D02XVC AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 -1.486 2.827 -3.163 1.00 0.00 C HETATM 2 C UNL 1 0.337 0.359 -8.039 1.00 0.00 C HETATM 3 C UNL 1 -0.119 0.976 -6.820 1.00 0.00 C HETATM 4 C UNL 1 0.811 1.255 -5.925 1.00 0.00 C HETATM 5 C UNL 1 0.429 1.978 -4.823 1.00 0.00 C HETATM 6 C UNL 1 -1.030 2.210 -4.382 1.00 0.00 C HETATM 7 C UNL 1 -0.480 3.419 -2.189 1.00 0.00 C HETATM 8 C UNL 1 1.807 2.505 -4.098 1.00 0.00 C HETATM 9 O UNL 1 3.087 2.152 -4.839 1.00 0.00 O HETATM 10 BR UNL 1 -2.644 1.333 -5.022 1.00 0.00 Br HETATM 11 C UNL 1 0.245 3.143 -1.055 1.00 0.00 C HETATM 12 C UNL 1 0.766 4.242 -0.287 1.00 0.00 C HETATM 13 C UNL 1 0.388 5.573 -0.500 1.00 0.00 C HETATM 14 C UNL 1 -0.599 5.792 -1.418 1.00 0.00 C HETATM 15 C UNL 1 -0.884 4.805 -2.331 1.00 0.00 C HETATM 16 C UNL 1 4.308 2.735 -4.547 1.00 0.00 C HETATM 17 C UNL 1 5.530 2.025 -4.701 1.00 0.00 C HETATM 18 C UNL 1 6.741 2.549 -4.169 1.00 0.00 C HETATM 19 C UNL 1 6.579 3.618 -3.294 1.00 0.00 C HETATM 20 C UNL 1 5.713 4.553 -3.881 1.00 0.00 C HETATM 21 C UNL 1 4.440 4.100 -4.298 1.00 0.00 C HETATM 22 CL UNL 1 5.659 0.512 -5.512 1.00 0.00 Cl HETATM 23 C UNL 1 6.272 2.945 -1.886 1.00 0.00 C HETATM 24 N UNL 1 6.136 3.723 -0.625 1.00 0.00 N HETATM 25 O UNL 1 6.375 5.607 -4.523 1.00 0.00 O HETATM 26 C UNL 1 5.703 6.452 -5.508 1.00 0.00 C HETATM 27 C UNL 1 6.755 7.359 -6.136 1.00 0.00 C HETATM 28 C UNL 1 7.469 8.105 -7.319 1.00 0.00 C HETATM 29 C UNL 1 6.826 6.857 -7.615 1.00 0.00 C HETATM 30 C UNL 1 7.486 4.114 -0.124 1.00 0.00 C HETATM 31 C UNL 1 7.837 3.139 1.010 1.00 0.00 C HETATM 32 C UNL 1 6.494 2.964 1.680 1.00 0.00 C HETATM 33 C UNL 1 5.622 2.733 0.462 1.00 0.00 C HETATM 34 O UNL 1 8.837 3.594 1.894 1.00 0.00 O HETATM 35 O UNL 1 0.794 6.568 0.357 1.00 0.00 O HETATM 36 C UNL 1 -0.225 7.584 0.539 1.00 0.00 C HETATM 37 C UNL 1 -1.592 7.035 0.167 1.00 0.00 C HETATM 38 O UNL 1 -1.535 6.794 -1.256 1.00 0.00 O HETATM 39 C UNL 1 4.144 2.938 0.782 1.00 0.00 C HETATM 40 O UNL 1 3.496 2.303 1.566 1.00 0.00 O HETATM 41 O UNL 1 3.643 3.965 0.050 1.00 0.00 O HETATM 42 H UNL 1 0.663 -0.083 -8.912 1.00 0.00 H HETATM 43 H UNL 1 -1.147 1.261 -6.883 1.00 0.00 H HETATM 44 H UNL 1 1.840 0.983 -6.143 1.00 0.00 H HETATM 45 H UNL 1 1.889 1.993 -3.133 1.00 0.00 H HETATM 46 H UNL 1 1.767 3.590 -4.001 1.00 0.00 H HETATM 47 H UNL 1 0.360 2.143 -0.656 1.00 0.00 H HETATM 48 H UNL 1 1.353 4.050 0.607 