D07PTU AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 0.910 -0.030 0.031 1.00 0.00 C HETATM 2 C UNL 1 -1.971 -1.142 -4.832 1.00 0.00 C HETATM 3 C UNL 1 -1.251 -0.864 -3.617 1.00 0.00 C HETATM 4 C UNL 1 -1.718 -0.181 -1.902 1.00 0.00 C HETATM 5 C UNL 1 -1.075 0.427 -0.296 1.00 0.00 C HETATM 6 C UNL 1 0.219 0.666 0.837 1.00 0.00 C HETATM 7 C UNL 1 2.321 -0.077 -0.503 1.00 0.00 C HETATM 8 N UNL 1 3.048 0.177 0.874 1.00 0.00 N HETATM 9 S UNL 1 4.737 0.128 0.977 1.00 0.00 S HETATM 10 C UNL 1 5.105 0.591 2.717 1.00 0.00 C HETATM 11 C UNL 1 6.628 0.648 2.959 1.00 0.00 C HETATM 12 O UNL 1 5.115 -1.219 0.787 1.00 0.00 O HETATM 13 O UNL 1 5.226 1.204 0.114 1.00 0.00 O HETATM 14 C UNL 1 0.277 -0.937 -3.640 1.00 0.00 C HETATM 15 C UNL 1 0.776 -2.077 -2.767 1.00 0.00 C HETATM 16 N UNL 1 -3.495 0.387 -1.735 1.00 0.00 N HETATM 17 C UNL 1 -4.560 0.413 -0.514 1.00 0.00 C HETATM 18 C UNL 1 -5.973 1.330 -0.388 1.00 0.00 C HETATM 19 C UNL 1 -7.166 1.055 0.701 1.00 0.00 C HETATM 20 C UNL 1 -6.847 -0.122 1.397 1.00 0.00 C HETATM 21 C UNL 1 -5.457 -0.351 1.597 1.00 0.00 C HETATM 22 N UNL 1 -4.570 -0.455 0.499 1.00 0.00 N HETATM 23 N UNL 1 -8.671 1.082 0.912 1.00 0.00 N HETATM 24 C UNL 1 -8.943 -0.300 0.974 1.00 0.00 C HETATM 25 N UNL 1 -7.950 -0.951 1.505 1.00 0.00 N HETATM 26 C UNL 1 -9.626 1.699 1.925 1.00 0.00 C HETATM 27 H UNL 1 -2.487 -1.341 -5.704 1.00 0.00 H HETATM 28 H UNL 1 -1.987 0.832 0.231 1.00 0.00 H HETATM 29 H UNL 1 0.437 1.736 0.976 1.00 0.00 H HETATM 30 H UNL 1 2.572 0.733 -1.187 1.00 0.00 H HETATM 31 H UNL 1 2.603 -1.078 -0.833 1.00 0.00 H HETATM 32 H UNL 1 2.668 -0.477 1.570 1.00 0.00 H HETATM 33 H UNL 1 4.675 -0.153 3.392 1.00 0.00 H HETATM 34 H UNL 1 4.676 1.577 2.962 1.00 0.00 H HETATM 35 H UNL 1 7.092 -0.315 2.727 1.00 0.00 H HETATM 36 H UNL 1 6.873 0.892 4.000 1.00 0.00 H HETATM 37 H UNL 1 7.092 1.405 2.321 1.00 0.00 H HETATM 38 H UNL 1 0.672 0.024 -3.293 1.00 0.00 H HETATM 39 H UNL 1 0.632 -1.074 -4.667 1.00 0.00 H HETATM 40 H UNL 1 0.396 -2.004 -1.744 1.00 0.00 H HETATM 41 H UNL 1 1.866 -2.070 -2.730 1.00 0.00 H HETATM 42 H UNL 1 0.450 -3.044 -3.156 1.00 0.00 H HETATM 43 H UNL 1 -3.917 -0.289 -2.369 1.00 0.00 H HETATM 44 H UNL 1 -6.085 2.273 -0.934 1.00 0.00 H HETATM 45 H UNL 1 -5.055 0.476 2.222 1.00 0.00 H HETATM 46 H UNL 1 -10.001 -0.663 0.995 1.00 0.00 H HETATM 47 H UNL 1 -9.365 2.683 2.306 1.00 0.00 H HETATM 48 H UNL 1 -9.771 1.013 2.794 1.00 0.00 H HETATM 49 H UNL 1 -10.645 1.730 1.479 1.00 0.00 H CONECT 1 2 6 7 CONECT 2 1 3 27 CONECT 3 2 4 14 CONECT 4 3 5 16 CONECT 5 4 6 28 CONECT 6 5 1 29 CONECT 7 1 8 30 31 CONECT 8 7 9 32 CONECT 9 8 10 12 13 CONECT 10 9 11 33 34 CONECT 11 10 35 36 37 CONECT 12 9 CONECT 13 9 CONECT 14 3 15 38 39 CONECT 15 14 40 41 42 CONECT 16 4 17 43 CONECT 17 16 18 22 CONECT 18 17 19 44 CONECT 19 18 20 23 CONECT 20 19 21 25 CONECT 21 20 22 45 CONECT 22 21 17 CONECT 23 19 24 26 CONECT 24 23 25 46 CONECT 25 24 20 CONECT 26 23 47 48 49 CONECT 27 2 CONECT 28 5 CONECT 29 6 CONECT 30 7 CONECT 31 7 CONECT 32 8 CONECT 33 10 CONECT 34 10 CONECT 35 11 CONECT 36 11 CONECT 37 11 CONECT 38 14 CONECT 39 14 CONECT 40 15 CONECT 41 15 CONECT 42 15 CONECT 43 16 CONECT 44 18 CONECT 45 21 CONECT 46 24 CONECT 47 26 CONECT 48 26 CONECT 49 26 MASTER 0 0 0 0 0 0 0 0 49 0 49 0 END M END $$$$