COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   0       1.319  -3.670   0.192  1.00  0.00           N  
HETATM    2  C   UNK A   0       0.061  -3.621  -0.197  1.00  0.00           C  
HETATM    3  C   UNK A   0      -0.779  -4.872  -0.163  1.00  0.00           C  
HETATM    4  C   UNK A   0      -0.499  -2.430  -0.635  1.00  0.00           C  
HETATM    5  O   UNK A   0      -1.798  -2.384  -1.033  1.00  0.00           O  
HETATM    6  C   UNK A   0       0.287  -1.283  -0.660  1.00  0.00           C  
HETATM    7  C   UNK A   0      -0.280   0.032  -1.129  1.00  0.00           C  
HETATM    8  C   UNK A   0       1.606  -1.379  -0.244  1.00  0.00           C  
HETATM    9  C   UNK A   0       2.092  -2.602   0.180  1.00  0.00           C  
HETATM   10  C   UNK A   0       2.499  -0.165  -0.254  1.00  0.00           C  
HETATM   11  O   UNK A   0       3.798  -0.526   0.218  1.00  0.00           O  
HETATM   12  P   UNK A   0       5.010   0.526   0.340  1.00  0.00           P  
HETATM   13  O   UNK A   0       4.585   1.674   1.173  1.00  0.00           O  
HETATM   14  O   UNK A   0       6.278  -0.192   1.025  1.00  0.00           O  
HETATM   15  O   UNK A   0       5.417   1.050  -1.127  1.00  0.00           O  
ATOM     16  N   TYR A   1      -0.852   0.754   0.016  1.00  0.00           N  
ATOM     17  CA  TYR A   1      -1.416   2.044  -0.404  1.00  0.00           C  
ATOM     18  C   TYR A   1      -0.326   3.083  -0.432  1.00  0.00           C  
ATOM     19  O   TYR A   1       0.805   2.781  -0.133  1.00  0.00           O  
ATOM     20  CB  TYR A   1      -2.503   2.471   0.585  1.00  0.00           C  
ATOM     21  CG  TYR A   1      -3.650   1.495   0.523  1.00  0.00           C  
ATOM     22  CD1 TYR A   1      -3.658   0.387   1.350  1.00  0.00           C  
ATOM     23  CD2 TYR A   1      -4.695   1.713  -0.355  1.00  0.00           C  
ATOM     24  CE1 TYR A   1      -4.708  -0.509   1.295  1.00  0.00           C  
ATOM     25  CE2 TYR A   1      -5.748   0.821  -0.413  1.00  0.00           C  
ATOM     26  CZ  TYR A   1      -5.755  -0.296   0.410  1.00  0.00           C  
ATOM     27  OH  TYR A   1      -6.789  -1.176   0.355  1.00  0.00           O  
ATOM     28  OXT TYR A   1      -0.611   4.345  -0.789  1.00  0.00           O  
HETATM   29  H   UNK A   0      -1.270  -4.955   0.807  1.00  0.00           H  
HETATM   30  H   UNK A   0      -1.533  -4.825  -0.949  1.00  0.00           H  
HETATM   31  H   UNK A   0      -0.142  -5.742  -0.323  1.00  0.00           H  
HETATM   32  H   UNK A   0      -2.421  -2.183  -0.322  1.00  0.00           H  
HETATM   33  H   UNK A   0       0.512   0.631  -1.577  1.00  0.00           H  
HETATM   34  H   UNK A   0       3.118  -2.682   0.506  1.00  0.00           H  
HETATM   35  H   UNK A   0       2.575   0.222  -1.270  1.00  0.00           H  
HETATM   36  H   UNK A   0       2.076   0.601   0.396  1.00  0.00           H  
HETATM   37  H   UNK A   0       7.047   0.384   1.130  1.00  0.00           H  
HETATM   38  H   UNK A   0       5.707   0.350  -1.728  1.00  0.00           H  
ATOM     39  H   TYR A   1      -0.165   0.879   0.744  1.00  0.00           H  
ATOM     40  HA  TYR A   1      -1.849   1.944  -1.399  1.00  0.00           H  
ATOM     41  HB1 TYR A   1      -2.091   2.484   1.594  1.00  0.00           H  
ATOM     42  HB2 TYR A   1      -2.859   3.467   0.325  1.00  0.00           H  
ATOM     43  HD1 TYR A   1      -2.842   0.221   2.038  1.00  0.00           H  
ATOM     44  HD2 TYR A   1      -4.689   2.582  -0.997  1.00  0.00           H  
ATOM     45  HE1 TYR A   1      -4.714  -1.375   1.941  1.00  0.00           H  
ATOM     46  HE2 TYR A   1      -6.564   0.992  -1.099  1.00  0.00           H  
ATOM     47  HH  TYR A   1      -7.516  -0.967   0.957  1.00  0.00           H  
ATOM     48  HXT TYR A   1       0.121   4.977  -0.792  1.00  0.00           H  
HETATM   49  H   UNK A   0      -1.059  -0.152  -1.869  1.00  0.00           H  
CONECT    1    2    2    9                                            
CONECT    2    1    1    3    4                                       
CONECT    3    2   29   30   31                                       
CONECT    4    2    5    6    6                                       
CONECT    5    4   32                                                 
CONECT    6    4    4    7    8                                       
CONECT    7    6   33   16   49                                       
CONECT    8    6    9    9   10                                       
CONECT    9    1    8    8   34                                       
CONECT   10    8   11   35   36                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   13   14                                       
CONECT   12   15                                                      
CONECT   13   12   12                                                 
CONECT   14   12   37                                                 
CONECT   15   12   38                                                 
CONECT   16   17   39    7                                            
CONECT   17   16   18   20   40                                       
CONECT   18   17   19   19   28                                       
CONECT   19   18   18                                                 
CONECT   20   17   21   41   42                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21   24   43                                       
CONECT   23   21   25   25   44                                       
CONECT   24   22   26   26   45                                       
CONECT   25   23   23   26   46                                       
CONECT   26   24   24   25   27                                       
CONECT   27   26   47                                                 
CONECT   28   18   48                                                 
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49    7                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