1.00 0.00 H HETATM 49 H UNL 1 -1.646 5.078 -3.073 1.00 0.00 H HETATM 50 H UNL 1 7.682 2.006 -4.202 1.00 0.00 H HETATM 51 H UNL 1 3.702 4.777 -4.673 1.00 0.00 H HETATM 52 H UNL 1 7.045 2.174 -1.733 1.00 0.00 H HETATM 53 H UNL 1 5.320 2.414 -2.016 1.00 0.00 H HETATM 54 H UNL 1 4.972 7.048 -4.963 1.00 0.00 H HETATM 55 H UNL 1 5.189 5.830 -6.254 1.00 0.00 H HETATM 56 H UNL 1 7.485 7.501 -5.347 1.00 0.00 H HETATM 57 H UNL 1 8.563 8.076 -7.308 1.00 0.00 H HETATM 58 H UNL 1 7.092 9.028 -7.735 1.00 0.00 H HETATM 59 H UNL 1 7.405 5.966 -7.811 1.00 0.00 H HETATM 60 H UNL 1 5.960 6.956 -8.273 1.00 0.00 H HETATM 61 H UNL 1 7.416 5.133 0.280 1.00 0.00 H HETATM 62 H UNL 1 8.266 4.138 -0.891 1.00 0.00 H HETATM 63 H UNL 1 8.167 2.176 0.600 1.00 0.00 H HETATM 64 H UNL 1 6.195 3.860 2.240 1.00 0.00 H HETATM 65 H UNL 1 6.469 2.124 2.382 1.00 0.00 H HETATM 66 H UNL 1 5.744 1.702 0.109 1.00 0.00 H HETATM 67 H UNL 1 8.647 4.510 2.146 1.00 0.00 H HETATM 68 H UNL 1 0.002 8.467 -0.078 1.00 0.00 H HETATM 69 H UNL 1 -0.196 7.879 1.590 1.00 0.00 H HETATM 70 H UNL 1 -2.414 7.717 0.395 1.00 0.00 H HETATM 71 H UNL 1 -1.801 6.091 0.706 1.00 0.00 H HETATM 72 H UNL 1 4.372 4.375 -0.479 1.00 0.00 H CONECT 1 2 6 7 CONECT 2 1 3 42 CONECT 3 2 4 43 CONECT 4 3 5 44 CONECT 5 4 6 8 CONECT 6 5 1 10 CONECT 7 1 11 15 CONECT 8 5 9 45 46 CONECT 9 8 16 CONECT 10 6 CONECT 11 7 12 47 CONECT 12 11 13 48 CONECT 13 12 14 35 CONECT 14 13 15 38 CONECT 15 14 7 49 CONECT 16 9 17 21 CONECT 17 16 18 22 CONECT 18 17 19 50 CONECT 19 18 20 23 CONECT 20 19 21 25 CONECT 21 20 16 51 CONECT 22 17 CONECT 23 19 24 52 53 CONECT 24 23 30 33 CONECT 25 20 26 CONECT 26 25 27 54 55 CONECT 27 26 28 29 56 CONECT 28 27 29 57 58 CONECT 29 28 27 59 60 CONECT 30 24 31 61 62 CONECT 31 30 32 34 63 CONECT 32 31 33 64 65 CONECT 33 32 24 39 66 CONECT 34 31 67 CONECT 35 13 36 CONECT 36 35 37 68 69 CONECT 37 36 38 70 71 CONECT 38 37 14 CONECT 39 33 40 41 CONECT 40 39 CONECT 41 39 72 CONECT 42 2 CONECT 43 3 CONECT 44 4 CONECT 45 8 CONECT 46 8 CONECT 47 11 CONECT 48 12 CONECT 49 15 CONECT 50 18 CONECT 51 21 CONECT 52 23 CONECT 53 23 CONECT 54 26 CONECT 55 26 CONECT 56 27 CONECT 57 28 CONECT 58 28 CONECT 59 29 CONECT 60 29 CONECT 61 30 CONECT 62 30 CONECT 63 31 CONECT 64 32 CONECT 65 32 CONECT 66 33 CONECT 67 34 CONECT 68 36 CONECT 69 36 CONECT 70 37 CONECT 71 37 CONECT 72 41 MASTER 0 0 0 0 0 0 0 0 72 0 72 0 END M END $$$$