COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0      -3.794  -3.610   0.534  1.00  0.00           C  
HETATM    2  C   UNK A   0      -3.356  -0.478  -0.393  1.00  0.00           C  
HETATM    3  C   UNK A   0      -3.410   1.046  -0.522  1.00  0.00           C  
HETATM    4  C   UNK A   0      -4.837   1.478  -0.864  1.00  0.00           C  
HETATM    5  C   UNK A   0      -4.866   2.987  -1.116  1.00  0.00           C  
HETATM    6  C   UNK A   0      -6.294   3.420  -1.459  1.00  0.00           C  
HETATM    7  C   UNK A   0      -1.943  -0.906  -0.092  1.00  0.00           C  
HETATM    8  C   UNK A   0       0.335  -1.409  -0.796  1.00  0.00           C  
HETATM    9  C   UNK A   0       1.150  -1.424  -2.091  1.00  0.00           C  
HETATM   10  C   UNK A   0       2.311  -2.410  -1.952  1.00  0.00           C  
HETATM   11  C   UNK A   0       3.138  -2.054  -0.714  1.00  0.00           C  
HETATM   12  C   UNK A   0       4.353  -2.995  -0.588  1.00  0.00           C  
HETATM   13  C   UNK A   0       4.535  -3.279   0.914  1.00  0.00           C  
HETATM   14  C   UNK A   0       3.424  -2.500   1.647  1.00  0.00           C  
HETATM   15  C   UNK A   0       2.321  -2.313   0.576  1.00  0.00           C  
HETATM   16  C   UNK A   0       3.587  -0.617  -0.777  1.00  0.00           C  
ATOM     17  CA  TYR A   1       4.090   1.506   0.307  1.00  0.00           C  
ATOM     18  CB  TYR A   1       3.707   2.147   1.642  1.00  0.00           C  
ATOM     19  CG  TYR A   1       2.218   2.030   1.846  1.00  0.00           C  
ATOM     20  CD1 TYR A   1       1.378   3.027   1.384  1.00  0.00           C  
ATOM     21  CE1 TYR A   1       0.014   2.922   1.569  1.00  0.00           C  
ATOM     22  CZ  TYR A   1      -0.514   1.816   2.220  1.00  0.00           C  
ATOM     23  CE2 TYR A   1       0.331   0.818   2.683  1.00  0.00           C  
ATOM     24  CD2 TYR A   1       1.694   0.925   2.490  1.00  0.00           C  
ATOM     25  C   TYR A   1       5.558   1.730   0.045  1.00  0.00           C  
HETATM   26  C   UNK A   0       1.693  -0.044  -2.359  1.00  0.00           C  
HETATM   27  N   UNK A   0      -4.238  -0.907   0.695  1.00  0.00           N  
HETATM   28  N   UNK A   0      -6.322   4.868  -1.700  1.00  0.00           N  
HETATM   29  N   UNK A   0      -1.038  -0.992  -1.088  1.00  0.00           N  
ATOM     30  N   TYR A   1       3.818   0.067   0.360  1.00  0.00           N  
HETATM   31  O   UNK A   0      -5.728  -2.241  -0.692  1.00  0.00           O  
HETATM   32  O   UNK A   0      -5.824  -2.404   1.775  1.00  0.00           O  
HETATM   33  O   UNK A   0      -1.619  -1.174   1.046  1.00  0.00           O  
HETATM   34  O   UNK A   0       3.741  -0.077  -1.852  1.00  0.00           O  
ATOM     35  OH  TYR A   1      -1.857   1.711   2.404  1.00  0.00           O  
ATOM     36  OXT TYR A   1       6.040   2.979  -0.044  1.00  0.00           O  
ATOM     37  O   TYR A   1       6.299   0.785  -0.083  1.00  0.00           O  
HETATM   38  O   UNK A   0       2.365   0.205  -3.493  1.00  0.00           O  
HETATM   39  O   UNK A   0       1.523   0.839  -1.551  1.00  0.00           O  
HETATM   40  S   UNK A   0      -5.077  -2.329   0.568  1.00  0.00           S  
HETATM   41  H   UNK A   0      -4.262  -4.591   0.451  1.00  0.00           H  
HETATM   42  H   UNK A   0      -3.139  -3.446  -0.322  1.00  0.00           H  
HETATM   43  H   UNK A   0      -3.209  -3.563   1.453  1.00  0.00           H  
HETATM   44  H   UNK A   0      -3.683  -0.933  -1.327  1.00  0.00           H  
HETATM   45  H   UNK A   0      -3.109   1.502   0.421  1.00  0.00           H  
HETATM   46  H   UNK A   0      -2.733   1.368  -1.314  1.00  0.00           H  
HETATM   47  H   UNK A   0      -5.171   0.954  -1.760  1.00  0.00           H  
HETATM   48  H   UNK A   0      -5.499   1.236  -0.034  1.00  0.00           H  
HETATM   49  H   UNK A   0      -4.533   3.511  -0.221  1.00  0.00           H  
HETATM   50  H   UNK A   0      -4.204   3.230  -1.947  1.00  0.00           H  
HETATM   51  H   UNK A   0      -6.627   2.895  -2.354  1.00  0.00           H  
HETATM   52  H   UNK A   0      -6.956   3.177  -0.628  1.00  0.00           H  
HETATM   53  H   UNK A   0       0.327  -2.408  -0.361  1.00  0.00           H  
HETATM   54  H   UNK A   0       0.785  -0.710  -0.091  1.00  0.00           H  
HETATM   55  H   UNK A   0       0.511  -1.730  -2.919  1.00  0.00           H  
HETATM   56  H   UNK A   0       1.918  -3.422  -1.848  1.00  0.00           H  
HETATM   57  H   UNK A   0       2.943  -2.355  -2.839  1.00  0.00           H  
HETATM   58  H   UNK A   0       4.163  -3.926  -1.123  1.00  0.00           H  
HETATM   59  H   UNK A   0       5.244  -2.510  -0.987  1.00  0.00           H  
