D08-Sep AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 -2.143 0.825 0.000 1.00 0.00 C HETATM 2 C UNL 1 -2.143 0.000 0.000 1.00 0.00 C HETATM 3 C UNL 1 -1.429 -0.412 0.000 1.00 0.00 C HETATM 4 C UNL 1 -0.715 0.000 0.000 1.00 0.00 C HETATM 5 C UNL 1 -0.715 0.825 0.000 1.00 0.00 C HETATM 6 C UNL 1 -1.429 1.238 0.000 1.00 0.00 C HETATM 7 C UNL 1 0.000 -0.412 0.000 1.00 0.00 C HETATM 8 C UNL 1 0.715 0.000 0.000 1.00 0.00 C HETATM 9 C UNL 1 0.715 0.825 0.000 1.00 0.00 C HETATM 10 C UNL 1 0.000 1.238 0.000 1.00 0.00 C HETATM 11 C UNL 1 1.429 -0.412 0.000 1.00 0.00 C HETATM 12 C UNL 1 2.143 0.000 0.000 1.00 0.00 C HETATM 13 C UNL 1 2.143 0.825 0.000 1.00 0.00 C HETATM 14 C UNL 1 1.429 1.238 0.000 1.00 0.00 C HETATM 15 O UNL 1 0.000 2.062 0.000 1.00 0.00 O HETATM 16 O UNL 1 0.000 -1.238 0.000 1.00 0.00 O HETATM 17 O UNL 1 1.429 2.062 0.000 1.00 0.00 O HETATM 18 S UNL 1 -1.429 -1.238 0.000 1.00 0.00 S HETATM 19 N UNL 1 -2.143 -1.650 0.000 1.00 0.00 N HETATM 20 O UNL 1 -1.429 -2.062 0.000 1.00 0.00 O HETATM 21 O UNL 1 -0.715 -1.650 0.000 1.00 0.00 O CONECT 1 2 6 CONECT 2 1 3 CONECT 3 2 4 18 CONECT 4 3 5 7 CONECT 5 4 6 10 CONECT 6 5 1 CONECT 7 4 8 16 CONECT 8 7 9 11 CONECT 9 8 10 14 CONECT 10 9 5 15 CONECT 11 8 12 CONECT 12 11 13 CONECT 13 12 14 CONECT 14 13 9 17 CONECT 15 10 CONECT 16 7 CONECT 17 14 CONECT 18 3 19 20 21 CONECT 19 18 CONECT 20 18 CONECT 21 18 MASTER 0 0 0 0 0 0 0 0 21 0 21 0 END M END $$$$