COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  CD2 TRP A   1      -5.614   1.512   0.472  1.00  0.00           C  
ATOM      2  CE3 TRP A   1      -4.950   2.293  -0.476  1.00  0.00           C  
ATOM      3  CZ3 TRP A   1      -4.507   3.541  -0.137  1.00  0.00           C  
ATOM      4  CH2 TRP A   1      -4.712   4.038   1.143  1.00  0.00           C  
ATOM      5  CZ2 TRP A   1      -5.365   3.284   2.093  1.00  0.00           C  
ATOM      6  CE2 TRP A   1      -5.824   2.012   1.770  1.00  0.00           C  
ATOM      7  NE1 TRP A   1      -6.494   1.038   2.477  1.00  0.00           N  
ATOM      8  CD1 TRP A   1      -6.713  -0.050   1.676  1.00  0.00           C  
ATOM      9  CG  TRP A   1      -6.210   0.174   0.452  1.00  0.00           C  
ATOM     10  CB  TRP A   1      -6.250  -0.772  -0.721  1.00  0.00           C  
ATOM     11  CA  TRP A   1      -4.947  -1.573  -0.773  1.00  0.00           C  
ATOM     12  C   TRP A   1      -5.036  -2.604  -1.869  1.00  0.00           C  
ATOM     13  O   TRP A   1      -4.244  -2.584  -2.782  1.00  0.00           O  
ATOM     14  OXT TRP A   1      -5.993  -3.544  -1.831  1.00  0.00           O  
ATOM     15  N   TRP A   1      -3.828  -0.668  -1.044  1.00  0.00           N  
HETATM   16  C   UNK A   0      -2.582  -1.002  -0.653  1.00  0.00           C  
HETATM   17  O   UNK A   0      -2.387  -2.051  -0.078  1.00  0.00           O  
HETATM   18  C   UNK A   0      -1.430  -0.070  -0.931  1.00  0.00           C  
HETATM   19  C   UNK A   0      -0.137  -0.682  -0.389  1.00  0.00           C  
HETATM   20  C   UNK A   0       1.032   0.263  -0.671  1.00  0.00           C  
HETATM   21  O   UNK A   0       1.154   0.463  -2.081  1.00  0.00           O  
HETATM   22  O   UNK A   0       0.795   1.519  -0.031  1.00  0.00           O  
HETATM   23  C   UNK A   0       2.326  -0.349  -0.129  1.00  0.00           C  
HETATM   24  C   UNK A   0       2.243  -0.447   1.396  1.00  0.00           C  
HETATM   25  C   UNK A   0       3.463  -1.160   1.920  1.00  0.00           C  
HETATM   26  C   UNK A   0       4.593  -0.440   2.259  1.00  0.00           C  
HETATM   27  C   UNK A   0       5.712  -1.095   2.739  1.00  0.00           C  
HETATM   28  C   UNK A   0       5.700  -2.470   2.882  1.00  0.00           C  
HETATM   29  C   UNK A   0       4.569  -3.190   2.544  1.00  0.00           C  
HETATM   30  C   UNK A   0       3.449  -2.535   2.067  1.00  0.00           C  
HETATM   31  N   UNK A   0       3.461   0.498  -0.503  1.00  0.00           N  
HETATM   32  C   UNK A   0       4.695  -0.034  -0.600  1.00  0.00           C  
HETATM   33  O   UNK A   0       4.867  -1.217  -0.376  1.00  0.00           O  
HETATM   34  C   UNK A   0       5.841   0.821  -0.977  1.00  0.00           C  
HETATM   35  C   UNK A   0       7.121   0.273  -1.079  1.00  0.00           C  
HETATM   36  C   UNK A   0       8.186   1.075  -1.432  1.00  0.00           C  
HETATM   37  C   UNK A   0       7.988   2.421  -1.685  1.00  0.00           C  
HETATM   38  C   UNK A   0       6.721   2.970  -1.587  1.00  0.00           C  
HETATM   39  C   UNK A   0       5.647   2.178  -1.240  1.00  0.00           C  
ATOM     40  HE3 TRP A   1      -4.787   1.912  -1.473  1.00  0.00           H  
ATOM     41  HZ3 TRP A   1      -3.993   4.144  -0.870  1.00  0.00           H  
ATOM     42  HH2 TRP A   1      -4.356   5.026   1.395  1.00  0.00           H  
ATOM     43  HZ2 TRP A   1      -5.519   3.680   3.086  1.00  0.00           H  
ATOM     44  HE1 TRP A   1      -6.770   1.112   3.404  1.00  0.00           H  
ATOM     45  HD1 TRP A   1      -7.219  -0.954   1.983  1.00  0.00           H  
ATOM     46  HB1 TRP A   1      -7.092  -1.455  -0.608  1.00  0.00           H  
ATOM     47  HB2 TRP A   1      -6.364  -0.203  -1.643  1.00  0.00           H  
ATOM     48  HA  TRP A   1      -4.788  -2.072   0.183  1.00  0.00           H  
ATOM     49  H   TRP A   1      -3.983   0.172  -1.504  1.00  0.00           H  
HETATM   50  H   UNK A   0      -1.337   0.082  -2.006  1.00  0.00           H  
HETATM   51  H   UNK A   0      -1.611   0.888  -0.443  1.00  0.00           H  
HETATM   52  H   UNK A   0      -0.230  -0.834   0.687  1.00  0.00           H  
HETATM   53  H   UNK A   0       0.044  -1.640  -0.877  1.00  0.00           H  
HETATM   54  H   UNK A   0       2.461  -1.345  -0.550  1.00  0.00           H  
