COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  CD1 TYR A   1      -2.628   1.129  -1.193  1.00  0.00           C  
ATOM      2  CE1 TYR A   1      -2.778   2.483  -0.963  1.00  0.00           C  
ATOM      3  CZ  TYR A   1      -3.564   2.923   0.092  1.00  0.00           C  
ATOM      4  OH  TYR A   1      -3.714   4.254   0.320  1.00  0.00           O  
ATOM      5  CE2 TYR A   1      -4.197   2.002   0.914  1.00  0.00           C  
ATOM      6  CD2 TYR A   1      -4.043   0.649   0.680  1.00  0.00           C  
ATOM      7  CG  TYR A   1      -3.260   0.213  -0.372  1.00  0.00           C  
ATOM      8  CB  TYR A   1      -3.099  -1.263  -0.629  1.00  0.00           C  
ATOM      9  CA  TYR A   1      -1.889  -1.787   0.147  1.00  0.00           C  
ATOM     10  C   TYR A   1      -1.800  -3.283  -0.012  1.00  0.00           C  
ATOM     11  O   TYR A   1      -0.818  -3.781  -0.509  1.00  0.00           O  
ATOM     12  N   TYR A   1      -0.665  -1.166  -0.377  1.00  0.00           N  
HETATM   13  C   UNK A   0       0.394  -1.148   0.641  1.00  0.00           C  
HETATM   14  C   UNK A   0       1.649  -0.495   0.060  1.00  0.00           C  
HETATM   15  N   UNK A   0       1.313   0.837  -0.459  1.00  0.00           N  
HETATM   16  C   UNK A   0       2.709  -0.363   1.156  1.00  0.00           C  
HETATM   17  C   UNK A   0       3.987   0.166   0.558  1.00  0.00           C  
HETATM   18  C   UNK A   0       4.210   1.529   0.499  1.00  0.00           C  
HETATM   19  C   UNK A   0       5.382   2.015  -0.051  1.00  0.00           C  
HETATM   20  C   UNK A   0       6.331   1.137  -0.541  1.00  0.00           C  
HETATM   21  C   UNK A   0       6.108  -0.226  -0.482  1.00  0.00           C  
HETATM   22  C   UNK A   0       4.938  -0.711   0.073  1.00  0.00           C  
ATOM     23  HD1 TYR A   1      -2.020   0.786  -2.017  1.00  0.00           H  
ATOM     24  HE1 TYR A   1      -2.284   3.198  -1.604  1.00  0.00           H  
ATOM     25  HH  TYR A   1      -4.463   4.651  -0.144  1.00  0.00           H  
ATOM     26  HE2 TYR A   1      -4.809   2.342   1.737  1.00  0.00           H  
ATOM     27  HD2 TYR A   1      -4.535  -0.069   1.320  1.00  0.00           H  
ATOM     28  HB1 TYR A   1      -3.996  -1.789  -0.302  1.00  0.00           H  
ATOM     29  HB2 TYR A   1      -2.948  -1.432  -1.696  1.00  0.00           H  
ATOM     30  HA  TYR A   1      -1.999  -1.539   1.202  1.00  0.00           H  
ATOM     31  OXT TYR A   1      -2.812  -4.063   0.401  1.00  0.00           O  
ATOM     32  H   TYR A   1      -0.850  -0.236  -0.723  1.00  0.00           H  
HETATM   33  H   UNK A   0       0.055  -0.578   1.507  1.00  0.00           H  
HETATM   34  H   UNK A   0       0.623  -2.169   0.946  1.00  0.00           H  
HETATM   35  H   UNK A   0       2.039  -1.113  -0.749  1.00  0.00           H  
HETATM   36  H   UNK A   0       0.663   0.772  -1.228  1.00  0.00           H  
HETATM   37  H   UNK A   0       0.950   1.430   0.273  1.00  0.00           H  
HETATM   38  H   UNK A   0       2.355   0.326   1.923  1.00  0.00           H  
HETATM   39  H   UNK A   0       2.894  -1.340   1.602  1.00  0.00           H  
HETATM   40  H   UNK A   0       3.469   2.215   0.882  1.00  0.00           H  
HETATM   41  H   UNK A   0       5.557   3.079  -0.097  1.00  0.00           H  
HETATM   42  H   UNK A   0       7.245   1.516  -0.974  1.00  0.00           H  
HETATM   43  H   UNK A   0       6.849  -0.912  -0.865  1.00  0.00           H  
HETATM   44  H   UNK A   0       4.764  -1.776   0.119  1.00  0.00           H  
ATOM     45  HXT TYR A   1      -2.709  -5.017   0.278  1.00  0.00           H  
CONECT    1    2    7    7   23                                       
CONECT    2    3    3    1   24                                       
CONECT    3    4    2    2    5                                       
CONECT    4    3   25                                                 
CONECT    5    3    6    6   26                                       
CONECT    6    5    5    7   27                                       
CONECT    7    1    1    6    8                                       
CONECT    8    7    9   28   29                                       
CONECT    9   12   10    8   30                                       
CONECT   10   11   11    9   31                                       
CONECT   11   10   10                                                 
CONECT   12   13    9   32                                            
CONECT   13   14   12   33   34                                       
CONECT   14   15   16   13   35                                       
CONECT   15   14   36   37                                            
CONECT   16   17   14   38   39                                       
CONECT   17   22   22   18   16                                       
CONECT   18   19   19   17   40                                       
CONECT   19   20   18   18   41                                       
CONECT   20   21   21   19   42                                       
CONECT   21   20   20   22   43                                       
CONECT   22   21   17   17   44                                       
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   10   45                                                 
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   31                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
