COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -8.263   7.921   3.082  1.00  0.00           N  
HETATM    2  C   UNL     1      -9.277   7.078   3.154  1.00  0.00           C  
HETATM    3  N   UNL     1      -9.282   5.923   2.522  1.00  0.00           N  
HETATM    4  C   UNL     1      -8.247   5.556   1.774  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.143   6.418   1.665  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.185   7.640   2.358  1.00  0.00           C  
HETATM    7  N   UNL     1      -6.127   8.530   2.289  1.00  0.00           N  
HETATM    8  N   UNL     1      -6.241   5.812   0.857  1.00  0.00           N  
HETATM    9  C   UNL     1      -6.709   4.660   0.472  1.00  0.00           C  
HETATM   10  N   UNL     1      -7.945   4.456   1.011  1.00  0.00           N  
HETATM   11  C   UNL     1      -8.793   3.279   0.813  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.805   3.522  -0.336  1.00  0.00           C  
HETATM   13  O   UNL     1     -10.983   4.167   0.150  1.00  0.00           O  
HETATM   14  C   UNL     1     -10.118   2.080  -0.804  1.00  0.00           C  
HETATM   15  O   UNL     1     -11.333   1.615  -0.213  1.00  0.00           O  
HETATM   16  P   UNL     1     -12.601   1.133  -1.080  1.00  0.00           P  
HETATM   17  O   UNL     1     -12.180   0.072  -2.023  1.00  0.00           O  
HETATM   18  O   UNL     1     -13.737   0.556  -0.096  1.00  0.00           O  
HETATM   19  O   UNL     1     -13.191   2.382  -1.907  1.00  0.00           O  
HETATM   20  C   UNL     1      -8.921   1.251  -0.298  1.00  0.00           C  
HETATM   21  O   UNL     1      -8.010   2.161   0.341  1.00  0.00           O  
HETATM   22  C   UNL     1      -8.228   0.565  -1.477  1.00  0.00           C  
HETATM   23  O   UNL     1      -7.194  -0.292  -0.989  1.00  0.00           O  
HETATM   24  P   UNL     1      -6.256  -1.174  -1.956  1.00  0.00           P  
HETATM   25  O   UNL     1      -7.103  -2.020  -2.827  1.00  0.00           O  
HETATM   26  O   UNL     1      -5.357  -0.198  -2.868  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.297  -2.111  -1.066  1.00  0.00           O  
HETATM   28  P   UNL     1      -4.383  -3.398  -1.382  1.00  0.00           P  
HETATM   29  O   UNL     1      -5.096  -4.290  -2.323  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.994  -2.920  -2.043  1.00  0.00           O  
HETATM   31  O   UNL     1      -4.081  -4.191  -0.014  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.267  -5.913   1.474  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.381  -5.437   0.024  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.502  -4.872   2.294  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.668  -6.096   2.062  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.518  -7.246   1.516  1.00  0.00           C  
HETATM   37  O   UNL     1      -3.297  -8.251   0.864  1.00  0.00           O  
HETATM   38  C   UNL     1      -1.194  -7.100   0.811  1.00  0.00           C  
HETATM   39  O   UNL     1      -0.998  -7.678  -0.237  1.00  0.00           O  
HETATM   40  N   UNL     1      -0.227  -6.328   1.345  1.00  0.00           N  
HETATM   41  C   UNL     1       1.023  -6.109   0.614  1.00  0.00           C  
HETATM   42  C   UNL     1       1.942  -5.202   1.435  1.00  0.00           C  
HETATM   43  C   UNL     1       3.228  -4.977   0.683  1.00  0.00           C  
HETATM   44  O   UNL     1       3.394  -5.490  -0.403  1.00  0.00           O  
HETATM   45  N   UNL     1       4.195  -4.204   1.217  1.00  0.00           N  
HETATM   46  C   UNL     1       5.445  -3.985   0.486  1.00  0.00           C  
HETATM   47  C   UNL     1       6.365  -3.079   1.307  1.00  0.00           C  
HETATM   48  S   UNL     1       7.913  -2.807   0.402  1.00  0.00           S  
HETATM   49  C   UNL     1      13.154   0.606   1.886  1.00  0.00           C  
HETATM   50  C   UNL     1      14.489   0.928   1.265  1.00  0.00           C  
HETATM   51  C   UNL     1      14.768   2.001   0.307  1.00  0.00           C  
HETATM   52  C   UNL     1      16.141   1.913   0.014  1.00  0.00           C  
HETATM   53  C   UNL     1      13.989   2.988  -0.298  1.00  0.00           C  
HETATM   54  C   UNL     1      15.649   0.290   1.489  1.00  0.00           C  
HETATM   55  N   UNL     1      16.646   0.860   0.746  1.00  0.00           N  
HETATM   56  C   UNL     1      16.707   2.816  -0.880  1.00  0.00           C  
HETATM   57  C   UNL     1      14.565   3.865  -1.174  1.00  0.00           C  
HETATM   58  C   UNL     1      15.920   3.782  -1.466  1.00  0.00           C  
HETATM   59  C   UNL     1       8.854  -1.729   1.517  1.00  0.00           C  
HETATM   60  C   UNL     1      10.189  -1.407   0.896  1.00  0.00           C  
HETATM   61  O   UNL     1      10.477  -1.860  -0.192  1.00  0.00           O  
HETATM   62  N   UNL     1      11.062  -0.616   1.549  1.00  0.00           N  
HETATM   63  C   UNL     1      12.360  -0.303   0.945  1.00  0.00           C  
HETATM   64 BR   UNL     1      13.509   5.202  -1.995  1.00  0.00          Br  
