D0RC5I AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 -3.061 -2.685 5.406 1.00 0.00 C HETATM 2 C UNL 1 -3.272 -1.331 5.158 1.00 0.00 C HETATM 3 C UNL 1 -3.821 -0.920 3.936 1.00 0.00 C HETATM 4 C UNL 1 -4.159 -1.860 2.946 1.00 0.00 C HETATM 5 C UNL 1 -3.863 -3.216 3.194 1.00 0.00 C HETATM 6 C UNL 1 -3.333 -3.628 4.421 1.00 0.00 C HETATM 7 C UNL 1 -4.921 -1.420 1.674 1.00 0.00 C HETATM 8 N UNL 1 -4.360 -2.100 0.482 1.00 0.00 N HETATM 9 C UNL 1 -6.442 -1.552 1.866 1.00 0.00 C HETATM 10 C UNL 1 -7.260 -0.423 1.659 1.00 0.00 C HETATM 11 C UNL 1 -8.635 -0.471 1.905 1.00 0.00 C HETATM 12 C UNL 1 -9.214 -1.647 2.368 1.00 0.00 C HETATM 13 C UNL 1 -8.433 -2.783 2.559 1.00 0.00 C HETATM 14 C UNL 1 -7.058 -2.740 2.294 1.00 0.00 C HETATM 15 CL UNL 1 -2.492 -3.197 6.947 1.00 0.00 Cl HETATM 16 CL UNL 1 -10.899 -1.695 2.713 1.00 0.00 Cl HETATM 17 C UNL 1 -5.117 -1.931 -0.795 1.00 0.00 C HETATM 18 C UNL 1 -3.726 -1.774 -1.507 1.00 0.00 C HETATM 19 C UNL 1 -3.298 -1.235 -0.123 1.00 0.00 C HETATM 20 N UNL 1 -3.630 -0.879 -2.733 1.00 0.00 N HETATM 21 C UNL 1 -2.724 0.246 -2.724 1.00 0.00 C HETATM 22 S UNL 1 -4.139 -1.435 -4.272 1.00 0.00 S HETATM 23 C UNL 1 -1.339 0.062 -2.681 1.00 0.00 C HETATM 24 C UNL 1 -0.482 1.175 -2.672 1.00 0.00 C HETATM 25 C UNL 1 -1.007 2.468 -2.671 1.00 0.00 C HETATM 26 C UNL 1 -2.392 2.670 -2.732 1.00 0.00 C HETATM 27 C UNL 1 -3.244 1.548 -2.777 1.00 0.00 C HETATM 28 C UNL 1 0.981 0.983 -2.843 1.00 0.00 C HETATM 29 C UNL 1 -2.718 -2.369 -4.830 1.00 0.00 C HETATM 30 O UNL 1 -5.215 -2.378 -4.052 1.00 0.00 O HETATM 31 O UNL 1 -4.315 -0.300 -5.154 1.00 0.00 O HETATM 32 O UNL 1 1.371 0.050 -3.529 1.00 0.00 O HETATM 33 N UNL 1 1.807 1.921 -2.253 1.00 0.00 N HETATM 34 C UNL 1 3.291 1.853 -2.346 1.00 0.00 C HETATM 35 C UNL 1 3.761 2.016 -3.817 1.00 0.00 C HETATM 36 C UNL 1 3.887 3.012 -1.513 1.00 0.00 C HETATM 37 O UNL 1 3.363 3.281 -4.351 1.00 0.00 O HETATM 38 C UNL 1 3.816 0.504 -1.783 1.00 0.00 C HETATM 39 O UNL 1 3.400 0.303 -0.429 1.00 0.00 O HETATM 40 C UNL 1 -2.936 4.078 -2.780 1.00 0.00 C HETATM 41 F UNL 1 -1.959 5.025 -2.674 1.00 0.00 F HETATM 42 F UNL 1 -3.598 4.355 -3.932 1.00 0.00 F HETATM 43 F UNL 1 -3.803 4.333 -1.762 1.00 0.00 F HETATM 44 H UNL 1 -3.036 -0.593 5.921 1.00 0.00 H HETATM 45 H UNL 1 -4.006 0.140 3.778 1.00 0.00 H HETATM 46 H UNL 1 -4.082 -3.969 2.439 1.00 0.00 H HETATM 47 H UNL 1 -3.159 -4.685 4.606 1.00 0.00 H HETATM 48 H UNL 1 -4.738 -0.339 1.587 1.00 0.00 H