D0KZ6T AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 11.301 8.923 5.663 1.00 0.00 C HETATM 2 C UNL 1 11.713 8.716 6.971 1.00 0.00 C HETATM 3 C UNL 1 11.544 7.462 7.564 1.00 0.00 C HETATM 4 C UNL 1 10.958 6.405 6.883 1.00 0.00 C HETATM 5 C UNL 1 10.501 6.622 5.564 1.00 0.00 C HETATM 6 C UNL 1 10.690 7.882 4.960 1.00 0.00 C HETATM 7 N UNL 1 10.842 5.215 7.492 1.00 0.00 N HETATM 8 C UNL 1 10.233 4.208 6.821 1.00 0.00 C HETATM 9 C UNL 1 9.704 4.322 5.538 1.00 0.00 C HETATM 10 C UNL 1 9.852 5.559 4.908 1.00 0.00 C HETATM 11 C UNL 1 8.922 3.170 4.961 1.00 0.00 C HETATM 12 O UNL 1 8.914 3.195 3.527 1.00 0.00 O HETATM 13 C UNL 1 9.272 2.066 2.860 1.00 0.00 C HETATM 14 N UNL 1 9.083 2.198 1.502 1.00 0.00 N HETATM 15 O UNL 1 9.728 1.054 3.378 1.00 0.00 O HETATM 16 C UNL 1 8.153 3.210 0.985 1.00 0.00 C HETATM 17 C UNL 1 7.530 2.582 -0.260 1.00 0.00 C HETATM 18 C UNL 1 8.622 1.647 -0.740 1.00 0.00 C HETATM 19 C UNL 1 9.198 1.068 0.569 1.00 0.00 C HETATM 20 O UNL 1 6.356 1.858 0.110 1.00 0.00 O HETATM 21 C UNL 1 10.546 0.392 0.201 1.00 0.00 C HETATM 22 O UNL 1 10.692 -0.155 -0.896 1.00 0.00 O HETATM 23 N UNL 1 11.496 0.248 1.180 1.00 0.00 N HETATM 24 C UNL 1 12.775 -0.407 0.909 1.00 0.00 C HETATM 25 C UNL 1 12.828 -1.896 1.265 1.00 0.00 C HETATM 26 C UNL 1 12.000 -2.820 0.399 1.00 0.00 C HETATM 27 C UNL 1 12.849 -4.021 0.565 1.00 0.00 C HETATM 28 N UNL 1 14.073 -3.798 0.913 1.00 0.00 N HETATM 29 O UNL 1 14.174 -2.390 1.083 1.00 0.00 O HETATM 30 BR UNL 1 12.246 -5.746 0.272 1.00 0.00 Br HETATM 31 H UNL 1 11.446 9.892 5.192 1.00 0.00 H HETATM 32 H UNL 1 12.168 9.526 7.542 1.00 0.00 H HETATM 33 H UNL 1 11.867 7.305 8.590 1.00 0.00 H HETATM 34 H UNL 1 10.364 8.058 3.938 1.00 0.00 H HETATM 35 H UNL 1 10.174 3.280 7.373 1.00 0.00 H HETATM 36 H UNL 1 9.445 5.710 3.910 1.00 0.00 H HETATM 37 H UNL 1 7.879 3.284 5.288 1.00 0.00 H HETATM 38 H UNL 1 9.288 2.217 5.357 1.00 0.00 H HETATM 39 H UNL 1 8.742 4.100 0.744 1.00 0.00 H HETATM 40 H UNL 1 7.384 3.461 1.725 1.00 0.00 H HETATM 41 H UNL 1 7.247 3.331 -1.006 1.00 0.00 H HETATM 42 H UNL 1 9.391 2.227 -1.268 1.00 0.00 H HETATM 43 H UNL 1 8.260 0.863 -1.411 1.00 0.00 H HETATM 44 H UNL 1 8.546 0.271 0.950 1.00 0.00 H HETATM 45 H UNL 1 6.391 0.964 -0.270 1.00 0.00 H HETATM 46 H UNL 1 11.300 0.608 2.112 1.00 0.00 H HETATM 47 H UNL 1 13.534 0.128 1.490 1.00 0.00 H HETATM 48 H UNL 1 13.050 -0.265 -0.144 1.00 0.00 H HETATM 49 H UNL 1 12.577 -2.034 2.325 1.00 0.00 H HETATM 50 H UNL 1 12.007 -2.547 -0.660 1.00 0.00 H HETATM 51 H UNL 1 10.980 -2.960 0.758 1.00 0.00 H CONECT 1 2 6 31 CONECT 2 1 3 32 CONECT 3 2 4 33 CONECT 4 3 5 7 CONECT 5 4 6 10 CONECT 6 5 1 34 CONECT 7 4 8 CONECT 8 7 9 35 CONECT 9 8 10 11 CONECT 10 9 5 36 CONECT 11 9 12 37 38 CONECT 12 11 13 CONECT 13 12 14 15 CONECT 14 13 16 19 CONECT 15 13 CONECT 16 14 17 39 40 CONECT 17 16 18 20 41 CONECT 18 17 19 42 43 CONECT 19 18 14 21 44 CONECT 20 17 45 CONECT 21 19 22 23 CONECT 22 21 CONECT 23 21 24 46 CONECT 24 23 25 47 48 CONECT 25 24 26 29 49 CONECT 26 25 27 50 51 CONECT 27 26 28 30 CONECT 28 27 29 CONECT 29 28 25 CONECT 30 27 CONECT 31 1 CONECT 32 2 CONECT 33 3 CONECT 34 6 CONECT 35 8 CONECT 36 10 CONECT 37 11 CONECT 38 11 CONECT 39 16 CONECT 40 16 CONECT 41 17 CONECT 42 18 CONECT 43 18 CONECT 44 19 CONECT 45 20 CONECT 46 23 CONECT 47 24 CONECT 48 24 CONECT 49 25 CONECT 50 26 CONECT 51 26 MASTER 0 0 0 0 0 0 0 0 51 0 51 0 END M END $$$$