HETATM   65  H   UNL     1     -10.134   7.346   3.754  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.168   9.370   2.771  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.345   8.313   1.757  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.196   3.968  -0.179  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.315   3.023   1.735  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.349   4.102  -1.139  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.824   5.039   0.537  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.182   2.037  -1.891  1.00  0.00           H  
HETATM   73  H   UNL     1     -14.532   0.247  -0.551  1.00  0.00           H  
HETATM   74  H   UNL     1     -13.488   3.116  -1.352  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.263   0.504   0.419  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.956  -0.025  -2.033  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.795   1.320  -2.134  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.775   0.387  -2.362  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.473  -2.331  -1.481  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.926  -6.178  -0.560  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.383  -5.306  -0.394  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.091  -3.957   2.359  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.322  -5.260   3.296  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.549  -4.657   1.811  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.191  -6.881   1.516  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.587  -6.377   3.112  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.223  -5.162   1.977  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.347  -7.535   2.553  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.487  -8.059  -0.065  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.359  -5.918   2.214  1.00  0.00           H  
HETATM   91  H   UNL     1       1.516  -7.065   0.441  1.00  0.00           H  
HETATM   92  H   UNL     1       0.806  -5.634  -0.343  1.00  0.00           H  
HETATM   93  H   UNL     1       1.450  -4.246   1.608  1.00  0.00           H  
HETATM   94  H   UNL     1       2.160  -5.677   2.392  1.00  0.00           H  
HETATM   95  H   UNL     1       4.063  -3.794   2.086  1.00  0.00           H  
HETATM   96  H   UNL     1       5.938  -4.942   0.313  1.00  0.00           H  
HETATM   97  H   UNL     1       5.228  -3.510  -0.471  1.00  0.00           H  
HETATM   98  H   UNL     1       5.872  -2.122   1.480  1.00  0.00           H  
HETATM   99  H   UNL     1       6.582  -3.553   2.264  1.00  0.00           H  
HETATM  100  H   UNL     1      13.309   0.098   2.837  1.00  0.00           H  
HETATM  101  H   UNL     1      12.599   1.529   2.053  1.00  0.00           H  
HETATM  102  H   UNL     1      12.934   3.059  -0.076  1.00  0.00           H  
HETATM  103  H   UNL     1      15.775  -0.550   2.155  1.00  0.00           H  
HETATM  104  H   UNL     1      17.571   0.570   0.739  1.00  0.00           H  
HETATM  105  H   UNL     1      17.760   2.759  -1.114  1.00  0.00           H  
HETATM  106  H   UNL     1      16.361   4.482  -2.160  1.00  0.00           H  
HETATM  107  H   UNL     1       8.299  -0.806   1.684  1.00  0.00           H  
HETATM  108  H   UNL     1       9.009  -2.238   2.468  1.00  0.00           H  
HETATM  109  H   UNL     1      10.832  -0.254   2.419  1.00  0.00           H  
HETATM  110  H   UNL     1      12.205   0.206  -0.006  1.00  0.00           H  
HETATM  111  H   UNL     1      12.915  -1.226   0.778  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3   65                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   10                                       
CONECT    5    4    6    6    8                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6   66   67                                            
CONECT    8    5    9    9                                            
CONECT    9    8    8   10   68                                       
CONECT   10    4    9   11                                            
CONECT   11   10   12   21   69                                       
CONECT   12   11   13   14   70                                       
CONECT   13   12   71                                                 
CONECT   14   12   15   20   72                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   17   18                                       
CONECT   16   19                                                      
CONECT   17   16   16                                                 
CONECT   18   16   73                                                 
CONECT   19   16   74                                                 
CONECT   20   14   21   22   75                                       
CONECT   21   11   20                                                 
CONECT   22   20   23   76   77                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   25   26                                       
CONECT   24   27                                                      
CONECT   25   24   24                                                 
