COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  OH  TYR A   2       0.210   6.138   0.781  1.00  0.00           O  
ATOM      2  CZ  TYR A   2       0.291   4.782   0.838  1.00  0.00           C  
ATOM      3  CE1 TYR A   2      -0.811   4.005   0.513  1.00  0.00           C  
ATOM      4  CD1 TYR A   2      -0.725   2.628   0.572  1.00  0.00           C  
ATOM      5  CG  TYR A   2       0.458   2.023   0.955  1.00  0.00           C  
ATOM      6  CD2 TYR A   2       1.556   2.796   1.285  1.00  0.00           C  
ATOM      7  CE2 TYR A   2       1.477   4.173   1.222  1.00  0.00           C  
ATOM      8  CB  TYR A   2       0.548   0.520   1.019  1.00  0.00           C  
ATOM      9  CA  TYR A   2       0.849  -0.032  -0.376  1.00  0.00           C  
ATOM     10  C   TYR A   2       2.108   0.592  -0.884  1.00  0.00           C  
ATOM     11  O   TYR A   2       2.115   1.791  -1.064  1.00  0.00           O  
HETATM   12  N   UNK A   1       3.208  -0.091  -1.206  1.00  0.00           N  
HETATM   13  C   UNK A   1       3.346  -1.534  -1.011  1.00  0.00           C  
HETATM   14  C   UNK A   1       2.074  -2.159  -0.534  1.00  0.00           C  
HETATM   15  O   UNK A   1       2.049  -3.364  -0.399  1.00  0.00           O1-
ATOM     16  N   TYR A   2       0.964  -1.475  -0.250  1.00  0.00           N1+
HETATM   17  C   UNK A   0      -0.208  -2.223   0.212  1.00  0.00           C  
HETATM   18  C   UNK A   0      -1.459  -1.579  -0.328  1.00  0.00           C  
HETATM   19  O   UNK A   0      -1.404  -0.887  -1.322  1.00  0.00           O  
HETATM   20  N   UNK A   0      -2.639  -1.773   0.294  1.00  0.00           N  
HETATM   21  C   UNK A   0      -3.855  -1.148  -0.231  1.00  0.00           C  
HETATM   22  C   UNK A   0      -5.045  -1.525   0.653  1.00  0.00           C  
HETATM   23  C   UNK A   0      -6.296  -0.881   0.113  1.00  0.00           C  
HETATM   24  C   UNK A   0      -7.071  -1.551  -0.816  1.00  0.00           C  
HETATM   25  C   UNK A   0      -8.218  -0.963  -1.313  1.00  0.00           C  
HETATM   26  C   UNK A   0      -8.593   0.300  -0.878  1.00  0.00           C  
HETATM   27  O   UNK A   0      -9.721   0.880  -1.366  1.00  0.00           O  
HETATM   28  C   UNK A   0      -7.814   0.969   0.055  1.00  0.00           C  
HETATM   29  C   UNK A   0      -6.671   0.375   0.552  1.00  0.00           C  
HETATM   30  C   UNK A   0      -0.249  -2.214   1.741  1.00  0.00           C  
HETATM   31  C   UNK A   0       0.952  -2.987   2.289  1.00  0.00           C  
HETATM   32  C   UNK A   0       0.947  -2.923   3.817  1.00  0.00           C  
HETATM   33  C   UNK A   1       4.452  -1.750   0.024  1.00  0.00           C  
HETATM   34  C   UNK A   1       5.668  -0.929  -0.318  1.00  0.00           C  
HETATM   35  C   UNK A   1       6.879  -1.305   0.250  1.00  0.00           C  
HETATM   36  C   UNK A   1       8.029  -0.590  -0.013  1.00  0.00           C  
HETATM   37  C   UNK A   1       7.978   0.510  -0.849  1.00  0.00           C  
HETATM   38  C   UNK A   1       6.778   0.883  -1.417  1.00  0.00           C  
HETATM   39  C   UNK A   1       5.620   0.162  -1.156  1.00  0.00           C  
HETATM   40  C   UNK A   1       4.347   0.608  -1.828  1.00  0.00           C  
ATOM     41  HH  TYR A   2      -0.082   6.437   1.652  1.00  0.00           H  
ATOM     42  HE1 TYR A   2      -1.735   4.477   0.213  1.00  0.00           H  
ATOM     43  HD1 TYR A   2      -1.583   2.023   0.319  1.00  0.00           H  
ATOM     44  HD2 TYR A   2       2.479   2.321   1.585  1.00  0.00           H  
ATOM     45  HE2 TYR A   2       2.337   4.776   1.476  1.00  0.00           H  
ATOM     46  HB1 TYR A   2      -0.399   0.114   1.374  1.00  0.00           H  
ATOM     47  HB2 TYR A   2       1.346   0.233   1.703  1.00  0.00           H  
ATOM     48  HA  TYR A   2       0.029   0.230  -1.045  1.00  0.00           H  
HETATM   49  H   UNK A   1       3.641  -1.997  -1.953  1.00  0.00           H  
HETATM   50  H   UNK A   0      -0.146  -3.251  -0.143  1.00  0.00           H  
HETATM   51  H   UNK A   0      -2.683  -2.327   1.089  1.00  0.00           H  
HETATM   52  H   UNK A   0      -3.734  -0.064  -0.235  1.00  0.00           H  
HETATM   53  H   UNK A   0      -4.033  -1.497  -1.248  1.00  0.00           H  
HETATM   54  H   UNK A   0      -5.166  -2.608   0.657  1.00  0.00           H  
HETATM   55  H   UNK A   0      -4.867  -1.176   1.670  1.00  0.00           H  
HETATM   56  H   UNK A   0      -6.778  -2.534  -1.154  1.00  0.00           H  
