COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0      -1.627  -2.295  -4.675  1.00  0.00           C  
HETATM    2  O   UNK A   0      -1.961  -3.430  -4.353  1.00  0.00           O  
HETATM    3  O   UNK A   0      -0.413  -1.965  -5.207  1.00  0.00           O  
HETATM    4  C   UNK A   0       0.505  -3.049  -5.386  1.00  0.00           C  
HETATM    5  C   UNK A   0       1.779  -2.521  -5.975  1.00  0.00           C  
HETATM    6  C   UNK A   0       2.800  -2.092  -5.135  1.00  0.00           C  
HETATM    7  C   UNK A   0       3.985  -1.600  -5.683  1.00  0.00           C  
HETATM    8  C   UNK A   0       4.141  -1.541  -7.068  1.00  0.00           C  
HETATM    9  C   UNK A   0       3.112  -1.974  -7.905  1.00  0.00           C  
HETATM   10  C   UNK A   0       1.927  -2.465  -7.356  1.00  0.00           C  
HETATM   11  O   UNK A   0      -3.496   1.303  -2.782  1.00  0.00           O  
HETATM   12  P   UNK A   0      -3.684  -0.167  -2.542  1.00  0.00           P  
HETATM   13  O   UNK A   0      -5.054  -0.533  -1.762  1.00  0.00           O  
HETATM   14  C   UNK A   0      -3.765  -1.164  -4.032  1.00  0.00           C  
HETATM   15  N   UNK A   0      -2.408  -1.163  -4.563  1.00  0.00           N  
HETATM   16  C   UNK A   0      -4.759  -0.618  -5.063  1.00  0.00           C  
HETATM   17  C   UNK A   0      -4.808  -1.427  -6.336  1.00  0.00           C  
HETATM   18  C   UNK A   0      -5.700  -2.483  -6.437  1.00  0.00           C  
HETATM   19  C   UNK A   0      -5.744  -3.231  -7.614  1.00  0.00           C  
HETATM   20  C   UNK A   0      -4.897  -2.913  -8.675  1.00  0.00           C  
HETATM   21  C   UNK A   0      -4.004  -1.847  -8.559  1.00  0.00           C  
HETATM   22  C   UNK A   0      -3.959  -1.099  -7.382  1.00  0.00           C  
HETATM   23  C   UNK A   0      -0.940   0.559  -0.112  1.00  0.00           C  
HETATM   24  O   UNK A   0       0.061  -0.025   0.287  1.00  0.00           O  
HETATM   25  C   UNK A   0      -2.253  -0.161  -0.143  1.00  0.00           C  
HETATM   26  C   UNK A   0      -2.311  -1.227   0.953  1.00  0.00           C  
HETATM   27  C   UNK A   0      -2.046  -2.541   0.234  1.00  0.00           C  
HETATM   28  C   UNK A   0      -2.741  -2.347  -1.100  1.00  0.00           C  
HETATM   29  C   UNK A   0      -2.418  -0.903  -1.478  1.00  0.00           C  
ATOM     30  N   TRP A   1      -1.004   1.866  -0.556  1.00  0.00           N  
ATOM     31  CA  TRP A   1       0.145   2.741  -0.607  1.00  0.00           C  
ATOM     32  C   TRP A   1       0.368   3.433   0.729  1.00  0.00           C  
ATOM     33  OXT TRP A   1       1.330   4.161   0.951  1.00  0.00           O  
ATOM     34  CB  TRP A   1      -0.005   3.786  -1.721  1.00  0.00           C  
ATOM     35  CG  TRP A   1       0.289   3.230  -3.093  1.00  0.00           C  
ATOM     36  CD1 TRP A   1      -0.636   2.668  -3.911  1.00  0.00           C  
ATOM     37  CD2 TRP A   1       1.548   3.217  -3.714  1.00  0.00           C  
ATOM     38  NE1 TRP A   1       0.021   2.293  -5.053  1.00  0.00           N  
ATOM     39  CE2 TRP A   1       1.356   2.617  -4.960  1.00  0.00           C  
ATOM     40  CE3 TRP A   1       2.842   3.649  -3.361  1.00  0.00           C  
ATOM     41  CZ2 TRP A   1       2.398   2.426  -5.875  1.00  0.00           C  
ATOM     42  CZ3 TRP A   1       3.894   3.465  -4.266  1.00  0.00           C  
ATOM     43  CH2 TRP A   1       3.673   2.862  -5.503  1.00  0.00           C  
ATOM     44  O   TRP A   1      -0.585   3.193   1.661  1.00  0.00           O  
HETATM   45  H   UNK A   0       0.050  -3.798  -6.043  1.00  0.00           H  
HETATM   46  H   UNK A   0       0.693  -3.523  -4.416  1.00  0.00           H  
HETATM   47  H   UNK A   0       2.688  -2.134  -4.055  1.00  0.00           H  
HETATM   48  H   UNK A   0       4.786  -1.263  -5.031  1.00  0.00           H  
HETATM   49  H   UNK A   0       5.064  -1.159  -7.495  1.00  0.00           H  
HETATM   50  H   UNK A   0       3.234  -1.928  -8.983  1.00  0.00           H  
HETATM   51  H   UNK A   0       1.131  -2.800  -8.016  1.00  0.00           H  
HETATM   52  H   UNK A   0      -5.711  -1.113  -2.203  1.00  0.00           H  
HETATM   53  H   UNK A   0      -4.033  -2.189  -3.750  1.00  0.00           H  
HETATM   54  H   UNK A   0      -2.015  -0.278  -4.870  1.00  0.00           H  
HETATM   55  H   UNK A   0      -5.767  -0.598  -4.630  1.00  0.00           H  
HETATM   56  H   UNK A   0      -4.523   0.428  -5.294  1.00  0.00           H  
HETATM   57  H   UNK A   0      -6.364  -2.739  -5.616  1.00  0.00           H  
HETATM   58  H   UNK A   0      -6.439  -4.061  -7.704  1.00  0.00           H  
HETATM   59  H   UNK A   0      -4.931  -3.495  -9.591  1.00  0.00           H  
HETATM   60  H   UNK A   0      -3.344  -1.599  -9.385  1.00  0.00           H  
HETATM   61  H   UNK A   0      -3.261  -0.271  -7.301  1.00  0.00           H  
