D0EC3H AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 2.802 -2.287 2.620 1.00 0.00 C HETATM 2 C UNL 1 4.016 -2.875 2.996 1.00 0.00 C HETATM 3 C UNL 1 5.023 -3.120 2.049 1.00 0.00 C HETATM 4 C UNL 1 4.870 -2.678 0.741 1.00 0.00 C HETATM 5 C UNL 1 3.705 -1.961 0.440 1.00 0.00 C HETATM 6 C UNL 1 2.626 -1.838 1.319 1.00 0.00 C HETATM 7 N UNL 1 5.974 -2.627 -0.151 1.00 0.00 N HETATM 8 C UNL 1 6.138 -1.464 -0.704 1.00 0.00 C HETATM 9 N UNL 1 5.237 -0.407 -0.487 1.00 0.00 N HETATM 10 C UNL 1 3.925 -0.876 -0.532 1.00 0.00 C HETATM 11 O UNL 1 3.016 -0.386 -1.184 1.00 0.00 O HETATM 12 N UNL 1 5.423 0.391 0.769 1.00 0.00 N HETATM 13 C UNL 1 6.255 -0.029 1.827 1.00 0.00 C HETATM 14 C UNL 1 6.152 0.738 3.180 1.00 0.00 C HETATM 15 O UNL 1 7.118 -0.896 1.731 1.00 0.00 O HETATM 16 C UNL 1 5.621 1.994 3.021 1.00 0.00 C HETATM 17 C UNL 1 6.406 2.873 2.292 1.00 0.00 C HETATM 18 C UNL 1 7.786 2.647 2.283 1.00 0.00 C HETATM 19 C UNL 1 8.314 1.659 3.129 1.00 0.00 C HETATM 20 C UNL 1 7.429 0.747 3.699 1.00 0.00 C HETATM 21 BR UNL 1 8.027 -0.611 4.871 1.00 0.00 Br HETATM 22 C UNL 1 7.244 -1.106 -1.626 1.00 0.00 C HETATM 23 C UNL 1 8.130 -1.712 -2.685 1.00 0.00 C HETATM 24 C UNL 1 6.749 -1.416 -3.067 1.00 0.00 C HETATM 25 O UNL 1 5.703 3.818 1.618 1.00 0.00 O HETATM 26 C UNL 1 6.410 4.489 0.585 1.00 0.00 C HETATM 27 H UNL 1 2.032 -2.097 3.362 1.00 0.00 H HETATM 28 H UNL 1 4.202 -3.096 4.045 1.00 0.00 H HETATM 29 H UNL 1 5.990 -3.503 2.371 1.00 0.00 H HETATM 30 H UNL 1 1.744 -1.271 1.034 1.00 0.00 H HETATM 31 H UNL 1 4.708 1.126 0.880 1.00 0.00 H HETATM 32 H UNL 1 5.007 2.443 3.809 1.00 0.00 H HETATM 33 H UNL 1 8.462 3.220 1.656 1.00 0.00 H HETATM 34 H UNL 1 9.386 1.531 3.242 1.00 0.00 H HETATM 35 H UNL 1 7.845 -0.300 -1.217 1.00 0.00 H HETATM 36 H UNL 1 8.489 -2.724 -2.585 1.00 0.00 H HETATM 37 H UNL 1 8.860 -1.051 -3.160 1.00 0.00 H HETATM 38 H UNL 1 6.144 -2.307 -3.244 1.00 0.00 H HETATM 39 H UNL 1 6.507 -0.596 -3.726 1.00 0.00 H HETATM 40 H UNL 1 5.679 5.024 -0.030 1.00 0.00 H HETATM 41 H UNL 1 6.944 3.794 -0.074 1.00 0.00 H HETATM 42 H UNL 1 7.091 5.218 1.030 1.00 0.00 H CONECT 1 2 6 27 CONECT 2 1 3 28 CONECT 3 2 4 29 CONECT 4 3 5 7 CONECT 5 4 6 10 CONECT 6 5 1 30 CONECT 7 4 8 CONECT 8 7 9 22 CONECT 9 8 10 12 CONECT 10 9 5 11 CONECT 11 10 CONECT 12 9 13 31 CONECT 13 12 14 15 CONECT 14 13 16 20 CONECT 15 13 CONECT 16 14 17 32 CONECT 17 16 18 25 CONECT 18 17 19 33 CONECT 19 18 20 34 CONECT 20 19 14 21 CONECT 21 20 CONECT 22 8 23 24 35 CONECT 23 22 24 36 37 CONECT 24 23 22 38 39 CONECT 25 17 26 CONECT 26 25 40 41 42 CONECT 27 1 CONECT 28 2 CONECT 29 3 CONECT 30 6 CONECT 31 12 CONECT 32 16 CONECT 33 18 CONECT 34 19 CONECT 35 22 CONECT 36 23 CONECT 37 23 CONECT 38 24 CONECT 39 24 CONECT 40 26 CONECT 41 26 CONECT 42 26 MASTER 0 0 0 0 0 0 0 0 42 0 42 0 END M END $$$$