COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0      -2.802  -0.333   0.576  1.00  0.00           C  
HETATM    2  O   UNK A   0      -2.887   0.915  -0.114  1.00  0.00           O  
HETATM    3  C   UNK A   0      -3.754  -0.319   1.775  1.00  0.00           C  
HETATM    4  O   UNK A   0      -3.631  -1.546   2.497  1.00  0.00           O  
HETATM    5  C   UNK A   0      -5.193  -0.163   1.272  1.00  0.00           C  
HETATM    6  O   UNK A   0      -6.095  -0.223   2.378  1.00  0.00           O  
HETATM    7  C   UNK A   0      -5.506  -1.300   0.294  1.00  0.00           C  
HETATM    8  O   UNK A   0      -6.821  -1.124  -0.238  1.00  0.00           O  
HETATM    9  C   UNK A   0      -4.485  -1.276  -0.848  1.00  0.00           C  
HETATM   10  O   UNK A   0      -3.167  -1.393  -0.309  1.00  0.00           O  
HETATM   11  C   UNK A   0      -4.755  -2.444  -1.798  1.00  0.00           C  
HETATM   12  P   UNK A   0      -1.626   1.604  -0.840  1.00  0.00           P  
HETATM   13  O   UNK A   0      -0.976   0.623  -1.737  1.00  0.00           O  
HETATM   14  O   UNK A   0      -2.127   2.869  -1.701  1.00  0.00           O  
HETATM   15  N   UNK A   0      -0.522   2.119   0.322  1.00  0.00           N  
HETATM   16  C   UNK A   0       0.851   1.766  -0.062  1.00  0.00           C  
HETATM   17  C   UNK A   0       1.484   0.946   1.032  1.00  0.00           C  
HETATM   18  O   UNK A   0       0.854   0.683   2.034  1.00  0.00           O  
HETATM   19  C   UNK A   0       1.664   3.043  -0.279  1.00  0.00           C  
HETATM   20  C   UNK A   0       1.121   3.793  -1.497  1.00  0.00           C  
HETATM   21  C   UNK A   0       1.977   5.035  -1.755  1.00  0.00           C  
HETATM   22  C   UNK A   0       1.168   2.878  -2.722  1.00  0.00           C  
ATOM     23  N   TRP A   1       2.751   0.507   0.897  1.00  0.00           N  
ATOM     24  CA  TRP A   1       3.367  -0.290   1.962  1.00  0.00           C  
ATOM     25  C   TRP A   1       3.950   0.630   3.004  1.00  0.00           C  
ATOM     26  O   TRP A   1       3.860   1.827   2.871  1.00  0.00           O  
ATOM     27  CB  TRP A   1       4.478  -1.159   1.370  1.00  0.00           C  
ATOM     28  CG  TRP A   1       3.879  -2.161   0.418  1.00  0.00           C  
ATOM     29  CD1 TRP A   1       3.530  -3.426   0.705  1.00  0.00           C  
ATOM     30  CD2 TRP A   1       3.559  -1.939  -0.995  1.00  0.00           C  
ATOM     31  NE1 TRP A   1       3.019  -4.033  -0.410  1.00  0.00           N  
ATOM     32  CE2 TRP A   1       3.023  -3.151  -1.467  1.00  0.00           C  
ATOM     33  CE3 TRP A   1       3.684  -0.849  -1.858  1.00  0.00           C  
ATOM     34  CZ2 TRP A   1       2.621  -3.246  -2.796  1.00  0.00           C  
ATOM     35  CZ3 TRP A   1       3.283  -0.965  -3.159  1.00  0.00           C  
ATOM     36  CH2 TRP A   1       2.752  -2.158  -3.630  1.00  0.00           C  
ATOM     37  OXT TRP A   1       4.569   0.118   4.079  1.00  0.00           O  
HETATM   38  H   UNK A   0      -1.781  -0.486   0.925  1.00  0.00           H  
HETATM   39  H   UNK A   0      -3.504   0.516   2.430  1.00  0.00           H  
HETATM   40  H   UNK A   0      -2.743  -1.712   2.841  1.00  0.00           H  
HETATM   41  H   UNK A   0      -5.300   0.796   0.765  1.00  0.00           H  
HETATM   42  H   UNK A   0      -5.950   0.465   3.042  1.00  0.00           H  
HETATM   43  H   UNK A   0      -5.448  -2.255   0.815  1.00  0.00           H  
HETATM   44  H   UNK A   0      -7.086  -1.810  -0.866  1.00  0.00           H  
HETATM   45  H   UNK A   0      -4.573  -0.336  -1.393  1.00  0.00           H  
HETATM   46  H   UNK A   0      -5.760  -2.355  -2.208  1.00  0.00           H  
HETATM   47  H   UNK A   0      -4.028  -2.427  -2.610  1.00  0.00           H  
HETATM   48  H   UNK A   0      -4.667  -3.384  -1.252  1.00  0.00           H  
HETATM   49  H   UNK A   0      -2.563   3.554  -1.177  1.00  0.00           H  
HETATM   50  H   UNK A   0      -0.752   1.742   1.230  1.00  0.00           H  
HETATM   51  H   UNK A   0       0.832   1.186  -0.985  1.00  0.00           H  
HETATM   52  H   UNK A   0       1.585   3.678   0.603  1.00  0.00           H  
HETATM   53  H   UNK A   0       2.709   2.784  -0.448  1.00  0.00           H  
