COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.530   2.410  -2.173  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.260   2.177  -0.685  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.860   3.406  -0.075  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.145   1.141  -0.525  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.469  -0.153  -1.141  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.264  -1.044  -0.433  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.857  -2.042  -1.087  1.00  0.00           N  
HETATM    8  C   UNL     1      -5.616  -2.908  -0.447  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.270  -4.022  -1.222  1.00  0.00           C  
HETATM   10  N   UNL     1      -5.819  -2.827   0.853  1.00  0.00           N  
HETATM   11  C   UNL     1      -5.264  -1.861   1.571  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.463  -0.929   0.939  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.838   0.181   1.747  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.817   0.835   0.899  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.538   1.175   1.280  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.148   1.005   2.726  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.637   1.645   0.435  1.00  0.00           C  
HETATM   18  C   UNL     1       0.791   2.035   0.719  1.00  0.00           C  
HETATM   19  C   UNL     1       1.714   0.857   0.401  1.00  0.00           C  
HETATM   20  O   UNL     1       3.068   1.226   0.671  1.00  0.00           O  
HETATM   21  P   UNL     1       3.978  -0.053   0.316  1.00  0.00           P  
HETATM   22  O   UNL     1       3.623  -1.260   1.321  1.00  0.00           O  
HETATM   23  O   UNL     1       3.713  -0.477  -1.077  1.00  0.00           O  
HETATM   24  O   UNL     1       5.533   0.335   0.473  1.00  0.00           O  
HETATM   25  P   UNL     1       6.371  -0.747  -0.376  1.00  0.00           P  
HETATM   26  O   UNL     1       6.329  -0.355  -1.936  1.00  0.00           O  
HETATM   27  O   UNL     1       7.898  -0.762   0.133  1.00  0.00           O  
HETATM   28  O   UNL     1       5.775  -2.089  -0.188  1.00  0.00           O  
HETATM   29  S   UNL     1      -1.520   1.724  -1.146  1.00  0.00           S  
HETATM   30  H   UNL     1      -3.623   2.776  -2.654  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.835   1.473  -2.638  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.324   3.148  -2.287  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.168   1.811  -0.204  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.056   3.694  -0.529  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.134  -0.380  -2.023  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.607  -4.887  -1.244  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.209  -4.296  -0.742  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.466  -3.689  -2.242  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.435  -1.803   2.635  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.601   0.905   2.033  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.367  -0.232   2.639  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.740   0.005   2.877  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.395   1.748   2.989  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.026   1.138   3.357  1.00  0.00           H  
HETATM   45  H   UNL     1       1.065   2.889   0.099  1.00  0.00           H  
HETATM   46  H   UNL     1       0.892   2.302   1.771  1.00  0.00           H  
HETATM   47  H   UNL     1       1.440   0.003   1.021  1.00  0.00           H  
HETATM   48  H   UNL     1       1.613   0.589  -0.650  1.00  0.00           H  
HETATM   49  H   UNL     1       3.810  -0.943   2.216  1.00  0.00           H  
HETATM   50  H   UNL     1       6.725   0.524  -2.014  1.00  0.00           H  
HETATM   51  H   UNL     1       8.363  -1.422  -0.399  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    1    3    4   33                                       
CONECT    3    2   34                                                 
CONECT    4    2    5   14   29                                       
CONECT    5    4    6   35                                            
CONECT    6    5    7    7   12                                       
CONECT    7    6    6    8                                            
CONECT    8    7    9   10   10                                       
CONECT    9    8   36   37   38                                       
CONECT   10    8    8   11                                            
CONECT   11   10   12   12   39                                       
CONECT   12    6   11   11   13                                       
CONECT   13   12   14   40   41                                       
CONECT   14    4   13   15                                            
CONECT   15   14   16   17   17                                       
CONECT   16   15   42   43   44                                       
CONECT   17   15   15   18   29                                       
CONECT   18   17   19   45   46                                       
CONECT   19   18   20   47   48                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   23   23                                       
CONECT   21   24                                                      
CONECT   22   21   49                                                 
CONECT   23   21   21                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   27   28                                       
CONECT   25   28                                                      
CONECT   26   25   50                                                 
CONECT   27   25   51                                                 
CONECT   28   25   25                                                 
CONECT   29    4   17                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    5                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   22                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
