COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0      -0.023  -3.515   1.870  1.00  0.00           C  
HETATM    2  C   UNK A   0      -0.050  -4.971   1.401  1.00  0.00           C  
HETATM    3  C   UNK A   0       0.969  -5.164   0.277  1.00  0.00           C  
HETATM    4  C   UNK A   0       0.304  -5.890   2.573  1.00  0.00           C  
HETATM    5  C   UNK A   0      -0.490  -2.619   0.751  1.00  0.00           C  
HETATM    6  O   UNK A   0      -0.812  -3.099  -0.315  1.00  0.00           O  
HETATM    7  N   UNK A   1      -0.550  -1.286   0.936  1.00  0.00           N  
HETATM    8  C   UNK A   1      -1.004  -0.415  -0.152  1.00  0.00           C  
HETATM    9  C   UNK A   1      -0.077  -0.580  -1.358  1.00  0.00           C  
HETATM   10  C   UNK A   1       1.302  -0.088  -1.002  1.00  0.00           C  
HETATM   11  C   UNK A   1       2.229  -0.960  -0.463  1.00  0.00           C  
HETATM   12  C   UNK A   1       1.642   1.234  -1.221  1.00  0.00           C  
HETATM   13  C   UNK A   1       3.494  -0.509  -0.137  1.00  0.00           C  
HETATM   14  C   UNK A   1       2.907   1.686  -0.896  1.00  0.00           C  
HETATM   15  C   UNK A   1       3.833   0.815  -0.350  1.00  0.00           C  
HETATM   16  I   UNK A   1       5.750   1.500   0.144  1.00  0.00           I  
HETATM   17  C   UNK A   1      -2.410  -0.792  -0.543  1.00  0.00           C  
HETATM   18  O   UNK A   1      -2.847  -1.886  -0.255  1.00  0.00           O  
ATOM     19  N   TYR A   2      -3.181   0.087  -1.214  1.00  0.00           N  
ATOM     20  CA  TYR A   2      -4.547  -0.279  -1.594  1.00  0.00           C  
ATOM     21  C   TYR A   2      -4.521  -1.031  -2.900  1.00  0.00           C  
ATOM     22  O   TYR A   2      -3.469  -1.239  -3.455  1.00  0.00           O  
ATOM     23  CB  TYR A   2      -5.390   0.988  -1.753  1.00  0.00           C  
ATOM     24  CG  TYR A   2      -5.518   1.676  -0.418  1.00  0.00           C  
ATOM     25  CD1 TYR A   2      -4.585   2.622  -0.036  1.00  0.00           C  
ATOM     26  CD2 TYR A   2      -6.573   1.364   0.421  1.00  0.00           C  
ATOM     27  CE1 TYR A   2      -4.700   3.254   1.187  1.00  0.00           C  
ATOM     28  CE2 TYR A   2      -6.693   1.994   1.644  1.00  0.00           C  
ATOM     29  CZ  TYR A   2      -5.754   2.939   2.033  1.00  0.00           C  
ATOM     30  OH  TYR A   2      -5.870   3.558   3.236  1.00  0.00           O  
HETATM   31  H   UNK A   0      -0.684  -3.398   2.729  1.00  0.00           H  
HETATM   32  H   UNK A   0       0.993  -3.243   2.153  1.00  0.00           H  
HETATM   33  H   UNK A   0      -1.046  -5.217   1.035  1.00  0.00           H  
HETATM   34  H   UNK A   0       0.951  -6.202  -0.057  1.00  0.00           H  
HETATM   35  H   UNK A   0       0.717  -4.510  -0.558  1.00  0.00           H  
HETATM   36  H   UNK A   0       1.966  -4.918   0.643  1.00  0.00           H  
HETATM   37  H   UNK A   0      -0.422  -5.753   3.374  1.00  0.00           H  
HETATM   38  H   UNK A   0       0.285  -6.927   2.239  1.00  0.00           H  
HETATM   39  H   UNK A   0       1.301  -5.644   2.939  1.00  0.00           H  
HETATM   40  H   UNK A   1      -0.292  -0.902   1.789  1.00  0.00           H  
HETATM   41  H   UNK A   1      -0.985   0.622   0.182  1.00  0.00           H  
HETATM   42  H   UNK A   1      -0.027  -1.633  -1.636  1.00  0.00           H  
HETATM   43  H   UNK A   1      -0.465  -0.001  -2.196  1.00  0.00           H  
HETATM   44  H   UNK A   1       1.965  -1.994  -0.296  1.00  0.00           H  
HETATM   45  H   UNK A   1       0.919   1.914  -1.647  1.00  0.00           H  
HETATM   46  H   UNK A   1       4.219  -1.190   0.286  1.00  0.00           H  
HETATM   47  H   UNK A   1       3.172   2.719  -1.067  1.00  0.00           H  
ATOM     48  H   TYR A   2      -2.831   0.962  -1.444  1.00  0.00           H  
ATOM     49  HA  TYR A   2      -4.983  -0.910  -0.820  1.00  0.00           H  
ATOM     50  H   TYR A   2      -5.442  -1.383  -3.339  1.00  0.00           H  
ATOM     51  HB1 TYR A   2      -4.906   1.660  -2.462  1.00  0.00           H  
ATOM     52  HB2 TYR A   2      -6.380   0.723  -2.121  1.00  0.00           H  
ATOM     53  HD1 TYR A   2      -3.764   2.867  -0.694  1.00  0.00           H  
ATOM     54  HD2 TYR A   2      -7.303   0.628   0.118  1.00  0.00           H  
ATOM     55  HE1 TYR A   2      -3.971   3.992   1.485  1.00  0.00           H  
ATOM     56  HE2 TYR A   2      -7.517   1.750   2.299  1.00  0.00           H  
ATOM     57  HH  TYR A   2      -6.392   4.372   3.211  1.00  0.00           H  
CONECT    1    2    5   31   32                                       
CONECT    2    1    3    4   33                                       
CONECT    3    2   34   35   36                                       
CONECT    4    2   37   38   39                                       
CONECT    5    1    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    8   40    5                                            
CONECT    8    7    9   17   41                                       
CONECT    9    8   10   42   43                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10   13   44                                       
CONECT   12   10   14   14   45                                       
CONECT   13   11   15   15   46                                       
CONECT   14   12   12   15   47                                       
CONECT   15   13   13   14   16                                       
CONECT   16   15                                                      
CONECT   17    8   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   20   48   17                                            
CONECT   20   19   21   23   49                                       
CONECT   21   20   22   22   50                                       
CONECT   22   21   21                                                 
CONECT   23   20   24   51   52                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24   27   53                                       
CONECT   26   24   28   28   54                                       
CONECT   27   25   29   29   55                                       
CONECT   28   26   26   29   56                                       
CONECT   29   27   27   28   30                                       
CONECT   30   29   57                                                 
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   30                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
