D0QC6H AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 2.101 0.145 0.294 1.00 0.00 C HETATM 2 C UNL 1 3.156 -0.640 0.805 1.00 0.00 C HETATM 3 C UNL 1 3.367 -0.709 2.256 1.00 0.00 C HETATM 4 N UNL 1 3.816 0.450 2.830 1.00 0.00 N HETATM 5 C UNL 1 3.268 1.737 2.405 1.00 0.00 C HETATM 6 C UNL 1 1.720 1.715 2.237 1.00 0.00 C HETATM 7 N UNL 1 1.241 0.875 1.106 1.00 0.00 N HETATM 8 C UNL 1 1.993 0.235 -1.102 1.00 0.00 C HETATM 9 C UNL 1 2.950 -0.343 -1.944 1.00 0.00 C HETATM 10 C UNL 1 4.013 -1.066 -1.416 1.00 0.00 C HETATM 11 C UNL 1 4.117 -1.229 -0.039 1.00 0.00 C HETATM 12 C UNL 1 -0.198 0.744 0.886 1.00 0.00 C HETATM 13 O UNL 1 3.269 -1.776 2.858 1.00 0.00 O HETATM 14 CL UNL 1 5.496 -2.070 0.569 1.00 0.00 Cl HETATM 15 C UNL 1 3.792 2.890 3.305 1.00 0.00 C HETATM 16 H UNL 1 3.695 1.949 1.414 1.00 0.00 H HETATM 17 C UNL 1 3.660 2.885 4.816 1.00 0.00 C HETATM 18 C UNL 1 3.693 1.748 5.626 1.00 0.00 C HETATM 19 C UNL 1 3.672 1.848 7.035 1.00 0.00 C HETATM 20 C UNL 1 3.620 3.087 7.702 1.00 0.00 C HETATM 21 C UNL 1 3.628 4.219 6.870 1.00 0.00 C HETATM 22 C UNL 1 3.659 4.123 5.470 1.00 0.00 C HETATM 23 C UNL 1 3.717 3.195 9.187 1.00 0.00 C HETATM 24 C UNL 1 3.409 2.139 10.055 1.00 0.00 C HETATM 25 C UNL 1 3.784 2.222 11.396 1.00 0.00 C HETATM 26 N UNL 1 4.511 3.234 11.910 1.00 0.00 N HETATM 27 C UNL 1 4.724 4.275 11.091 1.00 0.00 C HETATM 28 C UNL 1 4.245 4.344 9.793 1.00 0.00 C HETATM 29 H UNL 1 4.829 0.445 2.814 1.00 0.00 H HETATM 30 H UNL 1 1.381 2.736 2.021 1.00 0.00 H HETATM 31 H UNL 1 1.231 1.396 3.165 1.00 0.00 H HETATM 32 H UNL 1 1.205 0.831 -1.553 1.00 0.00 H HETATM 33 H UNL 1 2.872 -0.205 -3.022 1.00 0.00 H HETATM 34 H UNL 1 4.773 -1.476 -2.069 1.00 0.00 H HETATM 35 H UNL 1 -0.763 1.413 1.544 1.00 0.00 H HETATM 36 H UNL 1 -0.529 -0.281 1.089 1.00 0.00 H HETATM 37 H UNL 1 -0.480 1.000 -0.140 1.00 0.00 H HETATM 38 H UNL 1 4.871 2.980 3.107 1.00 0.00 H HETATM 39 H UNL 1 3.343 3.818 2.926 1.00 0.00 H HETATM 40 H UNL 1 3.782 0.750 5.203 1.00 0.00 H HETATM 41 H UNL 1 3.763 0.920 7.597 1.00 0.00 H HETATM 42 H UNL 1 3.653 5.221 7.288 1.00 0.00 H HETATM 43 H UNL 1 3.719 5.046 4.896 1.00 0.00 H HETATM 44 H UNL 1 2.884 1.249 9.721 1.00 0.00 H HETATM 45 H UNL 1 3.513 1.448 12.110 1.00 0.00 H HETATM 46 H UNL 1 5.329 5.081 11.497 1.00 0.00 H HETATM 47 H UNL 1 4.350 5.281 9.266 1.00 0.00 H CONECT 1 2 7 8 CONECT 2 1 3 11 CONECT 3 2 4 13 CONECT 4 3 5 29 CONECT 5 4 6 16 15 CONECT 6 5 7 30 31 CONECT 7 6 1 12 CONECT 8 1 9 32 CONECT 9 8 10 33 CONECT 10 9 11 34 CONECT 11 10 2 14 CONECT 12 7 35 36 37 CONECT 13 3 CONECT 14 11 CONECT 15 17 5 38 39 CONECT 16 5 CONECT 17 15 18 22 CONECT 18 17 19 40 CONECT 19 18 20 41 CONECT 20 19 21 23 CONECT 21 20 22 42 CONECT 22 21 17 43 CONECT 23 20 24 28 CONECT 24 23 25 44 CONECT 25 24 26 45 CONECT 26 25 27 CONECT 27 26 28 46 CONECT 28 27 23 47 CONECT 29 4 CONECT 30 6 CONECT 31 6 CONECT 32 8 CONECT 33 9 CONECT 34 10 CONECT 35 12 CONECT 36 12 CONECT 37 12 CONECT 38 15 CONECT 39 15 CONECT 40 18 CONECT 41 19 CONECT 42 21 CONECT 43 22 CONECT 44 24 CONECT 45 25 CONECT 46 27 CONECT 47 28 MASTER 0 0 0 0 0 0 0 0 47 0 47 0 END M END $$$$