D0B2VS AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 -3.983 -0.825 0.000 1.00 0.00 C HETATM 2 C UNL 1 -3.983 -1.650 0.000 1.00 0.00 C HETATM 3 C UNL 1 -3.269 -2.062 0.000 1.00 0.00 C HETATM 4 C UNL 1 -2.554 -1.650 0.000 1.00 0.00 C HETATM 5 C UNL 1 -2.554 -0.825 0.000 1.00 0.00 C HETATM 6 C UNL 1 -3.269 -0.412 0.000 1.00 0.00 C HETATM 7 C UNL 1 -4.698 -0.412 0.000 1.00 0.00 C HETATM 8 C UNL 1 -1.840 -0.412 0.000 1.00 0.00 C HETATM 9 O UNL 1 -1.126 -0.825 0.000 1.00 0.00 O HETATM 10 C UNL 1 -0.411 -0.412 0.000 1.00 0.00 C HETATM 11 BR UNL 1 -3.269 0.412 0.000 1.00 0.00 Br HETATM 12 C UNL 1 0.303 -0.825 0.000 1.00 0.00 C HETATM 13 C UNL 1 1.018 -0.412 0.000 1.00 0.00 C HETATM 14 C UNL 1 1.018 0.412 0.000 1.00 0.00 C HETATM 15 C UNL 1 0.303 0.825 0.000 1.00 0.00 C HETATM 16 C UNL 1 -0.411 0.412 0.000 1.00 0.00 C HETATM 17 C UNL 1 -4.698 0.412 0.000 1.00 0.00 C HETATM 18 C UNL 1 -5.412 0.825 0.000 1.00 0.00 C HETATM 19 C UNL 1 -6.127 0.412 0.000 1.00 0.00 C HETATM 20 C UNL 1 -6.127 -0.412 0.000 1.00 0.00 C HETATM 21 C UNL 1 -5.412 -0.825 0.000 1.00 0.00 C HETATM 22 CL UNL 1 -1.126 0.825 0.000 1.00 0.00 Cl HETATM 23 C ACE A 0 1.732 0.825 0.000 1.00 0.00 C HETATM 24 O UNL 1 1.732 -0.825 0.000 1.00 0.00 O HETATM 25 C UNL 1 2.447 -0.412 0.000 1.00 0.00 C HETATM 26 N UNL 1 2.447 0.412 0.000 1.00 0.00 N HETATM 27 C UNL 1 3.161 -0.825 0.000 1.00 0.00 C HETATM 28 CA UNL 1 3.161 0.825 0.000 1.00 0.00 C HETATM 29 CB UNL 1 3.161 1.650 0.000 1.00 0.00 C HETATM 30 O UNL 1 2.447 2.062 0.000 1.00 0.00 O HETATM 31 C UNL 1 3.161 -1.650 0.000 1.00 0.00 C HETATM 32 C UNL 1 3.876 -2.062 0.000 1.00 0.00 C HETATM 33 C UNL 1 4.590 -1.650 0.000 1.00 0.00 C HETATM 34 C UNL 1 4.590 -0.825 0.000 1.00 0.00 C HETATM 35 C UNL 1 3.876 -0.412 0.000 1.00 0.00 C HETATM 36 C UNL 1 5.302 -0.412 0.000 1.00 0.00 C HETATM 37 N UNL 1 6.127 -0.412 0.000 1.00 0.00 N HETATM 38 C UNL 1 3.875 0.000 0.000 1.00 0.00 C HETATM 39 O UNL 1 3.875 0.825 0.000 1.00 0.00 O HETATM 40 OXT UNL 1 3.161 -0.412 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 11 CONECT 7 1 17 21 CONECT 8 5 9 CONECT 9 8 10 CONECT 10 9 12 16 CONECT 11 6 CONECT 12 10 13 CONECT 13 12 14 24 CONECT 14 13 15 23 CONECT 15 14 16 CONECT 16 15 10 22 CONECT 17 7 18 CONECT 18 17 19 CONECT 19 18 20 CONECT 20 19 21 CONECT 21 20 7 CONECT 22 16 CONECT 23 14 26 CONECT 24 13 25 CONECT 25 24 27 CONECT 26 23 28 CONECT 27 25 31 35 CONECT 28 26 29 38 CONECT 29 28 30 CONECT 30 29 CONECT 31 27 32 CONECT 32 31 33 CONECT 33 32 34 CONECT 34 33 35 36 CONECT 35 34 27 CONECT 36 34 37 CONECT 37 36 CONECT 38 28 39 40 CONECT 39 38 CONECT 40 38 MASTER 0 0 0 0 0 0 0 0 40 0 40 0 END M END $$$$