D0TI3Q AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 -1.456 -5.488 1.255 1.00 0.00 C HETATM 2 C UNL 1 -2.026 -4.318 0.777 1.00 0.00 C HETATM 3 C UNL 1 -3.052 -3.705 1.508 1.00 0.00 C HETATM 4 C UNL 1 -3.534 -4.254 2.728 1.00 0.00 C HETATM 5 C UNL 1 -2.955 -5.432 3.190 1.00 0.00 C HETATM 6 C UNL 1 -1.911 -6.038 2.456 1.00 0.00 C HETATM 7 N UNL 1 -4.491 -3.430 3.473 1.00 0.00 N HETATM 8 C UNL 1 -5.426 -3.641 5.075 1.00 0.00 C HETATM 9 N UNL 1 -4.178 -2.436 5.475 1.00 0.00 N HETATM 10 C UNL 1 -3.558 -1.710 4.216 1.00 0.00 C HETATM 11 C UNL 1 -4.534 -1.972 3.298 1.00 0.00 C HETATM 12 CL UNL 1 -0.183 -6.243 0.375 1.00 0.00 Cl HETATM 13 C UNL 1 -6.186 -4.401 6.149 1.00 0.00 C HETATM 14 C UNL 1 -5.466 -3.681 5.131 1.00 0.00 C HETATM 15 C UNL 1 -6.755 -3.944 3.757 1.00 0.00 C HETATM 16 C UNL 1 -8.130 -4.003 3.859 1.00 0.00 C HETATM 17 C UNL 1 -8.578 -4.140 5.130 1.00 0.00 C HETATM 18 C UNL 1 -7.626 -4.410 6.143 1.00 0.00 C HETATM 19 CL UNL 1 -8.308 -5.020 7.639 1.00 0.00 Cl HETATM 20 C UNL 1 -2.427 -0.639 4.035 1.00 0.00 C HETATM 21 N UNL 1 -1.767 -0.400 2.710 1.00 0.00 N HETATM 22 O UNL 1 -1.844 -0.168 5.019 1.00 0.00 O HETATM 23 CL UNL 1 -9.162 -4.001 2.503 1.00 0.00 Cl HETATM 24 N UNL 1 -2.017 0.850 1.721 1.00 0.00 N HETATM 25 C UNL 1 -1.471 0.640 0.339 1.00 0.00 C HETATM 26 C UNL 1 -0.767 1.746 -0.518 1.00 0.00 C HETATM 27 C UNL 1 -0.583 3.128 0.069 1.00 0.00 C HETATM 28 C UNL 1 -0.704 3.161 1.577 1.00 0.00 C HETATM 29 C UNL 1 -1.736 2.206 2.237 1.00 0.00 C HETATM 30 S UNL 1 -5.964 -0.970 3.032 1.00 0.00 S HETATM 31 O UNL 1 -6.418 -1.394 1.712 1.00 0.00 O HETATM 32 O UNL 1 -6.794 -1.082 4.207 1.00 0.00 O HETATM 33 C UNL 1 -5.412 0.707 2.967 1.00 0.00 C HETATM 34 H UNL 1 -1.670 -3.867 -0.150 1.00 0.00 H HETATM 35 H UNL 1 -3.456 -2.780 1.093 1.00 0.00 H HETATM 36 H UNL 1 -3.200 -5.890 4.142 1.00 0.00 H HETATM 37 H UNL 1 -1.433 -6.939 2.838 1.00 0.00 H HETATM 38 H UNL 1 -4.303 -4.702 5.234 1.00 0.00 H HETATM 39 H UNL 1 -6.385 -4.087 2.729 1.00 0.00 H HETATM 40 H UNL 1 -9.641 -4.209 5.343 1.00 0.00 H HETATM 41 H UNL 1 -0.773 -0.304 2.949 1.00 0.00 H HETATM 42 H UNL 1 -2.330 0.334 -0.271 1.00 0.00 H HETATM 43 H UNL 1 -0.790 -0.220 0.327 1.00 0.00 H HETATM 44 H UNL 1 -1.301 1.873 -1.474 1.00 0.00 H HETATM 45 H UNL 1 0.227 1.385 -0.827 1.00 0.00 H HETATM 46 H UNL 1 0.406 3.523 -0.224 1.00 0.00 H HETATM 47 H UNL 1 -1.286 3.833 -0.398 1.00 0.00 H HETATM 48 H UNL 1 -0.977 4.197 1.838 1.00 0.00 H HETATM 49 H UNL 1 0.292 3.008 2.009 1.00 0.00 H HETATM 50 H UNL 1 -1.502 2.170 3.303 1.00 0.00 H HETATM 51 H UNL 1 -2.695 2.732 2.153 1.00 0.00 H HETATM 52 H UNL 1 -5.258 0.956 1.926 1.00 0.00 H HETATM 53 H UNL 1 -6.208 1.307 3.408 1.00 0.00 H HETATM 54 H UNL 1 -4.515 0.839 3.560 1.00 0.00 H CONECT 1 2 6 12 CONECT 2 1 3 34 CONECT 3 2 4 35 CONECT 4 3 5 7 CONECT 5 4 6 36 CONECT 6 5 1 37 CONECT 7 4 8 11 CONECT 8 7 9 13 CONECT 9 8 10 CONECT 10 9 11 20 CONECT 11 10 7 30 CONECT 12 1 CONECT 13 8 14 18 CONECT 14 13 15 38 CONECT 15 14 16 39 CONECT 16 15 17 23 CONECT 17 16 18 40 CONECT 18 17 13 19 CONECT 19 18 CONECT 20 10 21 22 CONECT 21 20 24 41 CONECT 22 20 CONECT 23 16 CONECT 24 21 25 29 CONECT 25 24 26 42 43 CONECT 26 25 27 44 45 CONECT 27 26 28 46 47 CONECT 28 27 29 48 49 CONECT 29 28 24 50 51 CONECT 30 11 31 32 33 CONECT 31 30 CONECT 32 30 CONECT 33 30 52 53 54 CONECT 34 2 CONECT 35 3 CONECT 36 5 CONECT 37 6 CONECT 38 14 CONECT 39 15 CONECT 40 17 CONECT 41 21 CONECT 42 25 CONECT 43 25 CONECT 44 26 CONECT 45 26 CONECT 46 27 CONECT 47 27 CONECT 48 28 CONECT 49 28 CONECT 50 29 CONECT 51 29 CONECT 52 33 CONECT 53 33 CONECT 54 33 MASTER 0 0 0 0 0 0 0 0 54 0 54 0 END M END $$$$