COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.941   2.297  -0.885  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.943   2.287   0.275  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.598   1.749  -0.215  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.600   1.739   0.945  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.274   1.209   0.463  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.141   0.873  -0.691  1.00  0.00           O  
HETATM    7  O   UNL     1       0.759   1.110   1.314  1.00  0.00           O  
HETATM    8  C   UNL     1       1.926   0.624   0.814  1.00  0.00           C  
HETATM    9  C   UNL     1       2.866   1.491   0.273  1.00  0.00           C  
HETATM   10 BR   UNL     1       2.523   3.351   0.231  1.00  0.00          Br  
HETATM   11  C   UNL     1       4.052   0.995  -0.234  1.00  0.00           C  
HETATM   12  C   UNL     1       4.303  -0.365  -0.202  1.00  0.00           C  
HETATM   13 BR   UNL     1       5.926  -1.042  -0.896  1.00  0.00          Br  
HETATM   14  C   UNL     1       3.368  -1.231   0.336  1.00  0.00           C  
HETATM   15  C   UNL     1       2.183  -0.739   0.849  1.00  0.00           C  
HETATM   16  C   UNL     1       1.165  -1.683   1.435  1.00  0.00           C  
HETATM   17  N   UNL     1       0.108  -1.934   0.452  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.916  -2.754   0.758  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.963  -3.286   1.850  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.983  -3.007  -0.234  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.317  -2.766   0.095  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.670  -2.257   1.440  1.00  0.00           N1+
HETATM   23  O   UNL     1      -2.790  -1.935   2.219  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.839  -2.160   1.767  1.00  0.00           O1-
HETATM   25  C   UNL     1      -1.658  -3.482  -1.506  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.658  -3.715  -2.427  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.980  -3.480  -2.092  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.308  -3.004  -0.835  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.287   2.835  -0.395  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.285   2.845  -1.555  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.631   3.383  -1.065  1.00  0.00           C  
HETATM   32  H   UNL     1      -4.564   2.935  -1.684  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.071   1.282  -1.261  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.814   3.302   0.651  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.321   1.648   1.074  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.727   0.734  -0.591  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.220   2.387  -1.014  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.470   2.754   1.321  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.977   1.100   1.744  1.00  0.00           H  
HETATM   40  H   UNL     1       4.783   1.669  -0.655  1.00  0.00           H  
HETATM   41  H   UNL     1       3.566  -2.293   0.359  1.00  0.00           H  
HETATM   42  H   UNL     1       1.650  -2.624   1.695  1.00  0.00           H  
HETATM   43  H   UNL     1       0.731  -1.238   2.330  1.00  0.00           H  
HETATM   44  H   UNL     1       0.146  -1.509  -0.419  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.627  -3.666  -1.768  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.409  -4.082  -3.411  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.759  -3.664  -2.817  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.341  -2.819  -0.582  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.665   2.196   0.404  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.158   3.849  -0.019  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.907   3.483  -2.354  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.415   1.830  -1.931  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.009   2.744  -0.266  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.501   4.397  -0.689  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.342   3.390  -1.891  1.00  0.00           H  
CONECT    1    2   29   32   33                                       
CONECT    2    3    1   34   35                                       
CONECT    3    4    2   36   37                                       
CONECT    4    5    3   38   39                                       
CONECT    5    6    6    4    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8                                                 
CONECT    8   15   15    9    7                                       
CONECT    9   11   11    8   10                                       
CONECT   10    9                                                      
CONECT   11   12    9    9   40                                       
CONECT   12   13   14   14   11                                       
CONECT   13   12                                                      
CONECT   14   12   12   15   41                                       
CONECT   15   14   16    8    8                                       
CONECT   16   15   17   42   43                                       
CONECT   17   18   16   44                                            
CONECT   18   19   19   20   17                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   21   25                                       
CONECT   21   22   20   20   28                                       
CONECT   22   23   23   24   21                                       
CONECT   23   22   22                                                 
CONECT   24   22                                                      
CONECT   25   20   26   26   45                                       
CONECT   26   25   25   27   46                                       
CONECT   27   28   28   26   47                                       
CONECT   28   21   27   27   48                                       
CONECT   29    1   30   49   50                                       
CONECT   30   29   31   51   52                                       
CONECT   31   30   53   54   55                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40   11                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
