0.00 H HETATM 73 H UNL 1 11.919 6.787 -1.274 1.00 0.00 H HETATM 74 H UNL 1 9.800 6.281 -0.056 1.00 0.00 H CONECT 1 2 6 CONECT 2 1 3 20 CONECT 3 2 4 CONECT 4 3 5 17 CONECT 5 4 6 14 CONECT 6 5 1 7 CONECT 7 6 8 12 CONECT 8 7 9 42 CONECT 9 8 10 43 CONECT 10 9 11 13 CONECT 11 10 12 44 CONECT 12 11 7 45 CONECT 13 10 CONECT 14 5 15 46 CONECT 15 14 16 47 CONECT 16 30 26 15 48 CONECT 17 4 18 19 49 CONECT 18 17 50 51 52 CONECT 19 17 53 54 55 CONECT 20 2 21 22 CONECT 21 20 56 57 58 CONECT 22 20 23 24 25 CONECT 23 22 59 60 61 CONECT 24 22 CONECT 25 22 CONECT 26 27 16 CONECT 27 26 28 31 62 CONECT 28 27 29 63 64 CONECT 29 28 30 33 65 CONECT 30 29 16 66 67 CONECT 31 27 32 CONECT 32 31 68 69 70 CONECT 33 29 34 CONECT 34 33 35 36 CONECT 35 34 37 41 CONECT 36 34 CONECT 37 35 38 71 CONECT 38 37 39 CONECT 39 38 40 72 CONECT 40 39 41 73 CONECT 41 40 35 74 CONECT 42 8 CONECT 43 9 CONECT 44 11 CONECT 45 12 CONECT 46 14 CONECT 47 15 CONECT 48 16 CONECT 49 17 CONECT 50 18 CONECT 51 18 CONECT 52 18 CONECT 53 19 CONECT 54 19 CONECT 55 19 CONECT 56 21 CONECT 57 21 CONECT 58 21 CONECT 59 23 CONECT 60 23 CONECT 61 23 CONECT 62 27 CONECT 63 28 CONECT 64 28 CONECT 65 29 CONECT 66 30 CONECT 67 30 CONECT 68 32 CONECT 69 32 CONECT 70 32 CONECT 71 37 CONECT 72 39 CONECT 73 40 CONECT 74 41 MASTER 0 0 0 0 0 0 0 0 74 0 74 0 END M END $$$$