COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNK A   0       4.949  -0.032  -1.655  1.00  0.00           O  
HETATM    2  C   UNK A   0       9.860   3.934   1.021  1.00  0.00           C  
HETATM    3  C   UNK A   0       8.688   4.506   0.563  1.00  0.00           C  
HETATM    4  C   UNK A   0      10.090   2.584   0.832  1.00  0.00           C  
HETATM    5  C   UNK A   0       7.743   3.727  -0.078  1.00  0.00           C  
HETATM    6  C   UNK A   0       9.148   1.806   0.185  1.00  0.00           C  
HETATM    7  C   UNK A   0       6.944   1.528  -0.967  1.00  0.00           C  
HETATM    8  O   UNK A   0       6.022   0.973   0.007  1.00  0.00           O  
HETATM    9  C   UNK A   0       5.036   0.185  -0.463  1.00  0.00           C  
HETATM   10  C   UNK A   0       7.970   2.376  -0.262  1.00  0.00           C  
HETATM   11  O   UNK A   0       1.126  -0.008   1.311  1.00  0.00           O  
HETATM   12  P   UNK A   0       1.497  -0.303  -0.091  1.00  0.00           P  
HETATM   13  O   UNK A   0       1.661   1.076  -0.905  1.00  0.00           O  
HETATM   14  C   UNK A   0       3.074  -1.219  -0.123  1.00  0.00           C  
HETATM   15  N   UNK A   0       4.146  -0.362   0.389  1.00  0.00           N  
HETATM   16  C   UNK A   0       2.956  -2.467   0.754  1.00  0.00           C  
HETATM   17  C   UNK A   0       4.214  -3.288   0.630  1.00  0.00           C  
HETATM   18  C   UNK A   0       5.303  -3.009   1.435  1.00  0.00           C  
HETATM   19  C   UNK A   0       6.457  -3.762   1.321  1.00  0.00           C  
HETATM   20  C   UNK A   0       6.521  -4.794   0.403  1.00  0.00           C  
HETATM   21  C   UNK A   0       5.432  -5.073  -0.401  1.00  0.00           C  
HETATM   22  C   UNK A   0       4.277  -4.323  -0.284  1.00  0.00           C  
HETATM   23  O   UNK A   0      -2.009  -2.725  -1.314  1.00  0.00           O  
HETATM   24  C   UNK A   0      -6.140   5.844   1.218  1.00  0.00           C  
HETATM   25  C   UNK A   0      -6.803   5.042   0.307  1.00  0.00           C  
HETATM   26  C   UNK A   0      -4.798   5.635   1.482  1.00  0.00           C  
HETATM   27  C   UNK A   0      -6.128   4.028  -0.343  1.00  0.00           C  
HETATM   28  C   UNK A   0      -4.115   4.621   0.842  1.00  0.00           C  
HETATM   29  C   UNK A   0      -2.675   2.379  -0.620  1.00  0.00           C  
HETATM   30  C   UNK A   0      -1.230   0.566  -1.695  1.00  0.00           C  
HETATM   31  C   UNK A   0       0.192  -1.314  -0.865  1.00  0.00           C  
HETATM   32  N   UNK A   0      -4.534   1.888  -1.659  1.00  0.00           N  
HETATM   33  O   UNK A   0      -3.689   1.117  -2.050  1.00  0.00           O  
HETATM   34  C   UNK A   0      -2.269  -1.580  -1.012  1.00  0.00           C  
HETATM   35  C   UNK A   0      -2.504   1.335  -1.463  1.00  0.00           C  
HETATM   36  C   UNK A   0      -4.777   3.814  -0.081  1.00  0.00           C  
HETATM   37  C   UNK A   0      -4.047   2.725  -0.777  1.00  0.00           C  
HETATM   38  C   UNK A   0      -1.156  -0.607  -0.715  1.00  0.00           C  
ATOM     39  N   TYR A   1      -3.553  -1.176  -0.942  1.00  0.00           N  
ATOM     40  CA  TYR A   1      -4.634  -2.122  -1.230  1.00  0.00           C  
ATOM     41  C   TYR A   1      -4.880  -2.165  -2.716  1.00  0.00           C  
ATOM     42  O   TYR A   1      -4.220  -1.477  -3.458  1.00  0.00           O  
ATOM     43  CB  TYR A   1      -5.910  -1.671  -0.515  1.00  0.00           C  
ATOM     44  CG  TYR A   1      -5.703  -1.745   0.976  1.00  0.00           C  
ATOM     45  CD1 TYR A   1      -6.002  -2.910   1.657  1.00  0.00           C  
ATOM     46  CD2 TYR A   1      -5.208  -0.649   1.659  1.00  0.00           C  
ATOM     47  CE1 TYR A   1      -5.812  -2.981   3.024  1.00  0.00           C  
