D04NKE AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 6.889 -0.169 -5.451 1.00 0.00 C HETATM 2 C UNL 1 8.221 -0.566 -5.545 1.00 0.00 C HETATM 3 C UNL 1 9.293 0.355 -5.338 1.00 0.00 C HETATM 4 C UNL 1 9.052 1.694 -5.048 1.00 0.00 C HETATM 5 C UNL 1 7.671 2.006 -4.833 1.00 0.00 C HETATM 6 C UNL 1 6.593 1.117 -5.051 1.00 0.00 C HETATM 7 N UNL 1 9.879 2.807 -5.485 1.00 0.00 N HETATM 8 C UNL 1 9.131 3.804 -6.153 1.00 0.00 C HETATM 9 C UNL 1 7.792 4.034 -5.753 1.00 0.00 C HETATM 10 O UNL 1 7.312 3.346 -4.652 1.00 0.00 O HETATM 11 C UNL 1 9.510 4.124 -7.453 1.00 0.00 C HETATM 12 C UNL 1 8.571 4.726 -8.273 1.00 0.00 C HETATM 13 C UNL 1 7.226 4.559 -7.970 1.00 0.00 C HETATM 14 C UNL 1 6.824 4.449 -6.651 1.00 0.00 C HETATM 15 C UNL 1 11.247 3.270 -5.026 1.00 0.00 C HETATM 16 C UNL 1 12.272 4.115 -5.999 1.00 0.00 C HETATM 17 O UNL 1 12.477 5.481 -6.486 1.00 0.00 O HETATM 18 C UNL 1 12.194 6.790 -6.228 1.00 0.00 C HETATM 19 C UNL 1 12.894 7.848 -6.884 1.00 0.00 C HETATM 20 C UNL 1 12.530 9.265 -6.813 1.00 0.00 C HETATM 21 C UNL 1 11.463 9.652 -6.000 1.00 0.00 C HETATM 22 C UNL 1 10.830 8.581 -5.316 1.00 0.00 C HETATM 23 C UNL 1 11.215 7.202 -5.357 1.00 0.00 C HETATM 24 N UNL 1 10.845 10.906 -5.788 1.00 0.00 N HETATM 25 C UNL 1 10.836 12.229 -5.945 1.00 0.00 C HETATM 26 N UNL 1 11.722 13.068 -6.447 1.00 0.00 N HETATM 27 S UNL 1 9.467 12.997 -5.314 1.00 0.00 S HETATM 28 C UNL 1 13.022 12.971 -7.040 1.00 0.00 C HETATM 29 H UNL 1 6.069 -0.848 -5.738 1.00 0.00 H HETATM 30 H UNL 1 8.424 -1.581 -5.859 1.00 0.00 H HETATM 31 H UNL 1 10.297 0.006 -5.549 1.00 0.00 H HETATM 32 H UNL 1 5.564 1.474 -5.043 1.00 0.00 H HETATM 33 H UNL 1 10.368 3.637 -7.885 1.00 0.00 H HETATM 34 H UNL 1 8.864 5.791 -8.414 1.00 0.00 H HETATM 35 H UNL 1 6.659 3.926 -8.658 1.00 0.00 H HETATM 36 H UNL 1 5.773 4.301 -6.405 1.00 0.00 H HETATM 37 H UNL 1 11.799 2.331 -4.847 1.00 0.00 H HETATM 38 H UNL 1 11.171 3.774 -4.057 1.00 0.00 H HETATM 39 H UNL 1 12.312 3.540 -6.930 1.00 0.00 H HETATM 40 H UNL 1 13.243 3.917 -5.531 1.00 0.00 H HETATM 41 H UNL 1 13.681 7.595 -7.581 1.00 0.00 H HETATM 42 H UNL 1 13.092 9.991 -7.415 1.00 0.00 H HETATM 43 H UNL 1 9.979 8.812 -4.663 1.00 0.00 H HETATM 44 H UNL 1 10.663 6.481 -4.730 1.00 0.00 H HETATM 45 H UNL 1 9.959 10.744 -5.292 1.00 0.00 H HETATM 46 H UNL 1 11.401 14.029 -6.344 1.00 0.00 H HETATM 47 H UNL 1 13.364 11.950 -7.087 1.00 0.00 H HETATM 48 H UNL 1 13.708 13.579 -6.441 1.00 0.00 H HETATM 49 H UNL 1 12.958 13.418 -8.037 1.00 0.00 H CONECT 1 2 6 29 CONECT 2 1 3 30 CONECT 3 2 4 31 CONECT 4 3 5 7 CONECT 5 4 6 10 CONECT 6 5 1 32 CONECT 7 4 8 15 CONECT 8 7 9 11 CONECT 9 8 10 14 CONECT 10 9 5 CONECT 11 8 12 33 CONECT 12 11 13 34 CONECT 13 12 14 35 CONECT 14 13 9 36 CONECT 15 7 16 37 38 CONECT 16 15 17 39 40 CONECT 17 16 18 CONECT 18 17 19 23 CONECT 19 18 20 41 CONECT 20 19 21 42 CONECT 21 20 22 24 CONECT 22 21 23 43 CONECT 23 22 18 44 CONECT 24 21 25 45 CONECT 25 24 26 27 CONECT 26 25 28 46 CONECT 27 25 CONECT 28 26 47 48 49 CONECT 29 1 CONECT 30 2 CONECT 31 3 CONECT 32 6 CONECT 33 11 CONECT 34 12 CONECT 35 13 CONECT 36 14 CONECT 37 15 CONECT 38 15 CONECT 39 16 CONECT 40 16 CONECT 41 19 CONECT 42 20 CONECT 43 22 CONECT 44 23 CONECT 45 24 CONECT 46 26 CONECT 47 28 CONECT 48 28 CONECT 49 28 MASTER 0 0 0 0 0 0 0 0 49 0 49 0 END $$$$