COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.082   0.559  -0.071  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.984   0.487  -1.273  1.00  0.00           O  
HETATM    3  O   UNL     1      -2.747   1.583   0.488  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.464  -0.503   0.801  1.00  0.00           C  
HETATM    5  C   UNL     1       2.190   0.497  -0.007  1.00  0.00           C  
HETATM    6  OXT UNL     1       2.601   1.512   0.770  1.00  0.00           O  
HETATM    7  O   UNL     1       2.998  -0.263  -0.486  1.00  0.00           O  
HETATM    8  CA  UNL     1       0.720   0.305  -0.280  1.00  0.00           C  
HETATM    9  N   UNL     1       0.550  -0.520  -1.484  1.00  0.00           N  
HETATM   10  C   UNL     1       0.066  -0.394   0.913  1.00  0.00           C  
HETATM   11  C   UNL     1       0.103  -1.929   0.825  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.236  -1.840   0.075  1.00  0.00           C  
HETATM   13  H   UNL     1      -3.130   2.237  -0.112  1.00  0.00           H  
HETATM   14  H   UNL     1      -1.967  -0.608   1.762  1.00  0.00           H  
HETATM   15  HXT UNL     1       3.553   1.594   0.916  1.00  0.00           H  
HETATM   16  HA  UNL     1       0.250   1.276  -0.436  1.00  0.00           H  
HETATM   17  H1  UNL     1       0.917  -0.051  -2.299  1.00  0.00           H  
HETATM   18  H2  UNL     1       0.978  -1.426  -1.365  1.00  0.00           H  
HETATM   19  H   UNL     1       0.406  -0.002   1.872  1.00  0.00           H  
HETATM   20  H   UNL     1       0.921  -2.311   0.215  1.00  0.00           H  
HETATM   21  H   UNL     1       0.030  -2.423   1.794  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.947  -2.616   0.358  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.126  -1.737  -1.004  1.00  0.00           H  
CONECT    1    4    2    2    3                                       
CONECT    2    1    1                                                 
CONECT    3    1   13                                                 
CONECT    4   10    1   12   14                                       
CONECT    5    7    7    6    8                                       
CONECT    6    5   15                                                 
CONECT    7    5    5                                                 
CONECT    8    5    9   10   16                                       
CONECT    9    8   17   18                                            
CONECT   10    8    4   11   19                                       
CONECT   11   10   12   20   21                                       
CONECT   12    4   11   22   23                                       
CONECT   13    3                                                      
CONECT   14    4                                                      
CONECT   15    6                                                      
CONECT   16    8                                                      
CONECT   17    9                                                      
CONECT   18    9                                                      
CONECT   19   10                                                      
CONECT   20   11                                                      
CONECT   21   11                                                      
CONECT   22   12                                                      
CONECT   23   12                                                      
MASTER        0    0    0    0    0    0    0    0   23    0   23    0
END