HETATM   62  H   UNK A   0      -3.032   0.593   0.010  1.00  0.00           H  
HETATM   63  H   UNK A   0      -3.318  -1.248   1.388  1.00  0.00           H  
HETATM   64  H   UNK A   0      -1.598  -1.061   1.767  1.00  0.00           H  
HETATM   65  H   UNK A   0      -1.482  -0.884  -2.051  1.00  0.00           H  
HETATM   66  H   UNK A   0      -0.969  -2.684   0.087  1.00  0.00           H  
HETATM   67  H   UNK A   0      -2.435  -3.402   0.786  1.00  0.00           H  
HETATM   68  H   UNK A   0      -2.394  -3.057  -1.857  1.00  0.00           H  
HETATM   69  H   UNK A   0      -3.824  -2.481  -0.991  1.00  0.00           H  
ATOM     70  H   TRP A   1      -1.902   2.229  -0.860  1.00  0.00           H  
ATOM     71  HA  TRP A   1       1.013   2.095  -0.780  1.00  0.00           H  
ATOM     72  HB1 TRP A   1      -1.025   4.192  -1.729  1.00  0.00           H  
ATOM     73  HB2 TRP A   1       0.647   4.647  -1.521  1.00  0.00           H  
ATOM     74  HD1 TRP A   1      -1.697   2.491  -3.807  1.00  0.00           H  
ATOM     75  HE1 TRP A   1      -0.410   1.844  -5.849  1.00  0.00           H  
ATOM     76  HE3 TRP A   1       3.030   4.121  -2.401  1.00  0.00           H  
ATOM     77  HZ2 TRP A   1       2.227   1.957  -6.838  1.00  0.00           H  
ATOM     78  HZ3 TRP A   1       4.893   3.797  -4.000  1.00  0.00           H  
ATOM     79  HH2 TRP A   1       4.503   2.729  -6.191  1.00  0.00           H  
ATOM     80  H   TRP A   1      -0.445   3.643   2.520  1.00  0.00           H  
CONECT    1   15    2    2    3                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   45   46                                       
CONECT    5    4    6   10   10                                       
CONECT    6    5    7    7   47                                       
CONECT    7    6    6    8   48                                       
CONECT    8    9    9    7   49                                       
CONECT    9   10    8    8   50                                       
CONECT   10    5    5    9   51                                       
CONECT   11   12   12                                                 
CONECT   12   29   11   11   13                                       
CONECT   12   14                                                      
CONECT   13   12   52                                                 
CONECT   14   12   16   15   53                                       
CONECT   15   14    1   54                                            
CONECT   16   14   17   55   56                                       
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   57                                       
CONECT   19   20   20   18   58                                       
CONECT   20   21   19   19   59                                       
CONECT   21   22   22   20   60                                       
CONECT   22   17   21   21   61                                       
CONECT   23   30   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   29   62                                       
CONECT   26   25   27   63   64                                       
CONECT   27   26   28   66   67                                       
CONECT   28   27   29   68   69                                       
CONECT   29   25   28   12   65                                       
CONECT   30   31   23   70                                            
CONECT   31   32   34   30   71                                       
CONECT   32   44   33   33   31                                       
CONECT   33   32   32                                                 
CONECT   34   31   35   72   73                                       
CONECT   35   34   36   36   37                                       
CONECT   36   35   35   38   74                                       
CONECT   37   35   39   40   40                                       
CONECT   38   39   36   75                                            
CONECT   39   37   41   41   38                                       
CONECT   40   37   37   42   76                                       
CONECT   41   43   39   39   77                                       
CONECT   42   40   43   43   78                                       
CONECT   43   42   42   41   79                                       
CONECT   44   32   80                                                 
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   29                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   36                                                      
CONECT   75   38                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
CONECT   79   43                                                      
CONECT   80   44                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
