D0DC7I AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 N UNL 1 0.972 -0.734 1.440 1.00 0.00 N HETATM 2 C UNL 1 0.131 -0.906 2.530 1.00 0.00 C HETATM 3 C UNL 1 0.757 -1.173 3.723 1.00 0.00 C HETATM 4 S UNL 1 2.455 -1.181 3.476 1.00 0.00 S HETATM 5 C UNL 1 2.240 -0.809 1.802 1.00 0.00 C HETATM 6 N UNL 1 3.222 -0.535 0.912 1.00 0.00 N HETATM 7 C UNL 1 4.620 -0.638 1.020 1.00 0.00 C HETATM 8 C UNL 1 5.392 0.178 0.223 1.00 0.00 C HETATM 9 C UNL 1 6.802 0.115 0.323 1.00 0.00 C HETATM 10 N UNL 1 7.382 -0.712 1.186 1.00 0.00 N HETATM 11 C UNL 1 6.565 -1.458 1.955 1.00 0.00 C HETATM 12 N UNL 1 5.224 -1.443 1.923 1.00 0.00 N HETATM 13 C UNL 1 0.145 -1.350 5.034 1.00 0.00 C HETATM 14 N UNL 1 0.923 -2.048 5.931 1.00 0.00 N HETATM 15 C UNL 1 1.038 -1.884 7.333 1.00 0.00 C HETATM 16 C UNL 1 1.690 -2.954 8.009 1.00 0.00 C HETATM 17 C UNL 1 2.442 -2.688 9.148 1.00 0.00 C HETATM 18 C UNL 1 2.676 -1.366 9.482 1.00 0.00 C HETATM 19 C UNL 1 1.817 -0.379 9.037 1.00 0.00 C HETATM 20 C UNL 1 0.940 -0.640 7.983 1.00 0.00 C HETATM 21 C UNL 1 1.828 -4.347 7.455 1.00 0.00 C HETATM 22 CL UNL 1 0.029 0.717 7.436 1.00 0.00 Cl HETATM 23 O UNL 1 -1.004 -0.993 5.273 1.00 0.00 O HETATM 24 C UNL 1 7.177 -2.365 2.984 1.00 0.00 C HETATM 25 N UNL 1 7.519 1.018 -0.483 1.00 0.00 N HETATM 26 C UNL 1 8.956 0.806 -0.618 1.00 0.00 C HETATM 27 C UNL 1 9.595 1.900 -1.502 1.00 0.00 C HETATM 28 C UNL 1 9.718 3.320 -0.922 1.00 0.00 C HETATM 29 C UNL 1 10.500 3.541 0.381 1.00 0.00 C HETATM 30 C UNL 1 11.986 3.181 0.462 1.00 0.00 C HETATM 31 C UNL 1 12.988 3.918 -0.391 1.00 0.00 C HETATM 32 N UNL 1 12.864 5.077 -0.924 1.00 0.00 N HETATM 33 O UNL 1 14.176 3.301 -0.507 1.00 0.00 O HETATM 34 H UNL 1 -0.941 -0.822 2.393 1.00 0.00 H HETATM 35 H UNL 1 2.900 -0.455 -0.044 1.00 0.00 H HETATM 36 H UNL 1 4.933 0.837 -0.510 1.00 0.00 H HETATM 37 H UNL 1 1.709 -2.540 5.521 1.00 0.00 H HETATM 38 H UNL 1 2.982 -3.486 9.655 1.00 0.00 H HETATM 39 H UNL 1 3.603 -1.114 9.993 1.00 0.00 H HETATM 40 H UNL 1 1.916 0.624 9.442 1.00 0.00 H HETATM 41 H UNL 1 1.008 -4.614 6.786 1.00 0.00 H HETATM 42 H UNL 1 1.841 -5.084 8.268 1.00 0.00 H HETATM 43 H UNL 1 2.780 -4.416 6.918 1.00 0.00 H HETATM 44 H UNL 1 8.279 -2.350 2.899 1.00 0.00 H HETATM 45 H UNL 1 6.846 -3.390 2.835 1.00 0.00 H HETATM 46 H UNL 1 6.911 -2.036 3.987 1.00 0.00 H HETATM 47 H UNL 1 7.276 1.956 -0.200 1.00 0.00 H HETATM 48 H UNL 1 9.109 -0.152 -1.135 1.00 0.00 H HETATM 49 H UNL 1 9.461 0.753 0.349 1.00 0.00 H HETATM 50 H UNL 1 8.997 1.985 -2.423 1.00 0.00 H HETATM 51 H UNL 1 10.590 1.567 -1.820 1.00 0.00 H HETATM 52 H UNL 1 8.701 3.697 -0.750 1.00 0.00 H HETATM 53 H UNL 1 10.140 3.971 -1.699 1.00 0.00 H HETATM 54 H UNL 1 9.990 2.983 1.175 1.00 0.00 H HETATM 55 H UNL 1 10.392 4.601 0.647 1.00 0.00 H HETATM 56 H UNL 1 12.113 2.106 0.299 1.00 0.00 H HETATM 57 H UNL 1 12.305 3.387 1.494 1.00 0.00 H HETATM 58 H UNL 1 11.957 5.496 -0.727 1.00 0.00 H HETATM 59 H UNL 1 14.262 2.516 0.052 1.00 0.00 H CONECT 1 2 5 CONECT 2 1 3 34 CONECT 3 2 4 13 CONECT 4 3 5 CONECT 5 4 1 6 CONECT 6 5 7 35 CONECT 7 6 8 12 CONECT 8 7 9 36 CONECT 9 8 10 25 CONECT 10 9 11 CONECT 11 10 12 24 CONECT 12 11 7 CONECT 13 3 14 23 CONECT 14 13 15 37 CONECT 15 14 16 20 CONECT 16 15 17 21 CONECT 17 16 18 38 CONECT 18 17 19 39 CONECT 19 18 20 40 CONECT 20 19 15 22 CONECT 21 16 41 42 43 CONECT 22 20 CONECT 23 13 CONECT 24 11 44 45 46 CONECT 25 9 26 47 CONECT 26 25 27 48 49 CONECT 27 26 28 50 51 CONECT 28 27 29 52 53 CONECT 29 28 30 54 55 CONECT 30 29 31 56 57 CONECT 31 30 32 33 CONECT 32 31 58 CONECT 33 31 59 CONECT 34 2 CONECT 35 6 CONECT 36 8 CONECT 37 14 CONECT 38 17 CONECT 39 18 CONECT 40 19 CONECT 41 21 CONECT 42 21 CONECT 43 21 CONECT 44 24 CONECT 45 24 CONECT 46 24 CONECT 47 25 CONECT 48 26 CONECT 49 26 CONECT 50 27 CONECT 51 27 CONECT 52 28 CONECT 53 28 CONECT 54 29 CONECT 55 29 CONECT 56 30 CONECT 57 30 CONECT 58 32 CONECT 59 33 MASTER 0 0 0 0 0 0 0 0 59 0 59 0 END M END $$$$