COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.685  -0.451   1.255  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.995  -0.156   1.161  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.689  -0.186   2.159  1.00  0.00           O  
HETATM    4  N   UNL     1      -2.544   0.183  -0.019  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.789   0.222  -1.135  1.00  0.00           C  
HETATM    6  O   UNL     1      -2.287   0.524  -2.204  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.410  -0.092  -1.052  1.00  0.00           C  
HETATM    8  I   UNL     1       0.794  -0.043  -2.765  1.00  0.00           I  
HETATM    9  C   UNL     1       0.116  -0.424   0.146  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.114  -0.812   2.555  1.00  0.00           C  
HETATM   11  CA  UNL     1       0.385   0.450   3.259  1.00  0.00           C  
HETATM   12  N   UNL     1       1.415   1.096   2.434  1.00  0.00           N  
HETATM   13  C   UNL     1       0.973   0.079   4.597  1.00  0.00           C  
HETATM   14  O   UNL     1       2.147  -0.191   4.686  1.00  0.00           O  
HETATM   15  OXT UNL     1       0.192   0.051   5.688  1.00  0.00           O  
HETATM   16  H   UNL     1      -3.489   0.397  -0.068  1.00  0.00           H  
HETATM   17  H   UNL     1       1.165  -0.666   0.229  1.00  0.00           H  
HETATM   18  H   UNL     1       0.717  -1.500   2.408  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.878  -1.291   3.167  1.00  0.00           H  
HETATM   20  HA  UNL     1      -0.446   1.138   3.406  1.00  0.00           H  
HETATM   21  H1  UNL     1       2.161   0.426   2.325  1.00  0.00           H  
HETATM   22  H2  UNL     1       1.010   1.232   1.520  1.00  0.00           H  
HETATM   23  HXT UNL     1       0.569  -0.186   6.546  1.00  0.00           H  
CONECT    1    2    9   10                                            
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   16                                            
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8    9    9                                       
CONECT    8    7                                                      
CONECT    9    1    7    7   17                                       
CONECT   10    1   11   18   19                                       
CONECT   11   10   12   13   20                                       
CONECT   12   11   21   22                                            
CONECT   13   11   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   23                                                 
CONECT   16    4                                                      
CONECT   17    9                                                      
CONECT   18   10                                                      
CONECT   19   10                                                      
CONECT   20   11                                                      
CONECT   21   12                                                      
CONECT   22   12                                                      
CONECT   23   15                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