HETATM 49 H UNL 1 -6.829 0.515 1.316 1.00 0.00 H HETATM 50 H UNL 1 -9.245 0.416 1.745 1.00 0.00 H HETATM 51 H UNL 1 -8.882 -3.703 2.923 1.00 0.00 H HETATM 52 H UNL 1 -6.476 -3.643 2.455 1.00 0.00 H HETATM 53 H UNL 1 -5.768 -1.052 -0.867 1.00 0.00 H HETATM 54 H UNL 1 -5.686 -2.819 -1.093 1.00 0.00 H HETATM 55 H UNL 1 -3.261 -2.747 -1.729 1.00 0.00 H HETATM 56 H UNL 1 -3.450 -0.151 -0.021 1.00 0.00 H HETATM 57 H UNL 1 -2.278 -1.477 0.182 1.00 0.00 H HETATM 58 H UNL 1 -0.913 -0.938 -2.686 1.00 0.00 H HETATM 59 H UNL 1 -0.340 3.330 -2.689 1.00 0.00 H HETATM 60 H UNL 1 -4.321 1.693 -2.870 1.00 0.00 H HETATM 61 H UNL 1 -2.530 -3.193 -4.140 1.00 0.00 H HETATM 62 H UNL 1 -1.854 -1.710 -4.907 1.00 0.00 H HETATM 63 H UNL 1 -2.946 -2.770 -5.822 1.00 0.00 H HETATM 64 H UNL 1 1.430 2.451 -1.476 1.00 0.00 H HETATM 65 H UNL 1 3.363 1.238 -4.475 1.00 0.00 H HETATM 66 H UNL 1 4.854 1.969 -3.880 1.00 0.00 H HETATM 67 H UNL 1 3.590 3.991 -1.906 1.00 0.00 H HETATM 68 H UNL 1 4.983 2.971 -1.515 1.00 0.00 H HETATM 69 H UNL 1 3.552 2.979 -0.471 1.00 0.00 H HETATM 70 H UNL 1 2.390 3.276 -4.357 1.00 0.00 H HETATM 71 H UNL 1 4.911 0.462 -1.814 1.00 0.00 H HETATM 72 H UNL 1 3.451 -0.347 -2.364 1.00 0.00 H HETATM 73 H UNL 1 3.936 0.885 0.135 1.00 0.00 H CONECT 1 2 6 15 CONECT 2 1 3 44 CONECT 3 2 4 45 CONECT 4 3 5 7 CONECT 5 4 6 46 CONECT 6 5 1 47 CONECT 7 4 8 9 48 CONECT 8 7 17 19 CONECT 9 7 10 14 CONECT 10 9 11 49 CONECT 11 10 12 50 CONECT 12 11 13 16 CONECT 13 12 14 51 CONECT 14 13 9 52 CONECT 15 1 CONECT 16 12 CONECT 17 8 18 53 54 CONECT 18 17 19 20 55 CONECT 19 18 8 56 57 CONECT 20 18 21 22 CONECT 21 20 23 27 CONECT 22 20 29 30 31 CONECT 23 21 24 58 CONECT 24 23 25 28 CONECT 25 24 26 59 CONECT 26 25 27 40 CONECT 27 26 21 60 CONECT 28 24 32 33 CONECT 29 22 61 62 63 CONECT 30 22 CONECT 31 22 CONECT 32 28 CONECT 33 28 34 64 CONECT 34 35 36 33 38 CONECT 35 34 37 65 66 CONECT 36 34 67 68 69 CONECT 37 35 70 CONECT 38 34 39 71 72 CONECT 39 38 73 CONECT 40 26 41 42 43 CONECT 41 40 CONECT 42 40 CONECT 43 40 CONECT 44 2 CONECT 45 3 CONECT 46 5 CONECT 47 6 CONECT 48 7 CONECT 49 10 CONECT 50 11 CONECT 51 13 CONECT 52 14 CONECT 53 17 CONECT 54 17 CONECT 55 18 CONECT 56 19 CONECT 57 19 CONECT 58 23 CONECT 59 25 CONECT 60 27 CONECT 61 29 CONECT 62 29 CONECT 63 29 CONECT 64 33 CONECT 65 35 CONECT 66 35 CONECT 67 36 CONECT 68 36 CONECT 69 36 CONECT 70 37 CONECT 71 38 CONECT 72 38 CONECT 73 39 MASTER 0 0 0 0 0 0 0 0 73 0 73 0 END M END $$$$