COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.517  -0.078 -11.465  1.00  0.00           C  
HETATM    2  C   UNL     1       1.241  -0.057 -10.663  1.00  0.00           C  
HETATM    3  N   UNL     1       1.563  -0.059  -9.230  1.00  0.00           N  
HETATM    4  C   UNL     1       2.228   1.219  -8.946  1.00  0.00           C  
HETATM    5  C   UNL     1       0.283  -0.038  -8.510  1.00  0.00           C  
HETATM    6  C   UNL     1       0.547  -0.038  -7.002  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.786  -0.017  -6.252  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.522  -0.017  -4.745  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.855   0.003  -3.994  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.592   0.003  -2.487  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.837   0.023  -1.786  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.541   0.022  -0.459  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.212   0.003  -0.049  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.900   0.002   1.281  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.919   0.019   2.231  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.951   0.023   3.705  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.787   0.007   4.624  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.627  -1.037   5.533  1.00  0.00           C  
HETATM   19  C   UNL     1       0.458  -1.046   6.385  1.00  0.00           C  
HETATM   20  C   UNL     1       1.386  -0.021   6.339  1.00  0.00           C  
HETATM   21 BR   UNL     1       2.871  -0.041   7.510  1.00  0.00          Br  
HETATM   22  C   UNL     1       1.232   1.018   5.438  1.00  0.00           C  
HETATM   23  C   UNL     1       0.154   1.035   4.577  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.259   0.043   4.048  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.022   0.052   2.942  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.263   0.038   1.827  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.564   0.045   0.471  1.00  0.00           C  
HETATM   28  C   UNL     1       2.755  -1.066 -12.292  1.00  0.00           C  
HETATM   29  H   UNL     1       3.235   0.721 -11.359  1.00  0.00           H  
HETATM   30  H   UNL     1       0.647  -0.939 -10.903  1.00  0.00           H  
HETATM   31  H   UNL     1       0.673   0.840 -10.907  1.00  0.00           H  
HETATM   32  H   UNL     1       3.188   1.252  -9.462  1.00  0.00           H  
HETATM   33  H   UNL     1       1.601   2.040  -9.293  1.00  0.00           H  
HETATM   34  H   UNL     1       2.389   1.314  -7.872  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.271   0.859  -8.781  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.297  -0.920  -8.777  1.00  0.00           H  
HETATM   37  H   UNL     1       1.102  -0.936  -6.731  1.00  0.00           H  
HETATM   38  H   UNL     1       1.128   0.843  -6.735  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.341   0.880  -6.524  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.367  -0.899  -6.519  1.00  0.00           H  
HETATM   41  H   UNL     1       0.032  -0.915  -4.473  1.00  0.00           H  
HETATM   42  H   UNL     1       0.058   0.864  -4.477  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.411   0.901  -4.266  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.437  -0.878  -4.262  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.037  -0.894  -2.215  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.011   0.885  -2.220  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.422  -0.010  -0.786  1.00  0.00           H  
HETATM   48  H   UNL     1       0.132  -0.012   1.596  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.351  -1.837   5.570  1.00  0.00           H  
HETATM   50  H   UNL     1       0.582  -1.855   7.089  1.00  0.00           H  
HETATM   51  H   UNL     1       1.960   1.815   5.406  1.00  0.00           H  
HETATM   52  H   UNL     1       0.035   1.846   3.875  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.634   0.051   5.060  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.594   0.059   0.144  1.00  0.00           H  
HETATM   55  H   UNL     1       3.669  -1.081 -12.866  1.00  0.00           H  
HETATM   56  H   UNL     1       2.037  -1.866 -12.398  1.00  0.00           H  
CONECT    1    2   28   28   29                                       
CONECT    2    1    3   30   31                                       
CONECT    3    2    4    5                                            
CONECT    4    3   32   33   34                                       
CONECT    5    3    6   35   36                                       
CONECT    6    5    7   37   38                                       
CONECT    7    6    8   39   40                                       
CONECT    8    7    9   41   42                                       
CONECT    9    8   10   43   44                                       
CONECT   10    9   11   45   46                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   13   27                                       
CONECT   13   12   12   14   47                                       
CONECT   14   13   15   15   48                                       
CONECT   15   14   14   16   26                                       
CONECT   16   15   17   24   24                                       
CONECT   17   16   18   18   23                                       
CONECT   18   17   17   19   49                                       
CONECT   19   18   20   20   50                                       
CONECT   20   19   19   21   22                                       
CONECT   21   20                                                      
CONECT   22   20   23   23   51                                       
CONECT   23   17   22   22   52                                       
CONECT   24   16   16   25   53                                       
CONECT   25   24   26                                                 
CONECT   26   15   25   27   27                                       
CONECT   27   12   26   26   54                                       
CONECT   28    1    1   55   56                                       
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
