COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.446   2.205  -0.045  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.685   4.851  -1.430  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.705   2.702  -1.160  1.00  0.00           C  
HETATM    4  C   UNL     1       0.339   1.799  -1.307  1.00  0.00           C  
HETATM    5  C   UNL     1       1.620   2.234  -1.971  1.00  0.00           C  
HETATM    6  C   UNL     1       2.518   2.886  -0.951  1.00  0.00           C  
HETATM    7  C   UNL     1       2.618   4.201  -0.701  1.00  0.00           C  
HETATM    8  C   UNL     1       3.901   5.732   0.825  1.00  0.00           C  
HETATM    9  C   UNL     1       4.055   3.215   0.720  1.00  0.00           C  
HETATM   10  C   UNL     1       3.786   0.867   0.167  1.00  0.00           C  
HETATM   11  C   UNL     1       4.728   0.547   1.126  1.00  0.00           C  
HETATM   12  C   UNL     1       5.069  -1.667   0.318  1.00  0.00           C  
HETATM   13  C   UNL     1       5.279  -3.857  -0.609  1.00  0.00           C  
HETATM   14  C   UNL     1       6.229  -5.045  -0.379  1.00  0.00           C  
HETATM   15  C   UNL     1       5.361  -6.320  -0.434  1.00  0.00           C  
HETATM   16  C   UNL     1       4.125  -5.902  -1.269  1.00  0.00           C  
HETATM   17  C   UNL     1       3.867  -4.451  -0.795  1.00  0.00           C  
HETATM   18  C   UNL     1       5.334   1.552   1.878  1.00  0.00           C  
HETATM   19  C   UNL     1       4.995   2.872   1.686  1.00  0.00           C  
HETATM   20  C   UNL     1       0.207   0.502  -0.846  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.962   0.096  -0.237  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.018   0.997  -0.085  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.882   2.307  -0.545  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.273   0.567   0.567  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.021  -1.171   0.323  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.122  -0.339   0.410  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.041  -0.299  -0.622  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.860  -1.092  -1.740  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.759  -1.924  -1.827  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.840  -1.963  -0.795  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.640  -2.870  -0.890  1.00  0.00           C  
HETATM   32  N   UNL     1       3.534   4.418   0.292  1.00  0.00           N  
HETATM   33  N   UNL     1       5.074  -0.794   1.344  1.00  0.00           N  
HETATM   34  N   UNL     1      -3.400  -0.698   1.015  1.00  0.00           N  
HETATM   35  O   UNL     1      -0.571   3.976  -1.615  1.00  0.00           O  
HETATM   36  O   UNL     1       4.857  -1.275  -0.813  1.00  0.00           O  
HETATM   37  O   UNL     1       5.299  -2.974   0.544  1.00  0.00           O  
HETATM   38  O   UNL     1      -4.190   1.353   0.698  1.00  0.00           O  
HETATM   39  O   UNL     1      -5.255  -0.232   2.575  1.00  0.00           O  
HETATM   40  O   UNL     1      -4.671  -2.586   1.970  1.00  0.00           O  
HETATM   41  S   UNL     1      -4.846  -1.216   1.635  1.00  0.00           S  
HETATM   42  H   UNL     1      -1.446   5.834  -1.837  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.555   4.446  -1.947  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.903   4.942  -0.366  1.00  0.00           H  
HETATM   45  H   UNL     1       2.123   1.365  -2.395  1.00  0.00           H  
HETATM   46  H   UNL     1       1.394   2.946  -2.765  1.00  0.00           H  
HETATM   47  H   UNL     1       2.061   4.973  -1.211  1.00  0.00           H  
HETATM   48  H   UNL     1       3.248   5.980   1.662  1.00  0.00           H  
HETATM   49  H   UNL     1       4.936   5.709   1.167  1.00  0.00           H  
HETATM   50  H   UNL     1       3.793   6.485   0.044  1.00  0.00           H  
HETATM   51  H   UNL     1       3.317   0.088  -0.415  1.00  0.00           H  
HETATM   52  H   UNL     1       5.575  -3.309  -1.503  1.00  0.00           H  
HETATM   53  H   UNL     1       6.986  -5.075  -1.163  1.00  0.00           H  
HETATM   54  H   UNL     1       6.705  -4.960   0.597  1.00  0.00           H  
HETATM   55  H   UNL     1       5.901  -7.127  -0.929  1.00  0.00           H  
HETATM   56  H   UNL     1       5.061  -6.620   0.570  1.00  0.00           H  
HETATM   57  H   UNL     1       4.353  -5.926  -2.335  1.00  0.00           H  
HETATM   58  H   UNL     1       3.273  -6.543  -1.043  1.00  0.00           H  
HETATM   59  H   UNL     1       3.325  -4.449   0.151  1.00  0.00           H  
HETATM   60  H   UNL     1       3.316  -3.894  -1.553  1.00  0.00           H  
HETATM   61  H   UNL     1       6.069   1.291   2.626  1.00  0.00           H  
HETATM   62  H   UNL     1       5.468   3.642   2.277  1.00  0.00           H  
HETATM   63  H   UNL     1       1.023  -0.196  -0.963  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.062  -0.918   0.121  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.695   3.009  -0.430  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.263   0.280   1.283  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.901   0.350  -0.554  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.578  -1.061  -2.546  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.618  -2.543  -2.700  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.787  -2.306  -1.268  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.404  -3.265   0.098  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.860  -3.694  -1.568  1.00  0.00           H  
HETATM   73  H   UNL     1       5.317  -1.094   2.235  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.644  -1.305   0.975  1.00  0.00           H  
CONECT    1    6    9    9   10                                       
CONECT    2   35   42   43   44                                       
CONECT    3    4    4   23   35                                       
CONECT    4   20    5    3    3                                       
CONECT    5    4    6   45   46                                       
CONECT    6    7    7    5    1                                       
CONECT    7   32    6    6   47                                       
CONECT    8   32   48   49   50                                       
CONECT    9   32    1    1   19                                       
CONECT   10    1   11   11   51                                       
CONECT   11   10   10   18   33                                       
CONECT   12   36   36   33   37                                       
CONECT   13   37   14   17   52                                       
CONECT   14   13   15   53   54                                       
CONECT   15   14   16   55   56                                       
CONECT   16   17   15   57   58                                       
CONECT   17   13   16   59   60                                       
CONECT   18   19   19   11   61                                       
CONECT   19    9   18   18   62                                       
CONECT   20   21   21    4   63                                       
CONECT   21   20   20   22   64                                       
CONECT   22   21   24   23   23                                       
CONECT   23   22   22    3   65                                       
CONECT   24   34   22   38   38                                       
CONECT   25   30   41   26   26                                       
CONECT   26   25   25   27   66                                       
CONECT   27   28   28   26   67                                       
CONECT   28   29   27   27   68                                       
CONECT   29   30   30   28   69                                       
CONECT   30   31   29   29   25                                       
CONECT   31   30   70   71   72                                       
CONECT   32    8    7    9                                            
CONECT   33   11   12   73                                            
CONECT   34   41   24   74                                            
CONECT   35    3    2                                                 
CONECT   36   12   12                                                 
CONECT   37   12   13                                                 
CONECT   38   24   24                                                 
CONECT   39   41   41                                                 
CONECT   40   41   41                                                 
CONECT   41   39   39   25   34                                       
CONECT   41   40   40                                                 
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51   10                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   23                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
