COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   0       3.847   0.999   0.306  1.00  0.00           N  
HETATM    2  N   UNK A   0       1.247   0.008  -0.740  1.00  0.00           N  
HETATM    3  N   UNK A   0       2.125  -4.737  -2.686  1.00  0.00           N  
HETATM    4  N   UNK A   0       1.418  -6.862  -2.082  1.00  0.00           N  
HETATM    5  O   UNK A   0       2.595   0.032   1.862  1.00  0.00           O  
HETATM    6  C   UNK A   0       3.669   0.112   1.306  1.00  0.00           C  
HETATM    7  C   UNK A   0       4.807  -0.779   1.733  1.00  0.00           C  
HETATM    8  C   UNK A   0       4.925  -1.956   0.762  1.00  0.00           C  
HETATM    9  C   UNK A   0       6.136  -2.780   1.116  1.00  0.00           C  
HETATM   10  C   UNK A   0       6.022  -3.828   2.009  1.00  0.00           C  
HETATM   11  C   UNK A   0       7.133  -4.584   2.334  1.00  0.00           C  
HETATM   12  C   UNK A   0       8.358  -4.292   1.765  1.00  0.00           C  
HETATM   13  C   UNK A   0       8.472  -3.243   0.871  1.00  0.00           C  
HETATM   14  C   UNK A   0       7.360  -2.491   0.542  1.00  0.00           C  
HETATM   15  N   UNK A   0       4.550  -1.286   3.088  1.00  0.00           N  
HETATM   16  C   UNK A   0       2.741   1.871  -0.105  1.00  0.00           C  
HETATM   17  C   UNK A   0       3.316   3.137  -0.745  1.00  0.00           C  
HETATM   18  C   UNK A   0       2.286   4.238  -0.722  1.00  0.00           C  
HETATM   19  C   UNK A   0       2.529   5.671  -0.537  1.00  0.00           C  
HETATM   20  C   UNK A   0       3.673   6.447  -0.329  1.00  0.00           C  
HETATM   21  C   UNK A   0       3.557   7.801  -0.189  1.00  0.00           C  
HETATM   22  C   UNK A   0       2.315   8.417  -0.248  1.00  0.00           C  
HETATM   23  C   UNK A   0       1.173   7.670  -0.449  1.00  0.00           C  
HETATM   24  C   UNK A   0       1.268   6.291  -0.598  1.00  0.00           C  
HETATM   25  N   UNK A   0       0.335   5.301  -0.815  1.00  0.00           N  
HETATM   26  C   UNK A   0       0.961   4.086  -0.871  1.00  0.00           C  
HETATM   27  C   UNK A   0      -1.104   5.521  -0.981  1.00  0.00           C  
HETATM   28  C   UNK A   0      -1.877   4.405  -0.272  1.00  0.00           C  
HETATM   29  C   UNK A   0      -1.819   3.126  -1.110  1.00  0.00           C  
HETATM   30  C   UNK A   0      -3.230   2.669  -1.467  1.00  0.00           C  
HETATM   31  C   UNK A   0      -3.454   1.209  -1.061  1.00  0.00           C  
HETATM   32  C   UNK A   0      -4.659   0.664  -1.851  1.00  0.00           C  
HETATM   33  C   UNK A   0      -4.065  -0.143  -3.012  1.00  0.00           C  
HETATM   34  C   UNK A   0      -2.560  -0.218  -2.736  1.00  0.00           C  
HETATM   35  N   UNK A   0      -2.299   0.390  -1.421  1.00  0.00           N  
HETATM   36  C   UNK A   0      -1.174   0.169  -0.713  1.00  0.00           C  
HETATM   37  O   UNK A   0      -1.081   0.447   0.464  1.00  0.00           O  
HETATM   38  C   UNK A   0       0.025  -0.452  -1.388  1.00  0.00           C  
HETATM   39  C   UNK A   0      -0.048  -1.976  -1.264  1.00  0.00           C  
HETATM   40  C   UNK A   0       1.099  -2.608  -2.054  1.00  0.00           C  
HETATM   41  C   UNK A   0       1.026  -4.131  -1.930  1.00  0.00           C  
HETATM   42  C   UNK A   0       2.264  -6.104  -2.721  1.00  0.00           C  
HETATM   43  N   UNK A   0       3.296  -6.672  -3.431  1.00  0.00           N  
HETATM   44  C   UNK A   0       1.875   1.136  -1.096  1.00  0.00           C  
HETATM   45  O   UNK A   0       1.735   1.569  -2.220  1.00  0.00           O  
HETATM   46  C   UNK A   0      -3.767   1.135   0.408  1.00  0.00           C  
HETATM   47  O   UNK A   0      -4.238   2.098   0.977  1.00  0.00           O  
ATOM     48  N   TRP A   1      -3.526   0.000   1.092  1.00  0.00           N  
ATOM     49  CA  TRP A   1      -3.831  -0.072   2.523  1.00  0.00           C  
ATOM     50  C   TRP A   1      -2.671   0.480   3.313  1.00  0.00           C  
ATOM     51  OXT TRP A   1      -2.728   0.515   4.653  1.00  0.00           O  
ATOM     52  O   TRP A   1      -1.691   0.891   2.739  1.00  0.00           O  
ATOM     53  CB  TRP A   1      -4.071  -1.530   2.921  1.00  0.00           C  
ATOM     54  CG  TRP A   1      -5.304  -2.044   2.224  1.00  0.00           C  
ATOM     55  CD2 TRP A   1      -5.370  -2.611   0.875  1.00  0.00           C  
