D0QT3C AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.439 1.365 1.294 1.00 0.00 C HETATM 2 C UNL 1 2.686 1.560 1.932 1.00 0.00 C HETATM 3 C UNL 1 2.863 2.435 3.022 1.00 0.00 C HETATM 4 C UNL 1 1.656 3.005 3.485 1.00 0.00 C HETATM 5 C UNL 1 0.378 2.605 2.985 1.00 0.00 C HETATM 6 C UNL 1 0.244 1.736 1.890 1.00 0.00 C HETATM 7 C UNL 1 4.250 2.757 3.575 1.00 0.00 C HETATM 8 C UNL 1 4.504 3.543 4.713 1.00 0.00 C HETATM 9 C UNL 1 5.830 3.821 5.154 1.00 0.00 C HETATM 10 C UNL 1 6.920 3.293 4.469 1.00 0.00 C HETATM 11 N UNL 1 6.747 2.541 3.373 1.00 0.00 N HETATM 12 C UNL 1 5.444 2.311 2.969 1.00 0.00 C HETATM 13 O UNL 1 8.202 3.670 4.888 1.00 0.00 O HETATM 14 C UNL 1 9.305 2.872 4.379 1.00 0.00 C HETATM 15 C UNL 1 10.706 3.485 4.727 1.00 0.00 C HETATM 16 C UNL 1 10.931 4.845 4.059 1.00 0.00 C HETATM 17 O UNL 1 9.853 5.634 3.908 1.00 0.00 O HETATM 18 O UNL 1 12.054 5.258 3.753 1.00 0.00 O HETATM 19 C UNL 1 10.926 3.657 6.240 1.00 0.00 C HETATM 20 C UNL 1 11.830 2.543 4.210 1.00 0.00 C HETATM 21 C UNL 1 -1.089 1.204 1.491 1.00 0.00 C HETATM 22 N UNL 1 -1.345 0.133 0.636 1.00 0.00 N HETATM 23 C UNL 1 -2.686 -0.215 0.728 1.00 0.00 C HETATM 24 C UNL 1 -3.207 0.728 1.605 1.00 0.00 C HETATM 25 N UNL 1 -2.232 1.592 2.037 1.00 0.00 N HETATM 26 C UNL 1 -3.477 -1.229 0.156 1.00 0.00 C HETATM 27 C UNL 1 -4.836 -1.273 0.524 1.00 0.00 C HETATM 28 C UNL 1 -5.366 -0.332 1.406 1.00 0.00 C HETATM 29 C UNL 1 -4.567 0.678 1.949 1.00 0.00 C HETATM 30 CL UNL 1 -7.034 -0.412 1.842 1.00 0.00 Cl HETATM 31 F UNL 1 1.451 0.924 0.025 1.00 0.00 F HETATM 32 H UNL 1 3.516 0.986 1.533 1.00 0.00 H HETATM 33 H UNL 1 1.655 3.770 4.259 1.00 0.00 H HETATM 34 H UNL 1 -0.524 3.006 3.452 1.00 0.00 H HETATM 35 H UNL 1 3.685 3.976 5.285 1.00 0.00 H HETATM 36 H UNL 1 5.988 4.447 6.028 1.00 0.00 H HETATM 37 H UNL 1 5.412 1.726 2.054 1.00 0.00 H HETATM 38 H UNL 1 9.229 2.776 3.290 1.00 0.00 H HETATM 39 H UNL 1 9.235 1.877 4.832 1.00 0.00 H HETATM 40 H UNL 1 9.030 5.223 4.244 1.00 0.00 H HETATM 41 H UNL 1 10.182 4.321 6.690 1.00 0.00 H HETATM 42 H UNL 1 11.913 4.094 6.448 1.00 0.00 H HETATM 43 H UNL 1 10.893 2.690 6.757 1.00 0.00 H HETATM 44 H UNL 1 11.788 2.428 3.121 1.00 0.00 H HETATM 45 H UNL 1 11.773 1.550 4.668 1.00 0.00 H HETATM 46 H UNL 1 12.828 2.942 4.444 1.00 0.00 H HETATM 47 H UNL 1 -0.653 -0.364 0.094 1.00 0.00 H HETATM 48 H UNL 1 -3.075 -1.974 -0.529 1.00 0.00 H HETATM 49 H UNL 1 -5.482 -2.052 0.119 1.00 0.00 H HETATM 50 H UNL 1 -4.968 1.406 2.641 1.00 0.00 H CONECT 1 2 6 31 CONECT 2 1 3 32 CONECT 3 2 4 7 CONECT 4 3 5 33 CONECT 5 4 6 34 CONECT 6 5 1 21 CONECT 7 3 8 12 CONECT 8 7 9 35 CONECT 9 8 10 36 CONECT 10 9 11 13 CONECT 11 10 12 CONECT 12 11 7 37 CONECT 13 10 14 CONECT 14 13 15 38 39 CONECT 15 14 16 19 20 CONECT 16 15 17 18 CONECT 17 16 40 CONECT 18 16 CONECT 19 15 41 42 43 CONECT 20 15 44 45 46 CONECT 21 6 22 25 CONECT 22 21 23 47 CONECT 23 22 24 26 CONECT 24 23 25 29 CONECT 25 24 21 CONECT 26 23 27 48 CONECT 27 26 28 49 CONECT 28 27 29 30 CONECT 29 28 24 50 CONECT 30 28 CONECT 31 1 CONECT 32 2 CONECT 33 4 CONECT 34 5 CONECT 35 8 CONECT 36 9 CONECT 37 12 CONECT 38 14 CONECT 39 14 CONECT 40 17 CONECT 41 19 CONECT 42 19 CONECT 43 19 CONECT 44 20 CONECT 45 20 CONECT 46 20 CONECT 47 22 CONECT 48 26 CONECT 49 27 CONECT 50 29 MASTER 0 0 0 0 0 0 0 0 50 0 50 0 END M END $$$$