D06YBF AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 -2.252 -1.376 1.897 1.00 0.00 C HETATM 2 C UNL 1 -3.064 -0.925 2.955 1.00 0.00 C HETATM 3 C UNL 1 -4.197 -0.104 2.711 1.00 0.00 C HETATM 4 C UNL 1 -4.544 0.272 1.409 1.00 0.00 C HETATM 5 C UNL 1 -3.720 -0.192 0.361 1.00 0.00 C HETATM 6 C UNL 1 -2.582 -0.976 0.602 1.00 0.00 C HETATM 7 C UNL 1 -5.765 1.106 1.003 1.00 0.00 C HETATM 8 O UNL 1 -6.566 1.841 1.966 1.00 0.00 O HETATM 9 C UNL 1 -6.038 3.040 2.346 1.00 0.00 C HETATM 10 O UNL 1 -4.860 3.326 2.147 1.00 0.00 O HETATM 11 N UNL 1 -6.928 3.930 2.985 1.00 0.00 N HETATM 12 C UNL 1 -1.080 -2.285 2.147 1.00 0.00 C HETATM 13 O UNL 1 -0.631 -2.556 3.244 1.00 0.00 O HETATM 14 C UNL 1 -8.374 3.941 2.748 1.00 0.00 C HETATM 15 C UNL 1 -9.231 5.039 3.451 1.00 0.00 C HETATM 16 N UNL 1 -8.558 6.184 4.066 1.00 0.00 N HETATM 17 C UNL 1 -7.112 6.207 4.159 1.00 0.00 C HETATM 18 C UNL 1 -6.289 5.143 3.449 1.00 0.00 C HETATM 19 C UNL 1 -9.199 7.246 4.714 1.00 0.00 C HETATM 20 O UNL 1 -8.556 8.193 5.187 1.00 0.00 O HETATM 21 C UNL 1 -10.724 7.310 4.776 1.00 0.00 C HETATM 22 N UNL 1 -11.234 8.224 3.772 1.00 0.00 N HETATM 23 C UNL 1 -12.163 7.834 2.840 1.00 0.00 C HETATM 24 C UNL 1 -12.681 8.861 1.855 1.00 0.00 C HETATM 25 O UNL 1 -12.584 6.678 2.800 1.00 0.00 O HETATM 26 BR UNL 1 -11.834 10.596 2.041 1.00 0.00 Br HETATM 27 O UNL 1 -0.638 -2.778 0.955 1.00 0.00 O HETATM 28 C UNL 1 0.481 -3.667 0.995 1.00 0.00 C HETATM 29 H UNL 1 -2.824 -1.214 3.978 1.00 0.00 H HETATM 30 H UNL 1 -4.797 0.233 3.558 1.00 0.00 H HETATM 31 H UNL 1 -3.954 0.055 -0.671 1.00 0.00 H HETATM 32 H UNL 1 -1.964 -1.269 -0.243 1.00 0.00 H HETATM 33 H UNL 1 -6.463 0.413 0.517 1.00 0.00 H HETATM 34 H UNL 1 -5.448 1.809 0.218 1.00 0.00 H HETATM 35 H UNL 1 -8.762 2.956 3.036 1.00 0.00 H HETATM 36 H UNL 1 -8.537 4.012 1.665 1.00 0.00 H HETATM 37 H UNL 1 -9.853 4.569 4.222 1.00 0.00 H HETATM 38 H UNL 1 -9.938 5.453 2.719 1.00 0.00 H HETATM 39 H UNL 1 -6.855 6.205 5.226 1.00 0.00 H HETATM 40 H UNL 1 -6.783 7.186 3.783 1.00 0.00 H HETATM 41 H UNL 1 -5.760 5.607 2.608 1.00 0.00 H HETATM 42 H UNL 1 -5.507 4.816 4.148 1.00 0.00 H HETATM 43 H UNL 1 -10.997 7.741 5.748 1.00 0.00 H HETATM 44 H UNL 1 -11.191 6.327 4.725 1.00 0.00 H HETATM 45 H UNL 1 -10.869 9.174 3.766 1.00 0.00 H HETATM 46 H UNL 1 -13.753 9.011 2.008 1.00 0.00 H HETATM 47 H UNL 1 -12.485 8.519 0.836 1.00 0.00 H HETATM 48 H UNL 1 0.705 -3.961 -0.037 1.00 0.00 H HETATM 49 H UNL 1 0.245 -4.571 1.563 1.00 0.00 H HETATM 50 H UNL 1 1.361 -3.163 1.404 1.00 0.00 H CONECT 1 2 6 12 CONECT 2 1 3 29 CONECT 3 2 4 30 CONECT 4 3 5 7 CONECT 5 4 6 31 CONECT 6 5 1 32 CONECT 7 4 8 33 34 CONECT 8 7 9 CONECT 9 8 10 11 CONECT 10 9 CONECT 11 9 14 18 CONECT 12 1 13 27 CONECT 13 12 CONECT 14 11 15 35 36 CONECT 15 14 16 37 38 CONECT 16 15 17 19 CONECT 17 16 18 39 40 CONECT 18 17 11 41 42 CONECT 19 16 20 21 CONECT 20 19 CONECT 21 19 22 43 44 CONECT 22 21 23 45 CONECT 23 22 24 25 CONECT 24 23 26 46 47 CONECT 25 23 CONECT 26 24 CONECT 27 12 28 CONECT 28 27 48 49 50 CONECT 29 2 CONECT 30 3 CONECT 31 5 CONECT 32 6 CONECT 33 7 CONECT 34 7 CONECT 35 14 CONECT 36 14 CONECT 37 15 CONECT 38 15 CONECT 39 17 CONECT 40 17 CONECT 41 18 CONECT 42 18 CONECT 43 21 CONECT 44 21 CONECT 45 22 CONECT 46 24 CONECT 47 24 CONECT 48 28 CONECT 49 28 CONECT 50 28 MASTER 0 0 0 0 0 0 0 0 50 0 50 0 END M END $$$$