ATOM     56  CE3 TRP A   1      -4.426  -2.847  -0.125  1.00  0.00           C  
ATOM     57  CZ3 TRP A   1      -4.817  -3.406  -1.309  1.00  0.00           C  
ATOM     58  CH2 TRP A   1      -6.147  -3.741  -1.526  1.00  0.00           C  
ATOM     59  CZ2 TRP A   1      -7.095  -3.515  -0.552  1.00  0.00           C  
ATOM     60  CE2 TRP A   1      -6.719  -2.948   0.661  1.00  0.00           C  
ATOM     61  NE1 TRP A   1      -7.409  -2.607   1.802  1.00  0.00           N  
ATOM     62  CD1 TRP A   1      -6.549  -2.075   2.725  1.00  0.00           C  
HETATM   63  H   UNK A   0       4.706   1.063  -0.138  1.00  0.00           H  
HETATM   64  H   UNK A   0       1.603  -0.514  -0.006  1.00  0.00           H  
HETATM   65  H   UNK A   0       2.755  -4.173  -3.162  1.00  0.00           H  
HETATM   66  H   UNK A   0       1.516  -7.826  -2.106  1.00  0.00           H  
HETATM   67  H   UNK A   0       5.736  -0.210   1.728  1.00  0.00           H  
HETATM   68  H   UNK A   0       4.031  -2.575   0.832  1.00  0.00           H  
HETATM   69  H   UNK A   0       5.027  -1.578  -0.255  1.00  0.00           H  
HETATM   70  H   UNK A   0       5.064  -4.057   2.454  1.00  0.00           H  
HETATM   71  H   UNK A   0       7.043  -5.403   3.033  1.00  0.00           H  
HETATM   72  H   UNK A   0       9.226  -4.882   2.018  1.00  0.00           H  
HETATM   73  H   UNK A   0       9.429  -3.015   0.426  1.00  0.00           H  
HETATM   74  H   UNK A   0       7.448  -1.674  -0.159  1.00  0.00           H  
HETATM   75  H   UNK A   0       4.532  -0.533   3.758  1.00  0.00           H  
HETATM   76  H   UNK A   0       3.693  -1.818   3.118  1.00  0.00           H  
HETATM   77  H   UNK A   0       2.150   2.141   0.768  1.00  0.00           H  
HETATM   78  H   UNK A   0       4.196   3.454  -0.181  1.00  0.00           H  
HETATM   79  H   UNK A   0       3.602   2.926  -1.774  1.00  0.00           H  
HETATM   80  H   UNK A   0       4.646   5.979  -0.282  1.00  0.00           H  
HETATM   81  H   UNK A   0       4.442   8.401  -0.035  1.00  0.00           H  
HETATM   82  H   UNK A   0       2.241   9.489  -0.134  1.00  0.00           H  
HETATM   83  H   UNK A   0       0.209   8.157  -0.495  1.00  0.00           H  
HETATM   84  H   UNK A   0       0.468   3.135  -1.006  1.00  0.00           H  
HETATM   85  H   UNK A   0      -1.375   6.482  -0.544  1.00  0.00           H  
HETATM   86  H   UNK A   0      -1.353   5.518  -2.040  1.00  0.00           H  
HETATM   87  H   UNK A   0      -1.426   4.218   0.706  1.00  0.00           H  
HETATM   88  H   UNK A   0      -2.914   4.714  -0.138  1.00  0.00           H  
HETATM   89  H   UNK A   0      -1.264   3.331  -2.029  1.00  0.00           H  
HETATM   90  H   UNK A   0      -1.301   2.356  -0.548  1.00  0.00           H  
HETATM   91  H   UNK A   0      -3.961   3.299  -0.957  1.00  0.00           H  
HETATM   92  H   UNK A   0      -3.378   2.767  -2.548  1.00  0.00           H  
HETATM   93  H   UNK A   0      -5.255   0.017  -1.207  1.00  0.00           H  
HETATM   94  H   UNK A   0      -5.260   1.490  -2.227  1.00  0.00           H  
HETATM   95  H   UNK A   0      -4.490  -1.148  -3.019  1.00  0.00           H  
HETATM   96  H   UNK A   0      -4.263   0.355  -3.959  1.00  0.00           H  
HETATM   97  H   UNK A   0      -2.256  -1.268  -2.715  1.00  0.00           H  
HETATM   98  H   UNK A   0      -2.002   0.313  -3.507  1.00  0.00           H  
HETATM   99  H   UNK A   0       0.041  -0.168  -2.438  1.00  0.00           H  
HETATM  100  H   UNK A   0       0.033  -2.260  -0.215  1.00  0.00           H  
HETATM  101  H   UNK A   0      -1.000  -2.327  -1.662  1.00  0.00           H  
HETATM  102  H   UNK A   0       1.018  -2.325  -3.103  1.00  0.00           H  
HETATM  103  H   UNK A   0       2.051  -2.257  -1.655  1.00  0.00           H  
HETATM  104  H   UNK A   0       0.074  -4.483  -2.328  1.00  0.00           H  
HETATM  105  H   UNK A   0       1.107  -4.415  -0.880  1.00  0.00           H  
HETATM  106  H   UNK A   0       3.925  -6.108  -3.907  1.00  0.00           H  
HETATM  107  H   UNK A   0       3.394  -7.637  -3.456  1.00  0.00           H  
ATOM    108  H   TRP A   1      -3.149  -0.770   0.638  1.00  0.00           H  
ATOM    109  HA  TRP A   1      -4.725   0.514   2.734  1.00  0.00           H  
ATOM    110  HXT TRP A   1      -1.960   0.877   5.116  1.00  0.00           H  
