D09IGN AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 -2.263 0.373 0.000 1.00 0.00 C HETATM 2 C UNL 1 -2.263 -0.452 0.000 1.00 0.00 C HETATM 3 C UNL 1 -1.478 -0.707 0.000 1.00 0.00 C HETATM 4 C UNL 1 -0.994 -0.040 0.000 1.00 0.00 C HETATM 5 N UNL 1 -1.478 0.628 0.000 1.00 0.00 N HETATM 6 C UNL 1 -0.169 -0.040 0.000 1.00 0.00 C HETATM 7 C UNL 1 -2.931 -0.937 0.000 1.00 0.00 C HETATM 8 C UNL 1 0.244 -0.754 0.000 1.00 0.00 C HETATM 9 C UNL 1 1.069 -0.754 0.000 1.00 0.00 C HETATM 10 C UNL 1 1.481 -0.040 0.000 1.00 0.00 C HETATM 11 C UNL 1 1.069 0.675 0.000 1.00 0.00 C HETATM 12 C UNL 1 0.244 0.675 0.000 1.00 0.00 C HETATM 13 C UNL 1 1.481 -1.469 0.000 1.00 0.00 C HETATM 14 C UNL 1 2.306 -1.469 0.000 1.00 0.00 C HETATM 15 C UNL 1 2.719 -0.754 0.000 1.00 0.00 C HETATM 16 C UNL 1 2.306 -0.040 0.000 1.00 0.00 C HETATM 17 C UNL 1 -3.684 -0.602 0.000 1.00 0.00 C HETATM 18 C UNL 1 -4.352 -1.087 0.000 1.00 0.00 C HETATM 19 C UNL 1 -4.266 -1.907 0.000 1.00 0.00 C HETATM 20 C UNL 1 -3.512 -2.243 0.000 1.00 0.00 C HETATM 21 C UNL 1 -2.844 -1.758 0.000 1.00 0.00 C HETATM 22 CL UNL 1 -5.105 -0.751 0.000 1.00 0.00 Cl HETATM 23 CL UNL 1 -3.426 -3.063 0.000 1.00 0.00 Cl HETATM 24 O UNL 1 3.544 -0.754 0.000 1.00 0.00 O HETATM 25 C UNL 1 3.956 -1.469 0.000 1.00 0.00 C HETATM 26 S UNL 1 -1.224 1.412 0.000 1.00 0.00 S HETATM 27 C UNL 1 -0.427 1.626 0.000 1.00 0.00 C HETATM 28 C UNL 1 0.157 1.042 0.000 1.00 0.00 C HETATM 29 C UNL 1 0.954 1.256 0.000 1.00 0.00 C HETATM 30 C UNL 1 1.167 2.053 0.000 1.00 0.00 C HETATM 31 C UNL 1 0.584 2.636 0.000 1.00 0.00 C HETATM 32 C UNL 1 -0.213 2.423 0.000 1.00 0.00 C HETATM 33 C UNL 1 1.964 2.266 0.000 1.00 0.00 C HETATM 34 O UNL 1 2.178 3.063 0.000 1.00 0.00 O HETATM 35 N UNL 1 2.547 1.683 0.000 1.00 0.00 N HETATM 36 C UNL 1 3.344 1.897 0.000 1.00 0.00 C HETATM 37 C UNL 1 3.928 1.313 0.000 1.00 0.00 C HETATM 38 O UNL 1 -2.049 1.412 0.000 1.00 0.00 O HETATM 39 O UNL 1 -1.437 2.209 0.000 1.00 0.00 O HETATM 40 C UNL 1 4.693 1.504 0.000 1.00 0.00 C HETATM 41 O UNL 1 5.105 2.219 0.000 1.00 0.00 O HETATM 42 O UNL 1 5.105 0.790 0.000 1.00 0.00 O CONECT 1 2 5 CONECT 2 1 3 7 CONECT 3 2 4 CONECT 4 3 5 6 CONECT 5 4 1 26 CONECT 6 4 8 12 CONECT 7 2 17 21 CONECT 8 6 9 CONECT 9 8 10 13 CONECT 10 9 11 16 CONECT 11 10 12 CONECT 12 11 6 CONECT 13 9 14 CONECT 14 13 15 CONECT 15 14 16 24 CONECT 16 15 10 CONECT 17 7 18 CONECT 18 17 19 22 CONECT 19 18 20 CONECT 20 19 21 23 CONECT 21 20 7 CONECT 22 18 CONECT 23 20 CONECT 24 15 25 CONECT 25 24 CONECT 26 5 27 38 39 CONECT 27 26 28 32 CONECT 28 27 29 CONECT 29 28 30 CONECT 30 29 31 33 CONECT 31 30 32 CONECT 32 31 27 CONECT 33 30 34 35 CONECT 34 33 CONECT 35 33 36 CONECT 36 35 37 CONECT 37 36 40 CONECT 38 26 CONECT 39 26 CONECT 40 37 41 42 CONECT 41 40 CONECT 42 40 MASTER 0 0 0 0 0 0 0 0 42 0 42 0 END M END $$$$