COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.964  -0.377   0.002  1.00  0.00           C  
HETATM    2  C   UNL     1       1.023   0.331  -0.004  1.00  0.00           C  
HETATM    3  C   UNL     1       0.029  -0.623  -0.004  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.306  -0.231  -0.002  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.625   1.141   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.596   2.093   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       0.706   1.684  -0.002  1.00  0.00           C  
HETATM    8  CA  UNL     1      -3.538  -0.026   0.001  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.037   1.238   0.002  1.00  0.00           C  
HETATM   10  I   UNL     1       3.032  -0.263   0.001  1.00  0.00           I  
HETATM   11  N   UNL     1      -2.491  -0.928  -0.001  1.00  0.00           N  
HETATM   12  O   UNL     1      -5.806   0.500  -0.001  1.00  0.00           O  
HETATM   13  OXT UNL     1      -5.340  -1.672   0.001  1.00  0.00           O  
HETATM   14  H   UNL     1       0.286  -1.672  -0.006  1.00  0.00           H  
HETATM   15  H   UNL     1      -0.833   3.146   0.002  1.00  0.00           H  
HETATM   16  H   UNL     1       1.497   2.420  -0.002  1.00  0.00           H  
HETATM   17  H   UNL     1      -3.614   2.151   0.004  1.00  0.00           H  
HETATM   18  H   UNL     1      -2.578  -1.895  -0.003  1.00  0.00           H  
HETATM   19  HXT UNL     1      -6.290  -1.854   0.002  1.00  0.00           H  
CONECT    1   12   12    8   13                                       
CONECT    2   10    7    7    3                                       
CONECT    3    2    4    4   14                                       
CONECT    4    3    3    5   11                                       
CONECT    5    6    6    4    9                                       
CONECT    6    7    5    5   15                                       
CONECT    7    2    2    6   16                                       
CONECT    8   11    9    9    1                                       
CONECT    9    5    8    8   17                                       
CONECT   10    2                                                      
CONECT   11    4    8   18                                            
CONECT   12    1    1                                                 
CONECT   13    1   19                                                 
CONECT   14    3                                                      
CONECT   15    6                                                      
CONECT   16    7                                                      
CONECT   17    9                                                      
CONECT   18   11                                                      
CONECT   19   13                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
