COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.524  -0.194  -0.624  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.838  -1.327  -0.230  1.00  0.00           C  
HETATM    3  C   UNL     1       0.526  -1.269  -0.014  1.00  0.00           C  
HETATM    4  C   UNL     1       1.204  -0.078  -0.193  1.00  0.00           C  
HETATM    5  I   UNL     1       3.272   0.010   0.134  1.00  0.00           I  
HETATM    6  C   UNL     1       0.518   1.056  -0.588  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.845   0.997  -0.808  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.011  -0.257  -0.860  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.475   1.451   0.833  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.230  -0.121   0.239  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.766  -1.351   0.276  1.00  0.00           O  
HETATM   12  OXT UNL     1      -5.936   0.840   0.043  1.00  0.00           O  
HETATM   13  CA  UNL     1      -3.748   0.062   0.443  1.00  0.00           C  
HETATM   14  H   UNL     1      -1.368  -2.258  -0.090  1.00  0.00           H  
HETATM   15  H   UNL     1       1.062  -2.155   0.295  1.00  0.00           H  
HETATM   16  H   UNL     1       1.048   1.987  -0.727  1.00  0.00           H  
HETATM   17  H   UNL     1      -1.381   1.882  -1.117  1.00  0.00           H  
HETATM   18  H   UNL     1      -3.284  -1.257  -1.196  1.00  0.00           H  
HETATM   19  H   UNL     1      -3.290   0.471  -1.622  1.00  0.00           H  
HETATM   20  H1  UNL     1      -2.471   1.554   0.856  1.00  0.00           H  
HETATM   21  H2  UNL     1      -3.808   2.035   0.080  1.00  0.00           H  
HETATM   22  H   UNL     1      -6.717  -1.469   0.146  1.00  0.00           H  
HETATM   23  HA  UNL     1      -3.403  -0.611   1.229  1.00  0.00           H  
CONECT    1    2    2    7    8                                       
CONECT    2    1    1    3   14                                       
CONECT    3    2    4    4   15                                       
CONECT    4    3    3    5    6                                       
CONECT    5    4                                                      
CONECT    6    4    7    7   16                                       
CONECT    7    1    6    6   17                                       
CONECT    8    1   13   18   19                                       
CONECT    9   13   20   21                                            
CONECT   10   11   12   12   13                                       
CONECT   11   10   22                                                 
CONECT   12   10   10                                                 
CONECT   13    8    9   10   23                                       
CONECT   14    2                                                      
CONECT   15    3                                                      
CONECT   16    6                                                      
CONECT   17    7                                                      
CONECT   18    8                                                      
CONECT   19    8                                                      
CONECT   20    9                                                      
CONECT   21    9                                                      
CONECT   22   11                                                      
CONECT   23   13                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
