D00CRQ AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 -2.858 -1.856 0.000 1.00 0.00 C HETATM 2 C UNL 1 -2.858 -2.681 0.000 1.00 0.00 C HETATM 3 C UNL 1 -2.143 -3.094 0.000 1.00 0.00 C HETATM 4 C UNL 1 -1.429 -2.681 0.000 1.00 0.00 C HETATM 5 C UNL 1 -1.429 -1.856 0.000 1.00 0.00 C HETATM 6 C UNL 1 -2.143 -1.444 0.000 1.00 0.00 C HETATM 7 C UNL 1 -3.572 -1.444 0.000 1.00 0.00 C HETATM 8 C UNL 1 -0.715 -1.444 0.000 1.00 0.00 C HETATM 9 O UNL 1 0.000 -1.856 0.000 1.00 0.00 O HETATM 10 BR UNL 1 -2.143 -0.619 0.000 1.00 0.00 Br HETATM 11 C UNL 1 -3.572 -0.619 0.000 1.00 0.00 C HETATM 12 C UNL 1 -4.287 -0.206 0.000 1.00 0.00 C HETATM 13 C UNL 1 -5.001 -0.619 0.000 1.00 0.00 C HETATM 14 C UNL 1 -5.001 -1.444 0.000 1.00 0.00 C HETATM 15 C UNL 1 -4.287 -1.856 0.000 1.00 0.00 C HETATM 16 C UNL 1 0.715 -1.444 0.000 1.00 0.00 C HETATM 17 C UNL 1 1.429 -1.856 0.000 1.00 0.00 C HETATM 18 C UNL 1 2.143 -1.444 0.000 1.00 0.00 C HETATM 19 C UNL 1 2.143 -0.619 0.000 1.00 0.00 C HETATM 20 C UNL 1 1.429 -0.206 0.000 1.00 0.00 C HETATM 21 C UNL 1 0.715 -0.619 0.000 1.00 0.00 C HETATM 22 CL UNL 1 1.429 -2.681 0.000 1.00 0.00 Cl HETATM 23 C ACE A 0 2.858 -0.206 0.000 1.00 0.00 C HETATM 24 N UNL 1 3.572 -0.619 0.000 1.00 0.00 N HETATM 25 CA UNL 1 4.287 -0.206 0.000 1.00 0.00 C HETATM 26 CB UNL 1 4.287 0.619 0.000 1.00 0.00 C HETATM 27 O UNL 1 5.001 1.031 0.000 1.00 0.00 O HETATM 28 O UNL 1 1.429 0.619 0.000 1.00 0.00 O HETATM 29 C UNL 1 0.715 1.031 0.000 1.00 0.00 C HETATM 30 C UNL 1 0.715 1.856 0.000 1.00 0.00 C HETATM 31 C UNL 1 0.000 2.269 0.000 1.00 0.00 C HETATM 32 C UNL 1 0.000 3.094 0.000 1.00 0.00 C HETATM 33 C UNL 1 -0.715 1.856 0.000 1.00 0.00 C HETATM 34 C UNL 1 5.001 -1.031 0.000 1.00 0.00 C HETATM 35 O UNL 1 5.001 -0.206 0.000 1.00 0.00 O HETATM 36 OXT UNL 1 4.286 -1.444 0.000 1.00 0.00 O CONECT 1 2 6 7 CONECT 2 1 3 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 6 8 CONECT 6 5 1 10 CONECT 7 1 11 15 CONECT 8 5 9 CONECT 9 8 16 CONECT 10 6 CONECT 11 7 12 CONECT 12 11 13 CONECT 13 12 14 CONECT 14 13 15 CONECT 15 14 7 CONECT 16 9 17 21 CONECT 17 16 18 22 CONECT 18 17 19 CONECT 19 18 20 23 CONECT 20 19 21 28 CONECT 21 20 16 CONECT 22 17 CONECT 23 19 24 CONECT 24 23 25 CONECT 25 24 26 34 CONECT 26 25 27 CONECT 27 26 CONECT 28 20 29 CONECT 29 28 30 CONECT 30 29 31 CONECT 31 30 32 33 CONECT 32 31 CONECT 33 31 CONECT 34 25 35 36 CONECT 35 34 CONECT 36 34 MASTER 0 0 0 0 0 0 0 0 36 0 36 0 END M END $$$$