ATOM    111  HB1 TRP A   1      -3.211  -2.132   2.630  1.00  0.00           H  
ATOM    112  HB2 TRP A   1      -4.210  -1.594   4.001  1.00  0.00           H  
ATOM    113  HE3 TRP A   1      -3.389  -2.589   0.036  1.00  0.00           H  
ATOM    114  HZ3 TRP A   1      -4.086  -3.589  -2.083  1.00  0.00           H  
ATOM    115  HH2 TRP A   1      -6.440  -4.181  -2.467  1.00  0.00           H  
ATOM    116  HZ2 TRP A   1      -8.127  -3.778  -0.730  1.00  0.00           H  
ATOM    117  HE1 TRP A   1      -8.363  -2.728   1.934  1.00  0.00           H  
ATOM    118  HD1 TRP A   1      -6.831  -1.730   3.708  1.00  0.00           H  
CONECT    1   16    6   63                                            
CONECT    2   38   44   64                                            
CONECT    3   41   42   65                                            
CONECT    4   42   42   66                                            
CONECT    5    6    6                                                 
CONECT    6    5    5    1    7                                       
CONECT    7    6   15    8   67                                       
CONECT    8    7    9   68   69                                       
CONECT    9    8   10   10   14                                       
CONECT   10    9    9   11   70                                       
CONECT   11   10   12   12   71                                       
CONECT   12   11   11   13   72                                       
CONECT   13   14   14   12   73                                       
CONECT   14    9   13   13   74                                       
CONECT   15    7   75   76                                            
CONECT   16   44   17    1   77                                       
CONECT   17   18   16   78   79                                       
CONECT   18   26   26   19   17                                       
CONECT   19   24   24   20   18                                       
CONECT   20   21   21   19   80                                       
CONECT   21   22   20   20   81                                       
CONECT   22   23   23   21   82                                       
CONECT   23   22   22   24   83                                       
CONECT   24   23   25   19   19                                       
CONECT   25   27   24   26                                            
CONECT   26   25   18   18   84                                       
CONECT   27   28   25   85   86                                       
CONECT   28   29   27   87   88                                       
CONECT   29   30   28   89   90                                       
CONECT   30   31   29   91   92                                       
CONECT   31   46   30   32   35                                       
CONECT   32   31   33   93   94                                       
CONECT   33   32   34   95   96                                       
CONECT   34   33   35   97   98                                       
CONECT   35   31   34   36                                            
CONECT   36   35   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   39    2   99                                       
CONECT   39   38   40  100  101                                       
CONECT   40   39   41  102  103                                       
CONECT   41   40    3  104  105                                       
CONECT   42    4    4    3   43                                       
CONECT   43   42  106  107                                            
CONECT   44    2   45   45   16                                       
CONECT   45   44   44                                                 
CONECT   46   47   47   48   31                                       
CONECT   47   46   46                                                 
CONECT   48   49   46  108                                            
CONECT   49   50   53   48  109                                       
CONECT   50   52   52   49   51                                       
CONECT   51   50  110                                                 
CONECT   52   50   50                                                 
CONECT   53   49   54  111  112                                       
CONECT   54   53   62   62   55                                       
CONECT   55   54   56   56   60                                       
CONECT   56   55   55   57  113                                       
