COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.442   2.462   3.562  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.340   3.541   2.947  1.00  0.00           N1+
HETATM    3  O   UNL     1      -3.418  -0.852   1.548  1.00  0.00           O  
HETATM    4 BR   UNL     1       9.038   0.305  -0.900  1.00  0.00          Br  
HETATM    5  C   UNL     1      -1.711   3.117   2.695  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.463   0.903   0.192  1.00  0.00           N  
HETATM    7  O   UNL     1       2.296   0.189   0.609  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.846   2.061   1.615  1.00  0.00           C  
HETATM    9  N   UNL     1      -8.864   2.785  -2.477  1.00  0.00           N  
HETATM   10  O   UNL     1       2.403  -1.292  -1.042  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.329   1.833   1.316  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.407  -6.709   1.160  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.516   1.414  -1.180  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.938   1.778  -1.525  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.536  -0.424   0.420  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.671  -2.793  -0.230  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.213   0.742   2.068  1.00  0.00           C  
HETATM   18  C   UNL     1       0.272   0.804   1.776  1.00  0.00           C  
HETATM   19  C   UNL     1       0.867  -0.054   0.689  1.00  0.00           C  
HETATM   20  C   UNL     1       2.983  -0.506  -0.320  1.00  0.00           C  
HETATM   21  C   UNL     1       4.440  -0.310  -0.459  1.00  0.00           C  
HETATM   22  C   UNL     1       1.030   1.599   2.465  1.00  0.00           C  
HETATM   23  C   UNL     1       5.154  -1.028  -1.421  1.00  0.00           C  
HETATM   24  C   UNL     1       6.515  -0.841  -1.546  1.00  0.00           C  
HETATM   25  C   UNL     1       7.172   0.056  -0.721  1.00  0.00           C  
HETATM   26  C   UNL     1       6.470   0.770   0.234  1.00  0.00           C  
HETATM   27  C   UNL     1       5.108   0.597   0.366  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.439   3.016  -1.166  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.741   3.353  -1.480  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.547   2.447  -2.158  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.040   1.205  -2.518  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.735   0.876  -2.205  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.451  -3.444  -0.229  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.360  -4.743   0.232  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.496  -5.396   0.694  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.719  -4.739   0.692  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.803  -3.440   0.230  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.765  -1.374  -0.727  1.00  0.00           C  
HETATM   39  H   UNL     1       1.246   2.889   4.161  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.206   1.856   4.195  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.349   4.338   3.566  1.00  0.00           H  
HETATM   42  H   UNL     1       0.090   3.806   2.074  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.127   2.721   3.621  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.295   3.989   2.399  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.346   2.407   0.710  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.217   3.652  -2.226  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.426   2.151  -2.951  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.798   2.783   1.059  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.817   1.413   2.195  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.552  -7.167   1.161  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.201  -7.164   1.483  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.884   2.298  -1.263  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.161   0.647  -1.868  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.373   0.605   3.137  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.661  -0.088   1.520  1.00  0.00           H  
HETATM   56  H   UNL     1       0.401   0.194  -0.265  1.00  0.00           H  
HETATM   57  H   UNL     1       0.689  -1.105   0.918  1.00  0.00           H  
HETATM   58  H   UNL     1       2.088   1.647   2.255  1.00  0.00           H  
HETATM   59  H   UNL     1       4.642  -1.729  -2.064  1.00  0.00           H  
HETATM   60  H   UNL     1       7.068  -1.396  -2.290  1.00  0.00           H  
HETATM   61  H   UNL     1       6.988   1.468   0.875  1.00  0.00           H  
HETATM   62  H   UNL     1       4.561   1.155   1.111  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.812   3.720  -0.638  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.132   4.320  -1.199  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.664   0.498  -3.045  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.339  -0.087  -2.488  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.568  -2.937  -0.589  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.407  -5.251   0.232  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.604  -5.243   1.050  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.755  -2.929   0.228  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.755  -1.202  -1.149  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.009  -1.207  -1.494  1.00  0.00           H  
CONECT    1   22    2   39   40                                       
CONECT    2    1    5   41   42                                       
CONECT    3   15   15                                                 
CONECT    4   25                                                      
CONECT    5    2    8   43   44                                       
CONECT    6   11   15   13                                            
CONECT    7   20   19                                                 
CONECT    8   17    5   11   45                                       
CONECT    9   30   46   47                                            
CONECT   10   20   20                                                 
CONECT   11    8    6   48   49                                       
CONECT   12   35   50   51                                            
CONECT   13    6   14   52   53                                       
CONECT   14   13   28   28   32                                       
CONECT   15    3    3    6   38                                       
CONECT   16   38   33   37   37                                       
CONECT   17   18    8   54   55                                       
CONECT   18   22   22   17   19                                       
CONECT   19    7   18   56   57                                       
CONECT   20   21    7   10   10                                       
CONECT   21   27   27   23   20                                       
CONECT   22    1   18   18   58                                       
CONECT   23   24   24   21   59                                       
CONECT   24   25   23   23   60                                       
CONECT   25    4   26   26   24                                       
CONECT   26   25   25   27   61                                       
CONECT   27   26   21   21   62                                       
CONECT   28   14   14   29   63                                       
CONECT   29   28   30   30   64                                       
CONECT   30   29   29   31    9                                       
CONECT   31   32   32   30   65                                       
CONECT   32   14   31   31   66                                       
CONECT   33   34   34   16   67                                       
CONECT   34   33   33   35   68                                       
CONECT   35   34   36   36   12                                       
CONECT   36   35   35   37   69                                       
CONECT   37   16   16   36   70                                       
CONECT   38   15   16   71   72                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
