D0BI0F AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 -0.204 -0.008 2.068 1.00 0.00 C HETATM 2 C UNL 1 -0.120 -0.032 3.462 1.00 0.00 C HETATM 3 C UNL 1 -1.280 -0.169 4.279 1.00 0.00 C HETATM 4 C UNL 1 -2.556 -0.204 3.686 1.00 0.00 C HETATM 5 C UNL 1 -2.594 -0.239 2.253 1.00 0.00 C HETATM 6 C UNL 1 -1.438 -0.137 1.455 1.00 0.00 C HETATM 7 N UNL 1 -3.788 0.406 4.330 1.00 0.00 N HETATM 8 C UNL 1 -4.468 0.894 5.633 1.00 0.00 C HETATM 9 N UNL 1 -3.335 1.298 6.069 1.00 0.00 N HETATM 10 C UNL 1 -3.081 2.062 4.902 1.00 0.00 C HETATM 11 C UNL 1 -4.053 1.610 3.700 1.00 0.00 C HETATM 12 BR UNL 1 1.346 0.273 1.010 1.00 0.00 Br HETATM 13 C UNL 1 -5.584 2.148 5.971 1.00 0.00 C HETATM 14 C UNL 1 -6.127 2.071 7.261 1.00 0.00 C HETATM 15 C UNL 1 -6.145 3.200 8.120 1.00 0.00 C HETATM 16 C UNL 1 -5.622 4.431 7.724 1.00 0.00 C HETATM 17 C UNL 1 -5.287 4.622 6.407 1.00 0.00 C HETATM 18 C UNL 1 -5.371 3.533 5.529 1.00 0.00 C HETATM 19 CL UNL 1 -5.472 4.120 3.872 1.00 0.00 Cl HETATM 20 C UNL 1 -5.672 1.118 3.242 1.00 0.00 C HETATM 21 CL UNL 1 -5.445 5.730 8.835 1.00 0.00 Cl HETATM 22 C UNL 1 -1.774 2.808 5.253 1.00 0.00 C HETATM 23 S UNL 1 -0.569 3.697 4.451 1.00 0.00 S HETATM 24 C UNL 1 0.369 3.680 5.979 1.00 0.00 C HETATM 25 N UNL 1 -0.215 2.997 6.920 1.00 0.00 N HETATM 26 N UNL 1 -1.441 2.606 6.530 1.00 0.00 N HETATM 27 C UNL 1 1.827 4.218 6.165 1.00 0.00 C HETATM 28 N UNL 1 -6.215 -0.306 3.415 1.00 0.00 N HETATM 29 N UNL 1 -5.468 -1.420 3.686 1.00 0.00 N HETATM 30 C UNL 1 -6.396 -2.374 3.918 1.00 0.00 C HETATM 31 N UNL 1 -7.691 -1.943 3.770 1.00 0.00 N HETATM 32 C UNL 1 -7.536 -0.690 3.463 1.00 0.00 C HETATM 33 C UNL 1 2.533 2.629 6.531 1.00 0.00 C HETATM 34 C UNL 1 2.572 3.107 7.994 1.00 0.00 C HETATM 35 C UNL 1 2.939 4.410 7.349 1.00 0.00 C HETATM 36 C UNL 1 1.683 5.736 5.942 1.00 0.00 C HETATM 37 F UNL 1 0.428 6.102 5.556 1.00 0.00 F HETATM 38 F UNL 1 1.888 6.501 7.053 1.00 0.00 F HETATM 39 F UNL 1 2.530 6.176 4.987 1.00 0.00 F HETATM 40 H UNL 1 0.850 0.133 3.933 1.00 0.00 H HETATM 41 H UNL 1 -1.156 -0.044 5.347 1.00 0.00 H HETATM 42 H UNL 1 -3.544 -0.210 1.722 1.00 0.00 H HETATM 43 H UNL 1 -1.524 -0.089 0.370 1.00 0.00 H HETATM 44 H UNL 1 -6.448 1.113 7.658 1.00 0.00 H HETATM 45 H UNL 1 -6.514 3.095 9.137 1.00 0.00 H HETATM 46 H UNL 1 -4.993 5.609 6.048 1.00 0.00 H HETATM 47 H UNL 1 -5.811 1.318 2.179 1.00 0.00 H HETATM 48 H UNL 1 -6.428 1.690 3.797 1.00 0.00 H HETATM 49 H UNL 1 -6.127 -3.376 4.191 1.00 0.00 H HETATM 50 H UNL 1 -8.346 0.033 3.261 1.00 0.00 H HETATM 51 H UNL 1 3.516 2.403 6.098 1.00 0.00 H HETATM 52 H UNL 1 1.919 1.725 6.422 1.00 0.00 H HETATM 53 H UNL 1 3.322 2.678 8.662 1.00 0.00 H HETATM 54 H UNL 1 1.632 3.189 8.552 1.00 0.00 H HETATM 55 H UNL 1 3.970 4.409 6.928 1.00 0.00 H HETATM 56 H UNL 1 2.978 5.225 8.074 1.00 0.00 H CONECT 1 2 6 12 CONECT 2 1 3 40 CONECT 3 2 4 41 CONECT 4 3 5 7 CONECT 5 4 6 42 CONECT 6 5 1 43 CONECT 7 4 8 11 CONECT 8 7 9 13 CONECT 9 8 10 CONECT 10 9 11 22 CONECT 11 10 7 20 CONECT 12 1 CONECT 13 8 14 18 CONECT 14 13 15 44 CONECT 15 14 16 45 CONECT 16 15 17 21 CONECT 17 16 18 46 CONECT 18 17 13 19 CONECT 19 18 CONECT 20 11 28 47 48 CONECT 21 16 CONECT 22 10 23 26 CONECT 23 22 24 CONECT 24 23 25 27 CONECT 25 24 26 CONECT 26 25 22 CONECT 27 24 33 35 36 CONECT 28 20 29 32 CONECT 29 28 30 CONECT 30 29 31 49 CONECT 31 30 32 CONECT 32 31 28 50 CONECT 33 27 34 51 52 CONECT 34 33 35 53 54 CONECT 35 34 27 55 56 CONECT 36 27 37 38 39 CONECT 37 36 CONECT 38 36 CONECT 39 36 CONECT 40 2 CONECT 41 3 CONECT 42 5 CONECT 43 6 CONECT 44 14 CONECT 45 15 CONECT 46 17 CONECT 47 20 CONECT 48 20 CONECT 49 30 CONECT 50 32 CONECT 51 33 CONECT 52 33 CONECT 53 34 CONECT 54 34 CONECT 55 35 CONECT 56 35 MASTER 0 0 0 0 0 0 0 0 56 0 56 0 END M END $$$$