ATOM     48  CE2 TYR A   1      -5.017  -0.715   3.026  1.00  0.00           C  
ATOM     49  CZ  TYR A   1      -5.321  -1.881   3.713  1.00  0.00           C  
ATOM     50  OH  TYR A   1      -5.134  -1.948   5.057  1.00  0.00           O  
ATOM     51  OXT TYR A   1      -5.833  -2.968  -3.215  1.00  0.00           O  
HETATM   52  H   UNK A   0      10.598   4.543   1.523  1.00  0.00           H  
HETATM   53  H   UNK A   0       8.510   5.562   0.707  1.00  0.00           H  
HETATM   54  H   UNK A   0      11.006   2.137   1.190  1.00  0.00           H  
HETATM   55  H   UNK A   0       6.827   4.174  -0.436  1.00  0.00           H  
HETATM   56  H   UNK A   0       9.328   0.752   0.037  1.00  0.00           H  
HETATM   57  H   UNK A   0       7.444   0.717  -1.497  1.00  0.00           H  
HETATM   58  H   UNK A   0       6.393   2.142  -1.680  1.00  0.00           H  
HETATM   59  H   UNK A   0       1.905   0.959  -1.834  1.00  0.00           H  
HETATM   60  H   UNK A   0       3.302  -1.514  -1.147  1.00  0.00           H  
HETATM   61  H   UNK A   0       4.216  -0.188   1.341  1.00  0.00           H  
HETATM   62  H   UNK A   0       2.817  -2.169   1.793  1.00  0.00           H  
HETATM   63  H   UNK A   0       2.102  -3.060   0.428  1.00  0.00           H  
HETATM   64  H   UNK A   0       5.253  -2.203   2.151  1.00  0.00           H  
HETATM   65  H   UNK A   0       7.308  -3.544   1.949  1.00  0.00           H  
HETATM   66  H   UNK A   0       7.423  -5.382   0.315  1.00  0.00           H  
HETATM   67  H   UNK A   0       5.483  -5.879  -1.118  1.00  0.00           H  
HETATM   68  H   UNK A   0       3.424  -4.543  -0.909  1.00  0.00           H  
HETATM   69  H   UNK A   0      -6.670   6.639   1.721  1.00  0.00           H  
HETATM   70  H   UNK A   0      -7.850   5.209   0.104  1.00  0.00           H  
HETATM   71  H   UNK A   0      -4.284   6.267   2.192  1.00  0.00           H  
HETATM   72  H   UNK A   0      -6.647   3.402  -1.054  1.00  0.00           H  
HETATM   73  H   UNK A   0      -3.068   4.459   1.049  1.00  0.00           H  
HETATM   74  H   UNK A   0      -1.942   2.841   0.025  1.00  0.00           H  
HETATM   75  H   UNK A   0      -1.215   0.187  -2.717  1.00  0.00           H  
HETATM   76  H   UNK A   0      -0.375   1.224  -1.538  1.00  0.00           H  
HETATM   77  H   UNK A   0       0.416  -1.448  -1.923  1.00  0.00           H  
HETATM   78  H   UNK A   0       0.149  -2.287  -0.377  1.00  0.00           H  
HETATM   79  H   UNK A   0      -1.260  -0.236   0.305  1.00  0.00           H  
ATOM     80  H   TYR A   1      -3.761  -0.260  -0.700  1.00  0.00           H  
ATOM     81  HA  TYR A   1      -4.352  -3.114  -0.879  1.00  0.00           H  
ATOM     82  HB1 TYR A   1      -6.142  -0.645  -0.799  1.00  0.00           H  
ATOM     83  HB2 TYR A   1      -6.735  -2.323  -0.800  1.00  0.00           H  
ATOM     84  HD1 TYR A   1      -6.384  -3.766   1.121  1.00  0.00           H  
ATOM     85  HD2 TYR A   1      -4.971   0.258   1.124  1.00  0.00           H  
ATOM     86  HE1 TYR A   1      -6.050  -3.890   3.556  1.00  0.00           H  
ATOM     87  HE2 TYR A   1      -4.631   0.141   3.559  1.00  0.00           H  
ATOM     88  HH  TYR A   1      -4.255  -2.254   5.317  1.00  0.00           H  
ATOM     89  HXT TYR A   1      -5.954  -2.962  -4.175  1.00  0.00           H  
CONECT    1    9    9                                                 
CONECT    2    4    4    3   52                                       
CONECT    3    2    5    5   53                                       
CONECT    4    2    2    6   54                                       
CONECT    5    3    3   10   55                                       
CONECT    6    4   10   10   56                                       
CONECT    7    8   10   57   58                                       