HETATM   54  H   UNK A   0       0.091   4.095  -1.308  1.00  0.00           H  
HETATM   55  H   UNK A   0       2.987   4.729  -2.029  1.00  0.00           H  
HETATM   56  H   UNK A   0       1.540   5.615  -2.568  1.00  0.00           H  
HETATM   57  H   UNK A   0       2.014   5.645  -0.853  1.00  0.00           H  
HETATM   58  H   UNK A   0       0.480   2.044  -2.579  1.00  0.00           H  
HETATM   59  H   UNK A   0       0.876   3.442  -3.608  1.00  0.00           H  
HETATM   60  H   UNK A   0       2.180   2.496  -2.852  1.00  0.00           H  
ATOM     61  H   TRP A   1       3.255   0.718   0.096  1.00  0.00           H  
ATOM     62  HA  TRP A   1       2.612  -0.928   2.421  1.00  0.00           H  
ATOM     63  HB1 TRP A   1       5.187  -0.528   0.834  1.00  0.00           H  
ATOM     64  HB2 TRP A   1       4.995  -1.685   2.173  1.00  0.00           H  
ATOM     65  HD1 TRP A   1       3.638  -3.894   1.672  1.00  0.00           H  
ATOM     66  HE1 TRP A   1       2.700  -4.948  -0.449  1.00  0.00           H  
ATOM     67  HE3 TRP A   1       4.095   0.083  -1.498  1.00  0.00           H  
ATOM     68  HZ2 TRP A   1       2.208  -4.170  -3.172  1.00  0.00           H  
ATOM     69  HZ3 TRP A   1       3.379  -0.121  -3.826  1.00  0.00           H  
ATOM     70  HH2 TRP A   1       2.440  -2.234  -4.661  1.00  0.00           H  
ATOM     71  HXT TRP A   1       4.927   0.747   4.721  1.00  0.00           H  
CONECT    1    2    3   10   38                                       
CONECT    2    1   12                                                 
CONECT    3    1    4    5   39                                       
CONECT    4    3   40                                                 
CONECT    5    3    6    7   41                                       
CONECT    6    5   42                                                 
CONECT    7    5    8    9   43                                       
CONECT    8    7   44                                                 
CONECT    9    7   10   11   45                                       
CONECT   10    1    9                                                 
CONECT   11    9   46   47   48                                       
CONECT   12    2   13   13   14                                       
CONECT   12   15                                                      
CONECT   13   12   12                                                 
CONECT   14   12   49                                                 
CONECT   15   16   50   12                                            
CONECT   16   15   17   19   51                                       
CONECT   17   16   18   18   23                                       
CONECT   18   17   17                                                 
CONECT   19   16   20   52   53                                       
CONECT   20   19   21   22   54                                       
CONECT   21   20   55   56   57                                       
CONECT   22   20   58   59   60                                       
CONECT   23   24   61   17                                            
CONECT   24   23   25   27   62                                       
CONECT   25   24   26   26   37                                       
CONECT   26   25   25                                                 
CONECT   27   24   28   63   64                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28   31   65                                       
CONECT   30   28   32   32   33                                       
CONECT   31   29   32   66                                            
CONECT   32   30   30   31   34                                       
CONECT   33   30   35   35   67                                       
CONECT   34   32   36   36   68                                       
CONECT   35   33   33   36   69                                       
CONECT   36   34   34   35   70                                       
CONECT   37   25   71                                                 
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   29                                                      
CONECT   66   31                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
