D03PQS AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 N UNL 1 0.148 0.235 0.000 1.00 0.00 N HETATM 2 C UNL 1 0.862 0.648 0.000 1.00 0.00 C HETATM 3 C UNL 1 1.577 0.235 0.000 1.00 0.00 C HETATM 4 O UNL 1 0.862 1.473 0.000 1.00 0.00 O HETATM 5 C UNL 1 1.577 -0.590 0.000 1.00 0.00 C HETATM 6 C UNL 1 2.291 -1.002 0.000 1.00 0.00 C HETATM 7 C UNL 1 3.006 -0.590 0.000 1.00 0.00 C HETATM 8 C UNL 1 3.006 0.235 0.000 1.00 0.00 C HETATM 9 C UNL 1 2.291 0.648 0.000 1.00 0.00 C HETATM 10 O UNL 1 2.291 1.473 0.000 1.00 0.00 O HETATM 11 S UNL 1 2.291 -1.827 0.000 1.00 0.00 S HETATM 12 C UNL 1 3.006 1.885 0.000 1.00 0.00 C HETATM 13 C UNL 1 3.006 2.710 0.000 1.00 0.00 C HETATM 14 C UNL 1 2.291 -2.652 0.000 1.00 0.00 C HETATM 15 O UNL 1 3.116 -1.827 0.000 1.00 0.00 O HETATM 16 O UNL 1 1.466 -1.827 0.000 1.00 0.00 O HETATM 17 C UNL 1 -0.649 0.449 0.000 1.00 0.00 C HETATM 18 C UNL 1 -0.862 -0.348 0.000 1.00 0.00 C HETATM 19 C UNL 1 -0.066 -0.562 0.000 1.00 0.00 C HETATM 20 C UNL 1 -1.577 -0.761 0.000 1.00 0.00 C HETATM 21 N UNL 1 -2.291 -0.348 0.000 1.00 0.00 N HETATM 22 C UNL 1 -3.006 -0.761 0.000 1.00 0.00 C HETATM 23 C UNL 1 -3.006 -1.586 0.000 1.00 0.00 C HETATM 24 C UNL 1 -2.291 -1.998 0.000 1.00 0.00 C HETATM 25 C UNL 1 -1.577 -1.586 0.000 1.00 0.00 C HETATM 26 CL UNL 1 -0.862 -1.998 0.000 1.00 0.00 Cl HETATM 27 C UNL 1 3.720 1.473 0.000 1.00 0.00 C HETATM 28 F UNL 1 3.309 0.761 0.000 1.00 0.00 F HETATM 29 F UNL 1 4.432 1.062 0.000 1.00 0.00 F HETATM 30 F UNL 1 4.131 2.185 0.000 1.00 0.00 F HETATM 31 O UNL 1 0.862 -1.002 0.000 1.00 0.00 O HETATM 32 C UNL 1 0.862 -1.824 0.000 1.00 0.00 C HETATM 33 C UNL 1 -3.720 -1.998 0.000 1.00 0.00 C HETATM 34 F UNL 1 -4.131 -1.286 0.000 1.00 0.00 F HETATM 35 F UNL 1 -4.432 -2.409 0.000 1.00 0.00 F HETATM 36 F UNL 1 -3.309 -2.710 0.000 1.00 0.00 F CONECT 1 2 17 19 CONECT 2 1 3 4 CONECT 3 2 5 9 CONECT 4 2 CONECT 5 31 3 6 CONECT 6 5 7 11 CONECT 7 6 8 CONECT 8 7 9 CONECT 9 8 3 10 CONECT 10 9 12 CONECT 11 6 14 15 16 CONECT 12 27 10 13 CONECT 13 12 CONECT 14 11 CONECT 15 11 CONECT 16 11 CONECT 17 1 18 CONECT 18 17 19 20 CONECT 19 18 1 CONECT 20 18 21 25 CONECT 21 20 22 CONECT 22 21 23 CONECT 23 33 22 24 CONECT 24 23 25 CONECT 25 24 20 26 CONECT 26 25 CONECT 27 28 29 30 12 CONECT 28 27 CONECT 29 27 CONECT 30 27 CONECT 31 32 5 CONECT 32 31 CONECT 33 34 35 36 23 CONECT 34 33 CONECT 35 33 CONECT 36 33 MASTER 0 0 0 0 0 0 0 0 36 0 36 0 END M END $$$$