CONECT    8    7    9                                                 
CONECT    9    1    1   15    8                                       
CONECT   10    5    6    6    7                                       
CONECT   11   12   12                                                 
CONECT   12   11   11   13   31                                       
CONECT   12   14                                                      
CONECT   13   12   59                                                 
CONECT   14   16   15   12   60                                       
CONECT   15   14    9   61                                            
CONECT   16   14   17   62   63                                       
CONECT   17   18   22   22   16                                       
CONECT   18   19   19   17   64                                       
CONECT   19   20   18   18   65                                       
CONECT   20   21   21   19   66                                       
CONECT   21   20   20   22   67                                       
CONECT   22   21   17   17   68                                       
CONECT   23   34   34                                                 
CONECT   24   25   25   26   69                                       
CONECT   25   24   24   27   70                                       
CONECT   26   24   28   28   71                                       
CONECT   27   25   36   36   72                                       
CONECT   28   26   26   36   73                                       
CONECT   29   37   35   35   74                                       
CONECT   30   35   38   75   76                                       
CONECT   31   38   12   77   78                                       
CONECT   32   37   37   33                                            
CONECT   33   32   35                                                 
CONECT   34   39   23   23   38                                       
CONECT   35   29   29   30   33                                       
CONECT   36   27   27   28   37                                       
CONECT   37   29   32   32   36                                       
CONECT   38   30   31   34   79                                       
CONECT   39   40   34   80                                            
CONECT   40   41   39   43   81                                       
CONECT   41   42   42   40   51                                       
CONECT   42   41   41                                                 
CONECT   43   40   44   82   83                                       
CONECT   44   43   45   45   46                                       
CONECT   45   44   44   47   84                                       
CONECT   46   44   48   48   85                                       
CONECT   47   49   49   45   86                                       
CONECT   48   49   46   46   87                                       
CONECT   49   50   47   47   48                                       
CONECT   50   49   88                                                 
CONECT   51   41   89                                                 
CONECT   52    2                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
CONECT   82   43                                                      
CONECT   83   43                                                      
CONECT   84   45                                                      
CONECT   85   46                                                      
CONECT   86   47                                                      
CONECT   87   48                                                      
CONECT   88   50                                                      
CONECT   89   51                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
