COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.064   1.377  -0.153  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.310   0.493   0.807  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.084   0.010   0.165  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.038  -1.123  -0.545  1.00  0.00           C  
HETATM    5  O   UNL     1      -2.976  -1.866  -0.739  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.923   0.669   0.237  1.00  0.00           C  
HETATM    7  C   UNL     1       0.137  -0.092  -0.527  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.636  -1.332  -1.069  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.747   1.715   0.823  1.00  0.00           O  
HETATM   10  O   UNL     1      -3.624   1.582  -1.259  1.00  0.00           O  
HETATM   11  N   UNL     1       3.689  -0.897  -0.966  1.00  0.00           N  
HETATM   12  CA  UNL     1       3.155   0.374  -0.460  1.00  0.00           C  
HETATM   13  C   UNL     1       2.360   0.119   0.822  1.00  0.00           C  
HETATM   14  C   UNL     1       1.125  -0.724   0.498  1.00  0.00           C  
HETATM   15  O   UNL     1       1.391  -2.024  -0.123  1.00  0.00           O  
HETATM   16  C   UNL     1       0.013  -2.512  -0.286  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.525  -2.385   1.171  1.00  0.00           C  
HETATM   18  C   UNL     1       0.251  -1.125   1.723  1.00  0.00           C  
HETATM   19  C   UNL     1       4.294   1.316  -0.166  1.00  0.00           C  
HETATM   20  O   UNL     1       5.410   0.882  -0.004  1.00  0.00           O  
HETATM   21  H   UNL     1      -3.052   1.062   1.699  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.933  -0.357   1.085  1.00  0.00           H  
HETATM   23  H   UNL     1       0.618   0.498  -1.306  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.589  -1.437  -2.154  1.00  0.00           H  
HETATM   25  H1  UNL     1       4.164  -0.765  -1.846  1.00  0.00           H  
HETATM   26  HA  UNL     1       2.501   0.818  -1.211  1.00  0.00           H  
HETATM   27  H   UNL     1       2.986  -0.413   1.538  1.00  0.00           H  
HETATM   28  H   UNL     1       2.047   1.071   1.251  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.092  -3.493  -0.749  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.600  -2.202   1.171  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.285  -3.277   1.750  1.00  0.00           H  
HETATM   32  H   UNL     1       0.877  -1.396   2.573  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.435  -0.320   1.988  1.00  0.00           H  
HETATM   34  O   UNL     1      -5.229   1.931   0.220  1.00  0.00           O  
HETATM   35  H   UNL     1      -5.676   2.490  -0.430  1.00  0.00           H  
HETATM   36  H2  UNL     1       4.299  -1.329  -0.287  1.00  0.00           H  
HETATM   37  OXT UNL     1       4.069   2.637  -0.083  1.00  0.00           O  
HETATM   38  HXT UNL     1       4.831   3.201   0.108  1.00  0.00           H  
CONECT    1    2   10   10   34                                       
CONECT    2    1    3   21   22                                       
CONECT    3    2    6    4                                            
CONECT    4    3    5    5    8                                       
CONECT    5    4    4                                                 
CONECT    6    3    7    9    9                                       
CONECT    7    6    8   14   23                                       
CONECT    8    4    7   16   24                                       
CONECT    9    6    6                                                 
CONECT   10    1    1                                                 
CONECT   11   12   25   36                                            
CONECT   12   11   13   19   26                                       
CONECT   13   12   14   27   28                                       
CONECT   14    7   13   15   18                                       
CONECT   15   14   16                                                 
CONECT   16    8   15   17   29                                       
CONECT   17   16   18   30   31                                       
CONECT   18   14   17   32   33                                       
CONECT   19   12   20   20   37                                       
CONECT   20   19   19                                                 
CONECT   21    2                                                      
CONECT   22    2                                                      
CONECT   23    7                                                      
CONECT   24    8                                                      
CONECT   25   11                                                      
CONECT   26   12                                                      
CONECT   27   13                                                      
CONECT   28   13                                                      
CONECT   29   16                                                      
CONECT   30   17                                                      
CONECT   31   17                                                      
CONECT   32   18                                                      
CONECT   33   18                                                      
CONECT   34    1   35                                                 
CONECT   35   34                                                      
CONECT   36   11                                                      
CONECT   37   19   38                                                 
CONECT   38   37                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
