COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      63.288  66.483  50.781  1.00  0.00           C  
HETATM    2  N   UNL     1      62.135  66.008  51.253  1.00  0.00           N  
HETATM    3  O   UNL     1      61.794  66.801  52.413  1.00  0.00           O  
HETATM    4  C   UNL     1      63.730  67.536  51.561  1.00  0.00           C  
HETATM    5  N   UNL     1      64.148  69.750  53.221  1.00  0.00           N  
HETATM    6  O   UNL     1      62.831  67.201  55.249  1.00  0.00           O  
HETATM    7  C   UNL     1      65.000  68.352  51.382  1.00  0.00           C  
HETATM    8  OXT UNL     1      63.664  69.196  55.820  1.00  0.00           O  
HETATM    9  C   UNL     1      65.325  69.006  52.728  1.00  0.00           C  
HETATM   10  O   UNL     1      63.892  66.060  49.801  1.00  0.00           O  
HETATM   11  CA  UNL     1      63.018  68.874  53.589  1.00  0.00           C  
HETATM   12  C   UNL     1      62.802  67.728  52.578  1.00  0.00           C  
HETATM   13  C   UNL     1      63.203  68.369  55.008  1.00  0.00           C  
HETATM   14  H   UNL     1      63.842  70.368  52.497  1.00  0.00           H  
HETATM   15  H   UNL     1      65.828  67.699  51.070  1.00  0.00           H  
HETATM   16  H   UNL     1      64.848  69.124  50.614  1.00  0.00           H  
HETATM   17  HXT UNL     1      63.698  68.806  56.686  1.00  0.00           H  
HETATM   18  H   UNL     1      65.595  68.227  53.456  1.00  0.00           H  
HETATM   19  H   UNL     1      66.168  69.701  52.601  1.00  0.00           H  
HETATM   20  HA  UNL     1      62.094  69.470  53.551  1.00  0.00           H  
HETATM   21  H   UNL     1      63.411  65.334  49.421  1.00  0.00           H  
CONECT    1    2    2    4   10                                       
CONECT    2    1    1    3                                            
CONECT    3    2   12                                                 
CONECT    4    1   12   12    7                                       
CONECT    5   11   14    9                                            
CONECT    6   13   13                                                 
CONECT    7    4    9   15   16                                       
CONECT    8   17   13                                                 
CONECT    9    7    5   18   19                                       
CONECT   10    1   21                                                 
CONECT   11    5   13   20   12                                       
CONECT   12    3    4    4   11                                       
CONECT   13   11    6    6    8                                       
CONECT   14    5                                                      
CONECT   15    7                                                      
CONECT   16    7                                                      
CONECT   17    8                                                      
CONECT   18    9                                                      
CONECT   19    9                                                      
CONECT   20   11                                                      
CONECT   21   10                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