HETATM   55  H   UNK A   0       2.197   0.555   1.823  1.00  0.00           H  
HETATM   56  H   UNK A   0       1.348  -1.002   1.676  1.00  0.00           H  
HETATM   57  H   UNK A   0       4.602   0.634   2.147  1.00  0.00           H  
HETATM   58  H   UNK A   0       6.595  -0.532   3.003  1.00  0.00           H  
HETATM   59  H   UNK A   0       6.574  -2.981   3.257  1.00  0.00           H  
HETATM   60  H   UNK A   0       4.560  -4.264   2.655  1.00  0.00           H  
HETATM   61  H   UNK A   0       2.564  -3.097   1.807  1.00  0.00           H  
HETATM   62  H   UNK A   0       3.324   1.442  -0.681  1.00  0.00           H  
HETATM   63  H   UNK A   0       7.277  -0.778  -0.880  1.00  0.00           H  
HETATM   64  H   UNK A   0       9.177   0.652  -1.510  1.00  0.00           H  
HETATM   65  H   UNK A   0       8.825   3.045  -1.961  1.00  0.00           H  
HETATM   66  H   UNK A   0       6.573   4.022  -1.786  1.00  0.00           H  
HETATM   67  H   UNK A   0       4.659   2.607  -1.168  1.00  0.00           H  
HETATM   68  H   UNK A   0       0.701   1.459   0.929  1.00  0.00           H  
HETATM   69  H   UNK A   0       1.317  -0.349  -2.580  1.00  0.00           H  
ATOM     70  HXT TRP A   1      -6.010  -4.183  -2.556  1.00  0.00           H  
CONECT    1    2    2    6    9                                       
CONECT    2    1    1    3   40                                       
CONECT    3    2    4    4   41                                       
CONECT    4    3    3    5   42                                       
CONECT    5    4    6    6   43                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8   44                                            
CONECT    8    7    9    9   45                                       
CONECT    9    1    8    8   10                                       
CONECT   10    9   11   46   47                                       
CONECT   11   10   12   15   48                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   70                                                 
CONECT   15   11   16   49                                            
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   50   51                                       
CONECT   19   18   20   52   53                                       
CONECT   20   19   21   22   23                                       
CONECT   21   20   69                                                 
CONECT   22   20   68                                                 
CONECT   23   20   24   31   54                                       
CONECT   24   23   25   55   56                                       
CONECT   25   24   26   26   30                                       
CONECT   26   25   25   27   57                                       
CONECT   27   26   28   28   58                                       
CONECT   28   27   27   29   59                                       
CONECT   29   28   30   30   60                                       
CONECT   30   25   29   29   61                                       
CONECT   31   23   32   62                                            
CONECT   32   31   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   35   35   39                                       
CONECT   35   34   34   36   63                                       
CONECT   36   35   37   37   64                                       
CONECT   37   36   36   38   65                                       
CONECT   38   37   39   39   66                                       
CONECT   39   34   38   38   67                                       
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   15                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   35                                                      
CONECT   64   36                                                      
CONECT   65   37                                                      
CONECT   66   38                                                      
CONECT   67   39                                                      
CONECT   68   22                                                      
CONECT   69   21                                                      
CONECT   70   14                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
