D0KX0J AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 -4.049 -1.228 0.000 1.00 0.00 C HETATM 2 C UNL 1 -4.049 -2.053 0.000 1.00 0.00 C HETATM 3 C UNL 1 -3.335 -2.466 0.000 1.00 0.00 C HETATM 4 C UNL 1 -2.620 -2.053 0.000 1.00 0.00 C HETATM 5 C UNL 1 -2.620 -1.228 0.000 1.00 0.00 C HETATM 6 C UNL 1 -3.335 -0.816 0.000 1.00 0.00 C HETATM 7 C UNL 1 -1.906 -2.466 0.000 1.00 0.00 C HETATM 8 C UNL 1 -1.191 -2.053 0.000 1.00 0.00 C HETATM 9 C UNL 1 -1.191 -1.228 0.000 1.00 0.00 C HETATM 10 C UNL 1 -1.906 -0.816 0.000 1.00 0.00 C HETATM 11 C UNL 1 -0.477 -0.816 0.000 1.00 0.00 C HETATM 12 C UNL 1 -0.477 0.009 0.000 1.00 0.00 C HETATM 13 C UNL 1 -1.191 0.422 0.000 1.00 0.00 C HETATM 14 C UNL 1 -1.906 0.009 0.000 1.00 0.00 C HETATM 15 C UNL 1 0.237 -1.228 0.000 1.00 0.00 C HETATM 16 C UNL 1 0.952 -0.816 0.000 1.00 0.00 C HETATM 17 C UNL 1 0.952 0.009 0.000 1.00 0.00 C HETATM 18 C UNL 1 0.237 0.422 0.000 1.00 0.00 C HETATM 19 C UNL 1 1.666 0.422 0.000 1.00 0.00 C HETATM 20 C UNL 1 1.666 1.247 0.000 1.00 0.00 C HETATM 21 C UNL 1 0.952 1.659 0.000 1.00 0.00 C HETATM 22 C UNL 1 0.237 1.247 0.000 1.00 0.00 C HETATM 23 O UNL 1 -4.764 -2.466 0.000 1.00 0.00 O HETATM 24 C UNL 1 -2.620 -0.403 0.000 1.00 0.00 C HETATM 25 H UNL 1 -2.620 -2.878 0.000 1.00 0.00 H HETATM 26 O UNL 1 -1.191 1.247 0.000 1.00 0.00 O HETATM 27 C UNL 1 -1.191 -0.403 0.000 1.00 0.00 C HETATM 28 C UNL 1 -0.477 -1.641 0.000 1.00 0.00 C HETATM 29 C UNL 1 1.666 -0.403 0.000 1.00 0.00 C HETATM 30 N UNL 1 2.381 0.009 0.000 1.00 0.00 N HETATM 31 C UNL 1 0.738 2.456 0.000 1.00 0.00 C HETATM 32 C UNL 1 1.165 2.456 0.000 1.00 0.00 C HETATM 33 C UNL 1 -3.549 -3.262 0.000 1.00 0.00 C HETATM 34 C UNL 1 -3.121 -3.262 0.000 1.00 0.00 C HETATM 35 O UNL 1 1.666 -1.228 0.000 1.00 0.00 O HETATM 36 C UNL 1 3.135 -0.326 0.000 1.00 0.00 C HETATM 37 N UNL 1 3.687 0.287 0.000 1.00 0.00 N HETATM 38 C UNL 1 3.274 1.001 0.000 1.00 0.00 C HETATM 39 C UNL 1 2.467 0.830 0.000 1.00 0.00 C HETATM 40 C UNL 1 3.610 1.755 0.000 1.00 0.00 C HETATM 41 C UNL 1 4.430 1.841 0.000 1.00 0.00 C HETATM 42 N UNL 1 4.766 2.595 0.000 1.00 0.00 N HETATM 43 C UNL 1 4.281 3.262 0.000 1.00 0.00 C HETATM 44 C UNL 1 3.460 3.176 0.000 1.00 0.00 C HETATM 45 C UNL 1 3.125 2.423 0.000 1.00 0.00 C HETATM 46 C UNL 1 -4.766 -0.816 0.000 1.00 0.00 C HETATM 47 N UNL 1 -2.329 -0.816 0.000 1.00 0.00 N CONECT 1 2 6 46 CONECT 2 1 3 23 CONECT 3 2 4 33 34 CONECT 4 3 5 7 25 CONECT 5 4 6 10 24 CONECT 6 5 1 CONECT 7 4 8 CONECT 8 7 9 CONECT 9 8 10 11 27 CONECT 10 9 5 14 CONECT 11 9 12 15 28 CONECT 12 11 13 18 CONECT 13 12 14 26 CONECT 14 13 10 CONECT 15 11 16 CONECT 16 15 17 CONECT 17 16 18 19 29 CONECT 18 17 12 22 CONECT 19 17 20 CONECT 20 19 21 CONECT 21 20 22 31 32 CONECT 22 21 18 CONECT 23 2 CONECT 24 5 CONECT 25 4 CONECT 26 13 CONECT 27 9 CONECT 28 11 CONECT 29 17 30 35 CONECT 30 29 36 39 CONECT 31 21 CONECT 32 21 CONECT 33 3 CONECT 34 3 CONECT 35 29 CONECT 36 30 37 CONECT 37 36 38 CONECT 38 37 39 40 CONECT 39 38 30 CONECT 40 38 41 45 CONECT 41 40 42 CONECT 42 41 43 CONECT 43 42 44 CONECT 44 43 45 CONECT 45 44 40 CONECT 46 47 1 CONECT 47 46 MASTER 0 0 0 0 0 0 0 0 47 0 47 0 END M END $$$$