CONECT   26   24   78                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   29   30                                       
CONECT   28   31                                                      
CONECT   29   28   28                                                 
CONECT   30   28   79                                                 
CONECT   31   28   33                                                 
CONECT   32   33   34   35   36                                       
CONECT   33   31   32   80   81                                       
CONECT   34   32   82   83   84                                       
CONECT   35   32   85   86   87                                       
CONECT   36   32   37   38   88                                       
CONECT   37   36   89                                                 
CONECT   38   36   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   90                                            
CONECT   41   40   42   91   92                                       
CONECT   42   41   43   93   94                                       
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   46   95                                            
CONECT   46   45   47   96   97                                       
CONECT   47   46   48   98   99                                       
CONECT   48   47   59                                                 
CONECT   49   50   63  100  101                                       
CONECT   50   49   51   54   54                                       
CONECT   51   50   52   52   53                                       
CONECT   52   51   51   55   56                                       
CONECT   53   51   57   57  102                                       
CONECT   54   50   50   55  103                                       
CONECT   55   52   54  104                                            
CONECT   56   52   58   58  105                                       
CONECT   57   53   53   58   64                                       
CONECT   58   56   56   57  106                                       
CONECT   59   48   60  107  108                                       
CONECT   60   59   61   61   62                                       
CONECT   61   60   60                                                 
CONECT   62   60   63  109                                            
CONECT   63   49   62  110  111                                       
CONECT   64   57                                                      
CONECT   65    2                                                      
CONECT   66    7                                                      
CONECT   67    7                                                      
CONECT   68    9                                                      
CONECT   69   11                                                      
CONECT   70   12                                                      
CONECT   71   13                                                      
CONECT   72   14                                                      
CONECT   73   18                                                      
CONECT   74   19                                                      
CONECT   75   20                                                      
CONECT   76   22                                                      
CONECT   77   22                                                      
CONECT   78   26                                                      
CONECT   79   30                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   40                                                      
CONECT   91   41                                                      
CONECT   92   41                                                      
CONECT   93   42                                                      
CONECT   94   42                                                      
CONECT   95   45                                                      
CONECT   96   46                                                      
CONECT   97   46                                                      
CONECT   98   47                                                      
CONECT   99   47                                                      
CONECT  100   49                                                      
CONECT  101   49                                                      
CONECT  102   53                                                      
CONECT  103   54                                                      
CONECT  104   55                                                      
CONECT  105   56                                                      
CONECT  106   58                                                      
CONECT  107   59                                                      
CONECT  108   59                                                      
CONECT  109   62                                                      
CONECT  110   63                                                      
CONECT  111   63                                                      
MASTER        0    0    0    0    0    0    0    0  111    0  111    0
END
