D06JFS AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 -0.466 -2.418 2.388 1.00 0.00 C HETATM 2 C UNL 1 -1.604 -3.001 2.810 1.00 0.00 C HETATM 3 N UNL 1 -2.884 -2.517 2.424 1.00 0.00 N HETATM 4 C UNL 1 -2.917 -1.415 1.590 1.00 0.00 C HETATM 5 N UNL 1 -1.809 -0.771 1.119 1.00 0.00 N HETATM 6 C UNL 1 -0.658 -1.238 1.497 1.00 0.00 C HETATM 7 N UNL 1 -4.175 -2.965 2.759 1.00 0.00 N HETATM 8 C UNL 1 -5.032 -2.139 2.122 1.00 0.00 C HETATM 9 C UNL 1 -4.253 -1.165 1.376 1.00 0.00 C HETATM 10 C UNL 1 -6.586 -2.023 2.019 1.00 0.00 C HETATM 11 O UNL 1 -6.983 -1.147 1.235 1.00 0.00 O HETATM 12 BR UNL 1 1.264 -2.923 2.805 1.00 0.00 Br HETATM 13 N UNL 1 -7.663 -2.768 2.704 1.00 0.00 N HETATM 14 C UNL 1 -9.036 -2.388 2.304 1.00 0.00 C HETATM 15 C UNL 1 -10.402 -2.952 2.766 1.00 0.00 C HETATM 16 C UNL 1 -10.611 -4.041 3.763 1.00 0.00 C HETATM 17 C UNL 1 -9.670 -4.784 4.423 1.00 0.00 C HETATM 18 C UNL 1 -8.200 -4.782 4.427 1.00 0.00 C HETATM 19 C UNL 1 -7.348 -3.879 3.542 1.00 0.00 C HETATM 20 N UNL 1 -11.951 -4.399 4.098 1.00 0.00 N HETATM 21 C UNL 1 -11.981 -5.379 4.983 1.00 0.00 C HETATM 22 S UNL 1 -10.426 -5.931 5.459 1.00 0.00 S HETATM 23 C UNL 1 -13.141 -6.092 5.640 1.00 0.00 C HETATM 24 C UNL 1 -14.551 -5.670 5.287 1.00 0.00 C HETATM 25 H UNL 1 -1.582 -3.876 3.459 1.00 0.00 H HETATM 26 H UNL 1 0.264 -0.741 1.142 1.00 0.00 H HETATM 27 H UNL 1 -4.635 -0.372 0.757 1.00 0.00 H HETATM 28 H UNL 1 -9.051 -2.435 1.202 1.00 0.00 H HETATM 29 H UNL 1 -9.079 -1.306 2.513 1.00 0.00 H HETATM 30 H UNL 1 -10.932 -3.267 1.855 1.00 0.00 H HETATM 31 H UNL 1 -10.982 -2.090 3.127 1.00 0.00 H HETATM 32 H UNL 1 -7.876 -5.815 4.215 1.00 0.00 H HETATM 33 H UNL 1 -7.875 -4.633 5.467 1.00 0.00 H HETATM 34 H UNL 1 -6.671 -3.408 4.254 1.00 0.00 H HETATM 35 H UNL 1 -6.839 -4.560 2.861 1.00 0.00 H HETATM 36 H UNL 1 -13.032 -5.994 6.729 1.00 0.00 H HETATM 37 H UNL 1 -13.053 -7.165 5.418 1.00 0.00 H HETATM 38 H UNL 1 -14.749 -4.629 5.555 1.00 0.00 H HETATM 39 H UNL 1 -15.257 -6.293 5.856 1.00 0.00 H HETATM 40 H UNL 1 -14.772 -5.818 4.226 1.00 0.00 H CONECT 1 2 6 12 CONECT 2 1 3 25 CONECT 3 2 4 7 CONECT 4 3 5 9 CONECT 5 4 6 CONECT 6 5 1 26 CONECT 7 3 8 CONECT 8 7 9 10 CONECT 9 8 4 27 CONECT 10 8 11 13 CONECT 11 10 CONECT 12 1 CONECT 13 10 14 19 CONECT 14 13 15 28 29 CONECT 15 14 16 30 31 CONECT 16 15 17 20 CONECT 17 16 18 22 CONECT 18 17 19 32 33 CONECT 19 18 13 34 35 CONECT 20 16 21 CONECT 21 20 22 23 CONECT 22 21 17 CONECT 23 21 24 36 37 CONECT 24 23 38 39 40 CONECT 25 2 CONECT 26 6 CONECT 27 9 CONECT 28 14 CONECT 29 14 CONECT 30 15 CONECT 31 15 CONECT 32 18 CONECT 33 18 CONECT 34 19 CONECT 35 19 CONECT 36 23 CONECT 37 23 CONECT 38 24 CONECT 39 24 CONECT 40 24 MASTER 0 0 0 0 0 0 0 0 40 0 40 0 END M END $$$$