COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  S   UNL     1       3.394   2.460   0.481  1.00  0.00           S  
HETATM    2  O   UNL     1       2.150   2.281   1.143  1.00  0.00           O  
HETATM    3  O   UNL     1       3.682   3.658  -0.226  1.00  0.00           O  
HETATM    4  C   UNL     1       4.769   2.026   1.582  1.00  0.00           C  
HETATM    5  N   UNL     1       3.410   1.283  -0.684  1.00  0.00           N  
HETATM    6  C   UNL     1       3.126  -0.108  -0.324  1.00  0.00           C  
HETATM    7  C   UNL     1       1.667  -0.400  -0.559  1.00  0.00           C  
HETATM    8  O   UNL     1       1.018   0.308  -1.301  1.00  0.00           O  
HETATM    9  C   UNL     1       3.978  -1.042  -1.186  1.00  0.00           C  
HETATM   10  C   UNL     1       5.435  -0.835  -0.862  1.00  0.00           C  
HETATM   11  C   UNL     1       6.171   0.107  -1.555  1.00  0.00           C  
HETATM   12  C   UNL     1       6.035  -1.585   0.133  1.00  0.00           C  
HETATM   13  C   UNL     1       7.508   0.297  -1.257  1.00  0.00           C  
HETATM   14  C   UNL     1       7.371  -1.395   0.431  1.00  0.00           C  
HETATM   15  C   UNL     1       8.108  -0.456  -0.266  1.00  0.00           C  
HETATM   16  N   UNL     1       1.081  -1.446   0.056  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.326  -1.847  -0.087  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.226  -0.739   0.399  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.746   0.294   0.813  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.534  -3.109   0.777  1.00  0.00           C  
HETATM   21  C   UNL     1       0.903  -3.678   0.912  1.00  0.00           C  
HETATM   22  C   UNL     1       1.748  -2.383   0.979  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.564  -0.898   0.373  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.439   0.178   0.845  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.900  -0.255   0.709  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.242  -0.437  -0.772  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.695  -0.905  -0.902  1.00  0.00           C  
HETATM   28  N   UNL     1      -7.563   0.047  -0.195  1.00  0.00           N  
HETATM   29  C   UNL     1      -7.267   0.363   1.209  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.808   0.816   1.316  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.631   0.630  -0.835  1.00  0.00           C  
HETATM   32  N   UNL     1      -9.500   1.430  -0.132  1.00  0.00           N  
HETATM   33  N   UNL     1      -8.819   0.424  -2.108  1.00  0.00           N  
HETATM   34  H   UNL     1       4.599   1.034   2.002  1.00  0.00           H  
HETATM   35  H   UNL     1       5.701   2.025   1.017  1.00  0.00           H  
HETATM   36  H   UNL     1       4.834   2.756   2.389  1.00  0.00           H  
HETATM   37  H   UNL     1       3.608   1.516  -1.605  1.00  0.00           H  
HETATM   38  H   UNL     1       3.364  -0.267   0.728  1.00  0.00           H  
HETATM   39  H   UNL     1       3.703  -2.076  -0.982  1.00  0.00           H  
HETATM   40  H   UNL     1       3.806  -0.822  -2.240  1.00  0.00           H  
HETATM   41  H   UNL     1       5.702   0.696  -2.330  1.00  0.00           H  
HETATM   42  H   UNL     1       5.458  -2.318   0.678  1.00  0.00           H  
HETATM   43  H   UNL     1       8.083   1.033  -1.800  1.00  0.00           H  
HETATM   44  H   UNL     1       7.839  -1.981   1.209  1.00  0.00           H  
HETATM   45  H   UNL     1       9.153  -0.309  -0.034  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.543  -2.072  -1.131  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.937  -2.845   1.755  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.185  -3.821   0.269  1.00  0.00           H  
HETATM   49  H   UNL     1       1.008  -4.262   1.826  1.00  0.00           H  
HETATM   50  H   UNL     1       1.172  -4.271   0.038  1.00  0.00           H  
HETATM   51  H   UNL     1       2.768  -2.578   0.650  1.00  0.00           H  
HETATM   52  H   UNL     1       1.745  -1.984   1.993  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.948  -1.725   0.041  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.219   0.392   1.890  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.268   1.073   0.247  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.049  -1.199   1.234  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.116   0.511  -1.294  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.578  -1.184  -1.209  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.974  -0.941  -1.956  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.801  -1.895  -0.460  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.924   1.164   1.549  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.421  -0.524   1.824  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.548   0.962   2.364  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.677   1.753   0.774  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.321   1.641   0.798  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.293   1.783  -0.565  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.573   0.836  -2.560  1.00  0.00           H  
CONECT    1    5    2    2    3                                       
CONECT    1    3    4                                                 
CONECT    2    1    1                                                 
CONECT    3    1    1                                                 
CONECT    4    1   34   35   36                                       
CONECT    5    6    1   37                                            
CONECT    6    9   38    5    7                                       
CONECT    7   16    6    8    8                                       
CONECT    8    7    7                                                 
CONECT    9   10   39   40    6                                       
CONECT   10   11   12   12    9                                       
CONECT   11   13   13   10   41                                       
CONECT   12   14   42   10   10                                       
CONECT   13   11   11   15   43                                       
CONECT   14   15   15   44   12                                       
CONECT   15   13   14   14   45                                       
CONECT   16    7   22   17                                            
CONECT   17   20   16   46   18                                       
CONECT   18   17   19   19   23                                       
CONECT   19   18   18                                                 
CONECT   20   21   47   48   17                                       
CONECT   21   22   49   50   20                                       
CONECT   22   16   51   52   21                                       
CONECT   23   18   53   24                                            
CONECT   24   23   54   55   25                                       
CONECT   25   24   30   56   26                                       
CONECT   26   25   57   58   27                                       
CONECT   27   26   28   59   60                                       
CONECT   28   27   29   31                                            
CONECT   29   28   30   61   62                                       
CONECT   30   25   29   63   64                                       
CONECT   31   28   32   33   33                                       
CONECT   32   31   65   66                                            
CONECT   33   31   31   67                                            
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   17                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
