COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.702   0.304   0.001  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.600   2.320   0.182  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.259   2.646   0.186  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.833   4.087   0.293  1.00  0.00           C  
HETATM    5  C   UNL     1       4.778   0.421  -0.254  1.00  0.00           C  
HETATM    6  CA  UNL     1       3.311   0.098  -0.378  1.00  0.00           C  
HETATM    7  C   UNL     1       3.134  -2.236   0.301  1.00  0.00           C  
HETATM    8  C   UNL     1       2.767  -3.296   1.307  1.00  0.00           C  
HETATM    9  C   UNL     1       2.486   1.359  -0.113  1.00  0.00           C  
HETATM   10  C   UNL     1       0.139   1.980   0.097  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.299   1.638   0.095  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.046  -0.008  -0.006  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.993   0.997   0.084  1.00  0.00           C  
HETATM   14  N   UNL     1       2.954  -0.933   0.599  1.00  0.00           N  
HETATM   15  N   UNL     1       1.061   1.020  -0.116  1.00  0.00           N  
HETATM   16  O   UNL     1       5.455  -0.151   0.567  1.00  0.00           O  
HETATM   17  O   UNL     1       3.592  -2.553  -0.776  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.656  -2.178   1.199  1.00  0.00           O  
HETATM   19  O   UNL     1      -4.640  -1.712  -1.051  1.00  0.00           O  
HETATM   20  O   UNL     1       0.491   3.127   0.293  1.00  0.00           O  
HETATM   21  S   UNL     1      -3.557  -1.689  -0.131  1.00  0.00           S  
HETATM   22  H   UNL     1      -0.964  -0.481  -0.069  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.344   3.099   0.253  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.600   4.320   1.332  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.949   4.252  -0.323  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.642   4.732  -0.051  1.00  0.00           H  
HETATM   27  HA  UNL     1       3.103  -0.268  -1.384  1.00  0.00           H  
HETATM   28  H   UNL     1       2.982  -4.281   0.891  1.00  0.00           H  
HETATM   29  H   UNL     1       3.349  -3.151   2.217  1.00  0.00           H  
HETATM   30  H   UNL     1       1.704  -3.224   1.539  1.00  0.00           H  
HETATM   31  H   UNL     1       2.759   1.774   0.857  1.00  0.00           H  
HETATM   32  H   UNL     1       2.686   2.094  -0.893  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.044   0.747   0.082  1.00  0.00           H  
HETATM   34  H   UNL     1       2.588  -0.679   1.461  1.00  0.00           H  
HETATM   35  H   UNL     1       0.780   0.104  -0.272  1.00  0.00           H  
HETATM   36  F   UNL     1      -2.354  -2.503  -0.826  1.00  0.00           F  
HETATM   37  OXT UNL     1       5.331   1.345  -1.055  1.00  0.00           O  
HETATM   38  HXT UNL     1       6.275   1.519  -0.938  1.00  0.00           H  
CONECT    1   12   12   11   22                                       
CONECT    2   13   13    3   23                                       
CONECT    3    2    4   11   11                                       
CONECT    4    3   24   25   26                                       
CONECT    5    6   16   16   37                                       
CONECT    6    9   14    5   27                                       
CONECT    7    8   14   17   17                                       
CONECT    8    7   28   29   30                                       
CONECT    9   15    6   31   32                                       
CONECT   10   20   20   11   15                                       
CONECT   11    3    3    1   10                                       
CONECT   12   13   21    1    1                                       
CONECT   13    2    2   12   33                                       
CONECT   14    7    6   34                                            
CONECT   15   10    9   35                                            
CONECT   16    5    5                                                 
CONECT   17    7    7                                                 
CONECT   18   21   21                                                 
CONECT   19   21   21                                                 
CONECT   20   10   10                                                 
CONECT   21   19   19   12   18                                       
CONECT   21   18   36                                                 
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    4                                                      
CONECT   25    4                                                      
CONECT   26    4                                                      
CONECT   27    6                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   21                                                      
CONECT   37    5   38                                                 
CONECT   38   37                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
