COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.645  -0.170  -0.036  1.00  0.00           C  
HETATM    2  OXT UNL     1      -3.032  -1.455  -0.080  1.00  0.00           O  
HETATM    3  CA  UNL     1      -1.231   0.203  -0.395  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.173   1.631  -0.735  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.311  -0.075   0.795  1.00  0.00           C  
HETATM    6  C   UNL     1       1.119   0.182   0.397  1.00  0.00           C  
HETATM    7  C   UNL     1       1.756   1.369   0.412  1.00  0.00           C  
HETATM    8  N   UNL     1       3.012   1.171  -0.014  1.00  0.00           N  
HETATM    9  C   UNL     1       3.178  -0.093  -0.293  1.00  0.00           C  
HETATM   10  N   UNL     1       2.023  -0.746  -0.046  1.00  0.00           N  
HETATM   11  O   UNL     1       1.787  -2.132  -0.219  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.433   0.687   0.288  1.00  0.00           O  
HETATM   13  HXT UNL     1      -3.950  -1.646   0.159  1.00  0.00           H  
HETATM   14  HA  UNL     1      -0.905  -0.387  -1.252  1.00  0.00           H  
HETATM   15  H1  UNL     1      -1.721   1.829  -1.559  1.00  0.00           H  
HETATM   16  H2  UNL     1      -1.470   2.201   0.043  1.00  0.00           H  
HETATM   17  H   UNL     1      -0.581   0.580   1.624  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.421  -1.115   1.104  1.00  0.00           H  
HETATM   19  H   UNL     1       1.330   2.314   0.715  1.00  0.00           H  
HETATM   20  H   UNL     1       4.090  -0.542  -0.657  1.00  0.00           H  
HETATM   21  H   UNL     1       1.983  -2.665   0.563  1.00  0.00           H  
CONECT    1    3   12   12    2                                       
CONECT    2    1   13                                                 
CONECT    3    5    4    1   14                                       
CONECT    4    3   15   16                                            
CONECT    5    6    3   17   18                                       
CONECT    6    7    7   10    5                                       
CONECT    7    8    6    6   19                                       
CONECT    8    9    9    7                                            
CONECT    9    8    8   10   20                                       
CONECT   10    9   11    6                                            
CONECT   11   10   21                                                 
CONECT   12    1    1                                                 
CONECT   13    2                                                      
CONECT   14    3                                                      
CONECT   15    4                                                      
CONECT   16    4                                                      
CONECT   17    5                                                      
CONECT   18    5                                                      
CONECT   19    7                                                      
CONECT   20    9                                                      
CONECT   21   11                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