HETATM   57  H   UNK A   0      -8.822  -1.486  -2.040  1.00  0.00           H  
HETATM   58  H   UNK A   0     -10.445   0.618  -0.781  1.00  0.00           H  
HETATM   59  H   UNK A   0      -8.104   1.953   0.394  1.00  0.00           H  
HETATM   60  H   UNK A   0      -6.065   0.896   1.279  1.00  0.00           H  
HETATM   61  H   UNK A   0      -1.171  -2.684   2.083  1.00  0.00           H  
HETATM   62  H   UNK A   0      -0.212  -1.185   2.100  1.00  0.00           H  
HETATM   63  H   UNK A   0       1.873  -2.544   1.909  1.00  0.00           H  
HETATM   64  H   UNK A   0       0.891  -4.028   1.969  1.00  0.00           H  
HETATM   65  H   UNK A   0       1.009  -1.883   4.137  1.00  0.00           H  
HETATM   66  H   UNK A   0       0.026  -3.366   4.197  1.00  0.00           H  
HETATM   67  H   UNK A   0       1.803  -3.474   4.207  1.00  0.00           H  
HETATM   68  H   UNK A   1       4.086  -1.457   1.007  1.00  0.00           H  
HETATM   69  H   UNK A   1       4.725  -2.805   0.043  1.00  0.00           H  
HETATM   70  H   UNK A   1       6.921  -2.163   0.904  1.00  0.00           H  
HETATM   71  H   UNK A   1       8.967  -0.889   0.432  1.00  0.00           H  
HETATM   72  H   UNK A   1       8.875   1.076  -1.056  1.00  0.00           H  
HETATM   73  H   UNK A   1       6.737   1.743  -2.069  1.00  0.00           H  
HETATM   74  H   UNK A   1       4.224   1.683  -1.695  1.00  0.00           H  
HETATM   75  H   UNK A   1       4.398   0.379  -2.893  1.00  0.00           H  
CONECT    1    2   41                                                 
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4   42                                       
CONECT    4    3    5    5   43                                       
CONECT    5    4    4    6    8                                       
CONECT    6    5    7    7   44                                       
CONECT    7    2    6    6   45                                       
CONECT    8    5    9   46   47                                       
CONECT    9    8   10   16   48                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   40                                            
CONECT   13   12   14   33   49                                       
CONECT   14   13   15   16   16                                       
CONECT   15   14                                                      
CONECT   16    9   14   14   17                                       
CONECT   17   16   18   30   50                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   51                                            
CONECT   21   20   22   52   53                                       
CONECT   22   21   23   54   55                                       
CONECT   23   22   24   24   29                                       
CONECT   24   23   23   25   56                                       
CONECT   25   24   26   26   57                                       
CONECT   26   25   25   27   28                                       
CONECT   27   26   58                                                 
CONECT   28   26   29   29   59                                       
CONECT   29   23   28   28   60                                       
CONECT   30   17   31   61   62                                       
CONECT   31   30   32   63   64                                       
CONECT   32   31   65   66   67                                       
CONECT   33   13   34   68   69                                       
CONECT   34   33   35   35   39                                       
CONECT   35   34   34   36   70                                       
CONECT   36   35   37   37   71                                       
CONECT   37   36   36   38   72                                       
CONECT   38   37   39   39   73                                       
CONECT   39   34   38   38   40                                       
CONECT   40   12   39   74   75                                       
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   13                                                      
CONECT   50   17                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   33                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   38                                                      
CONECT   74   40                                                      
CONECT   75   40                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
