COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNK A   0      -2.071   1.676  -1.458  1.00  0.00           O  
HETATM    2  C   UNK A   0      -1.702   1.863  -0.317  1.00  0.00           C  
HETATM    3  C   UNK A   0      -1.686   3.259   0.250  1.00  0.00           C  
ATOM      4  N   TYR A   1      -1.313   0.822   0.444  1.00  0.00           N  
ATOM      5  CA  TYR A   1      -1.334  -0.536  -0.106  1.00  0.00           C  
ATOM      6  C   TYR A   1      -2.714  -1.121   0.054  1.00  0.00           C  
ATOM      7  O   TYR A   1      -3.589  -0.471   0.575  1.00  0.00           O  
ATOM      8  OXT TYR A   1      -2.970  -2.365  -0.381  1.00  0.00           O  
ATOM      9  CB  TYR A   1      -0.322  -1.406   0.642  1.00  0.00           C  
ATOM     10  CG  TYR A   1       1.071  -0.892   0.382  1.00  0.00           C  
ATOM     11  CD2 TYR A   1       1.793  -1.372  -0.695  1.00  0.00           C  
ATOM     12  CE2 TYR A   1       3.070  -0.903  -0.936  1.00  0.00           C  
ATOM     13  CZ  TYR A   1       3.627   0.051  -0.097  1.00  0.00           C  
ATOM     14  CE1 TYR A   1       2.900   0.531   0.983  1.00  0.00           C  
ATOM     15  CD1 TYR A   1       1.622   0.063   1.216  1.00  0.00           C  
ATOM     16  OH  TYR A   1       4.884   0.513  -0.331  1.00  0.00           O  
HETATM   17  H   UNK A   0      -2.647   3.472   0.719  1.00  0.00           H  
HETATM   18  H   UNK A   0      -0.893   3.340   0.994  1.00  0.00           H  
HETATM   19  H   UNK A   0      -1.506   3.975  -0.552  1.00  0.00           H  
ATOM     20  H   TYR A   1      -1.018   0.971   1.356  1.00  0.00           H  
ATOM     21  HA  TYR A   1      -1.074  -0.504  -1.164  1.00  0.00           H  
ATOM     22  HXT TYR A   1      -3.870  -2.697  -0.256  1.00  0.00           H  
ATOM     23  HB1 TYR A   1      -0.529  -1.366   1.712  1.00  0.00           H  
ATOM     24  HB2 TYR A   1      -0.400  -2.436   0.294  1.00  0.00           H  
ATOM     25  HD2 TYR A   1       1.359  -2.115  -1.348  1.00  0.00           H  
ATOM     26  HE2 TYR A   1       3.634  -1.279  -1.777  1.00  0.00           H  
ATOM     27  HE1 TYR A   1       3.332   1.274   1.637  1.00  0.00           H  
ATOM     28  HD1 TYR A   1       1.054   0.440   2.053  1.00  0.00           H  
ATOM     29  HH  TYR A   1       4.916   1.288  -0.909  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   17   18   19                                       
CONECT    4    2    5   20                                            
CONECT    5    4    9    6   21                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   22                                                 
CONECT    9    5   10   23   24                                       
CONECT   10    9   15   15   11                                       
CONECT   11   10   12   12   25                                       
CONECT   12   11   11   13   26                                       
CONECT   13   12   14   14   16                                       
CONECT   14   13   13   15   27                                       
CONECT   15   10   10   14   28                                       
CONECT   16   13   29                                                 
CONECT   17    3                                                      
CONECT   18    3                                                      
CONECT   19    3                                                      
CONECT   20    4                                                      
CONECT   21    5                                                      
CONECT   22    8                                                      
CONECT   23    9                                                      
CONECT   24    9                                                      
CONECT   25   11                                                      
CONECT   26   12                                                      
CONECT   27   14                                                      
CONECT   28   15                                                      
CONECT   29   16                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
