COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.807  -5.764  -2.095  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.340  -4.607  -2.648  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.438  -3.460  -1.890  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.001  -3.463  -0.562  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.466  -4.631  -0.010  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.376  -5.774  -0.774  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.099  -2.239   0.251  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.072  -1.511   0.758  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.716  -0.348   1.518  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.632  -1.784   0.609  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.034  -1.722  -0.653  1.00  0.00           C  
HETATM   12  C   UNL     1       1.313  -1.978  -0.788  1.00  0.00           C  
HETATM   13  C   UNL     1       2.076  -2.298   0.328  1.00  0.00           C  
HETATM   14  C   UNL     1       1.486  -2.362   1.584  1.00  0.00           C  
HETATM   15  C   UNL     1       0.141  -2.101   1.729  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.379  -1.523   0.691  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.271   0.603   0.412  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.437  -0.225  -0.173  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.952  -0.982   1.990  1.00  0.00           O  
HETATM   20  O   UNL     1       3.404  -2.550   0.190  1.00  0.00           O  
HETATM   21  C   UNL     1       4.130  -2.873   1.378  1.00  0.00           C  
HETATM   22  C   UNL     1       5.598  -3.123   1.027  1.00  0.00           C  
HETATM   23  N   UNL     1       6.201  -1.879   0.530  1.00  0.00           N  
HETATM   24  C   UNL     1       6.257  -0.862   1.587  1.00  0.00           C  
HETATM   25  C   UNL     1       6.754   0.461   0.999  1.00  0.00           C  
HETATM   26  C   UNL     1       8.143   0.254   0.390  1.00  0.00           C  
HETATM   27  C   UNL     1       8.066  -0.845  -0.675  1.00  0.00           C  
HETATM   28  C   UNL     1       7.532  -2.129  -0.038  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.712  -6.892  -2.846  1.00  0.00           O  
HETATM   30  S   UNL     1      -3.871   2.155   1.134  1.00  0.00           S  
HETATM   31  O   UNL     1      -2.656   2.742   1.838  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.742   3.292   0.996  1.00  0.00           C  
HETATM   33  O   UNL     1      -4.173   3.096   0.113  1.00  0.00           O  
HETATM   34  O   UNL     1      -4.792   1.894   2.184  1.00  0.00           O  
HETATM   35  H   UNL     1      -3.677  -4.605  -3.674  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.852  -2.561  -2.321  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.126  -4.638   1.015  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.963  -6.676  -0.349  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.091   0.125   2.275  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.627  -1.474  -1.521  1.00  0.00           H  
HETATM   41  H   UNL     1       1.776  -1.930  -1.762  1.00  0.00           H  
HETATM   42  H   UNL     1       2.084  -2.612   2.448  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.317  -2.151   2.706  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.283  -2.133   0.686  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.516   0.796  -0.350  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.268  -0.450  -1.226  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.386   0.293  -0.035  1.00  0.00           H  
HETATM   48  H   UNL     1       4.061  -2.045   2.083  1.00  0.00           H  
HETATM   49  H   UNL     1       3.707  -3.771   1.830  1.00  0.00           H  
HETATM   50  H   UNL     1       6.133  -3.455   1.916  1.00  0.00           H  
HETATM   51  H   UNL     1       5.662  -3.891   0.256  1.00  0.00           H  
HETATM   52  H   UNL     1       5.262  -0.721   2.009  1.00  0.00           H  
HETATM   53  H   UNL     1       6.940  -1.190   2.371  1.00  0.00           H  
HETATM   54  H   UNL     1       6.063   0.797   0.225  1.00  0.00           H  
HETATM   55  H   UNL     1       6.810   1.211   1.787  1.00  0.00           H  
HETATM   56  H   UNL     1       8.482   1.182  -0.069  1.00  0.00           H  
HETATM   57  H   UNL     1       8.843  -0.044   1.171  1.00  0.00           H  
HETATM   58  H   UNL     1       7.397  -0.529  -1.475  1.00  0.00           H  
HETATM   59  H   UNL     1       9.061  -1.026  -1.082  1.00  0.00           H  
HETATM   60  H   UNL     1       8.209  -2.451   0.753  1.00  0.00           H  
HETATM   61  H   UNL     1       7.463  -2.909  -0.796  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.878  -6.974  -3.329  1.00  0.00           H  
HETATM   63  C   UNL     1      -1.840   4.629   0.641  1.00  0.00           C  
HETATM   64  C   UNL     1      -0.910   5.187  -0.214  1.00  0.00           C  
HETATM   65  C   UNL     1       0.120   4.411  -0.717  1.00  0.00           C  
HETATM   66  C   UNL     1       0.220   3.078  -0.365  1.00  0.00           C  
HETATM   67  C   UNL     1      -0.705   2.518   0.495  1.00  0.00           C  
HETATM   68 BR   UNL     1       1.391   5.176  -1.890  1.00  0.00          Br  
HETATM   69  H   UNL     1      -2.644   5.235   1.034  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.986   6.228  -0.491  1.00  0.00           H  
HETATM   71  H   UNL     1       1.024   2.474  -0.759  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.626   1.477   0.770  1.00  0.00           H  
CONECT    1    6    6    2   29                                       
CONECT    2    3    3    1   35                                       
CONECT    3    4    2    2   36                                       
CONECT    4    7    5    5    3                                       
CONECT    5    4    4    6   37                                       
CONECT    6    5    1    1   38                                       
CONECT    7   16    8    8    4                                       
CONECT    8    9    7    7   10                                       
CONECT    9   19   17    8   39                                       
CONECT   10   15    8   11   11                                       
CONECT   11   10   10   12   40                                       
CONECT   12   13   13   11   41                                       
CONECT   13   14   20   12   12                                       
CONECT   14   15   15   13   42                                       
CONECT   15   14   14   10   43                                       
CONECT   16   19   18    7   44                                       
CONECT   17   30    9   18   45                                       
CONECT   18   16   17   46   47                                       
CONECT   19    9   16                                                 
CONECT   20   13   21                                                 
CONECT   21   20   22   48   49                                       
CONECT   22   21   23   50   51                                       
CONECT   23   22   28   24                                            
CONECT   24   23   25   52   53                                       
CONECT   25   24   26   54   55                                       
CONECT   26   27   25   56   57                                       
CONECT   27   28   26   58   59                                       
CONECT   28   23   27   60   61                                       
CONECT   29    1   62                                                 
CONECT   30   31   33   33   34                                       
CONECT   30   34   17                                                 
CONECT   31   32   30                                                 
CONECT   32   31   63   67   67                                       
CONECT   33   30   30                                                 
CONECT   34   30   30                                                 
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   32   64   64   69                                       
CONECT   64   63   63   65   70                                       
CONECT   65   64   66   66   68                                       
CONECT   66   65   65   67   71                                       
CONECT   67   66   32   32   72                                       
CONECT   68   65                                                      
CONECT   69   63                                                      
CONECT   70   64                                                      
CONECT   71   66                                                      
CONECT   72   67                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