HETATM   60  H   UNK A   0       4.433  -4.347   1.107  1.00  0.00           H  
HETATM   61  H   UNK A   0       5.514  -2.931   1.243  1.00  0.00           H  
HETATM   62  H   UNK A   0       3.044  -3.080   2.489  1.00  0.00           H  
HETATM   63  H   UNK A   0       3.796  -1.534   1.987  1.00  0.00           H  
HETATM   64  H   UNK A   0       1.692  -1.455   0.814  1.00  0.00           H  
HETATM   65  H   UNK A   0       1.720  -3.218   0.478  1.00  0.00           H  
ATOM     66  HA  TYR A   1       3.505   1.957  -0.494  1.00  0.00           H  
ATOM     67  HB1 TYR A   1       4.226   1.636   2.453  1.00  0.00           H  
ATOM     68  HB2 TYR A   1       3.991   3.199   1.635  1.00  0.00           H  
ATOM     69  HD1 TYR A   1       1.790   3.888   0.878  1.00  0.00           H  
ATOM     70  HE1 TYR A   1      -0.642   3.701   1.208  1.00  0.00           H  
ATOM     71  HE2 TYR A   1      -0.078  -0.044   3.190  1.00  0.00           H  
ATOM     72  HD2 TYR A   1       2.352   0.146   2.847  1.00  0.00           H  
HETATM   73  H   UNK A   0      -4.331  -0.358   1.490  1.00  0.00           H  
HETATM   74  H   UNK A   0      -5.667   5.127  -2.423  1.00  0.00           H  
HETATM   75  H   UNK A   0      -7.254   5.179  -1.928  1.00  0.00           H  
HETATM   76  H   UNK A   0      -1.297  -0.778  -1.998  1.00  0.00           H  
ATOM     77  H   TYR A   1       3.803  -0.393   1.214  1.00  0.00           H  
ATOM     78  HH  TYR A   1      -2.318   1.261   1.684  1.00  0.00           H  
ATOM     79  HXT TYR A   1       6.988   3.072  -0.213  1.00  0.00           H  
HETATM   80  H   UNK A   0       2.694   1.105  -3.621  1.00  0.00           H  
CONECT    1   40   41   42   43                                       
CONECT    2   27    7    3   44                                       
CONECT    3    2    4   45   46                                       
CONECT    4    5    3   47   48                                       
CONECT    5    6    4   49   50                                       
CONECT    6   28    5   51   52                                       
CONECT    7   33   33    2   29                                       
CONECT    8   29    9   53   54                                       
CONECT    9    8   26   10   55                                       
CONECT   10    9   11   56   57                                       
CONECT   11   10   12   15   16                                       
CONECT   12   11   13   58   59                                       
CONECT   13   12   14   60   61                                       
CONECT   14   15   13   62   63                                       
CONECT   15   11   14   64   65                                       
CONECT   16   11   34   34   30                                       
CONECT   17   30   25   18   66                                       
CONECT   18   17   19   67   68                                       
CONECT   19   18   20   20   24                                       
CONECT   20   19   19   21   69                                       
CONECT   21   20   22   22   70                                       
CONECT   22   21   21   23   35                                       
CONECT   23   24   24   22   71                                       
CONECT   24   19   23   23   72                                       
CONECT   25   17   37   37   36                                       
CONECT   26   39   39    9   38                                       
CONECT   27   40    2   73                                            
CONECT   28    6   74   75                                            
CONECT   29    7    8   76                                            
CONECT   30   16   17   77                                            
CONECT   31   40   40                                                 
CONECT   32   40   40                                                 
CONECT   33    7    7                                                 
CONECT   34   16   16                                                 
CONECT   35   22   78                                                 
CONECT   36   25   79                                                 
CONECT   37   25   25                                                 
CONECT   38   26   80                                                 
CONECT   39   26   26                                                 
CONECT   40   32   32    1   31                                       
CONECT   40   31   27                                                 
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   38                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