CONECT   57   56   58   58  114                                       
CONECT   58   57   57   59  115                                       
CONECT   59   60   60   58  116                                       
CONECT   60   61   55   59   59                                       
CONECT   61   62   60  117                                            
CONECT   62   54   54   61  118                                       
CONECT   63    1                                                      
CONECT   64    2                                                      
CONECT   65    3                                                      
CONECT   66    4                                                      
CONECT   67    7                                                      
CONECT   68    8                                                      
CONECT   69    8                                                      
CONECT   70   10                                                      
CONECT   71   11                                                      
CONECT   72   12                                                      
CONECT   73   13                                                      
CONECT   74   14                                                      
CONECT   75   15                                                      
CONECT   76   15                                                      
CONECT   77   16                                                      
CONECT   78   17                                                      
CONECT   79   17                                                      
CONECT   80   20                                                      
CONECT   81   21                                                      
CONECT   82   22                                                      
CONECT   83   23                                                      
CONECT   84   26                                                      
CONECT   85   27                                                      
CONECT   86   27                                                      
CONECT   87   28                                                      
CONECT   88   28                                                      
CONECT   89   29                                                      
CONECT   90   29                                                      
CONECT   91   30                                                      
CONECT   92   30                                                      
CONECT   93   32                                                      
CONECT   94   32                                                      
CONECT   95   33                                                      
CONECT   96   33                                                      
CONECT   97   34                                                      
CONECT   98   34                                                      
CONECT   99   38                                                      
CONECT  100   39                                                      
CONECT  101   39                                                      
CONECT  102   40                                                      
CONECT  103   40                                                      
CONECT  104   41                                                      
CONECT  105   41                                                      
CONECT  106   43                                                      
CONECT  107   43                                                      
CONECT  108   48                                                      
CONECT  109   49                                                      
CONECT  110   51                                                      
CONECT  111   53                                                      
CONECT  112   53                                                      
CONECT  113   56                                                      
CONECT  114   57                                                      
CONECT  115   58                                                      
CONECT  116   59                                                      
CONECT  117   61                                                      
CONECT  118   62                                                      
MASTER        0    0    0    0    0    0    0    0  118    0  118    0
END
