COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNK     1      -8.804  -1.154   0.632  1.00  0.00           O  
HETATM    2  C   UNK     1      -7.979  -1.263  -0.244  1.00  0.00           C  
HETATM    3  O   UNK     1      -7.950  -2.369  -1.005  1.00  0.00           O  
HETATM    4  C   UNK     1      -6.986  -0.155  -0.487  1.00  0.00           C  
HETATM    5  N   UNK     1      -7.494   1.094   0.096  1.00  0.00           N  
HETATM    6  C   UNK     1      -5.650  -0.516   0.166  1.00  0.00           C  
HETATM    7  C   UNK     1      -4.608   0.547  -0.185  1.00  0.00           C  
HETATM    8  S   UNK     1      -3.024   0.120   0.589  1.00  0.00           S  
HETATM    9  C   UNK     1      -1.936   1.474   0.066  1.00  0.00           C  
HETATM   10  C   UNK     1      -0.537   1.257   0.647  1.00  0.00           C  
HETATM   11  C   UNK     1       0.114   0.003   0.024  1.00  0.00           C  
HETATM   12  C   UNK     1       0.392   2.426   0.257  1.00  0.00           C  
HETATM   13  O   UNK     1       0.924   3.048   1.429  1.00  0.00           O  
HETATM   14  C   UNK     1       1.525   1.780  -0.568  1.00  0.00           C  
HETATM   15  N   UNK     1       1.548   0.361  -0.127  1.00  0.00           N  
HETATM   16  C   UNK     1       2.201  -0.492  -1.130  1.00  0.00           C  
HETATM   17  C   UNK     1       3.691  -0.273  -1.082  1.00  0.00           C  
HETATM   18  C   UNK     1       4.414   0.498  -1.916  1.00  0.00           C  
HETATM   19  N   UNK     1       5.731   0.453  -1.564  1.00  0.00           N  
HETATM   20  C   UNK     1       5.894  -0.365  -0.471  1.00  0.00           C  
HETATM   21  C   UNK     1       4.622  -0.850  -0.118  1.00  0.00           C  
HETATM   22  N   UNK     1       4.507  -1.676   0.926  1.00  0.00           N  
HETATM   23  C   UNK     1       5.569  -2.030   1.615  1.00  0.00           C  
HETATM   24  N   UNK     1       6.782  -1.597   1.317  1.00  0.00           N  
HETATM   25  C   UNK     1       6.990  -0.770   0.298  1.00  0.00           C  
HETATM   26  N   UNK     1       8.268  -0.325  -0.002  1.00  0.00           N  
HETATM   27  H   UNK     1      -8.609  -3.050  -0.814  1.00  0.00           H  
HETATM   28  H   UNK     1      -6.843  -0.024  -1.559  1.00  0.00           H  
HETATM   29  H   UNK     1      -7.635   0.998   1.090  1.00  0.00           H  
HETATM   30  H   UNK     1      -6.877   1.865  -0.109  1.00  0.00           H  
HETATM   31  H   UNK     1      -5.774  -0.560   1.248  1.00  0.00           H  
HETATM   32  H   UNK     1      -5.317  -1.487  -0.201  1.00  0.00           H  
HETATM   33  H   UNK     1      -4.484   0.591  -1.267  1.00  0.00           H  
HETATM   34  H   UNK     1      -4.941   1.518   0.182  1.00  0.00           H  
HETATM   35  H   UNK     1      -1.878   1.495  -1.022  1.00  0.00           H  
HETATM   36  H   UNK     1      -2.336   2.421   0.427  1.00  0.00           H  
HETATM   37  H   UNK     1      -0.589   1.158   1.731  1.00  0.00           H  
HETATM   38  H   UNK     1       0.004  -0.853   0.690  1.00  0.00           H  
HETATM   39  H   UNK     1      -0.329  -0.211  -0.949  1.00  0.00           H  
HETATM   40  H   UNK     1      -0.149   3.154  -0.347  1.00  0.00           H  
HETATM   41  H   UNK     1       1.550   3.762   1.245  1.00  0.00           H  
HETATM   42  H   UNK     1       1.304   1.843  -1.633  1.00  0.00           H  
HETATM   43  H   UNK     1       2.478   2.261  -0.347  1.00  0.00           H  
HETATM   44  H   UNK     1       1.980  -1.538  -0.916  1.00  0.00           H  
HETATM   45  H   UNK     1       1.827  -0.237  -2.122  1.00  0.00           H  
HETATM   46  H   UNK     1       4.011   1.066  -2.741  1.00  0.00           H  
HETATM   47  H   UNK     1       6.445   0.927  -2.018  1.00  0.00           H  
HETATM   48  H   UNK     1       5.447  -2.701   2.452  1.00  0.00           H  
HETATM   49  H   UNK     1       9.021  -0.616   0.534  1.00  0.00           H  
HETATM   50  H   UNK     1       8.408   0.279  -0.748  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   27                                                 
CONECT    4    2    6    5   28                                       
CONECT    5    4   29   30                                            
CONECT    6    4    7   31   32                                       
CONECT    7    6    8   33   34                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   35   36                                       
CONECT   10    9   12   11   37                                       
CONECT   11   10   15   38   39                                       
CONECT   12   14   10   13   40                                       
CONECT   13   12   41                                                 
CONECT   14   12   15   42   43                                       
CONECT   15   14   11   16                                            
CONECT   16   15   17   44   45                                       
CONECT   17   21   16   18   18                                       
CONECT   18   17   17   19   46                                       
CONECT   19   20   18   47                                            
CONECT   20   25   25   21   19                                       
CONECT   21   22   22   20   17                                       
CONECT   22   23   21   21                                            
CONECT   23   24   24   22   48                                       
CONECT   24   23   23   25                                            
CONECT   25   24   26   20   20                                       
CONECT   26   25   49   50                                            
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   23                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
