COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       3.743  -4.843  -0.635  1.00  0.00           C  
HETATM    2  C   UNK A   0       2.888  -3.840  -1.043  1.00  0.00           C  
HETATM    3  C   UNK A   0       2.211  -3.074  -0.092  1.00  0.00           C  
HETATM    4  C   UNK A   0       2.406  -3.329   1.267  1.00  0.00           C  
HETATM    5  C   UNK A   0       3.264  -4.334   1.661  1.00  0.00           C  
HETATM    6  C   UNK A   0       3.931  -5.090   0.714  1.00  0.00           C  
HETATM    7  C   UNK A   0       4.470  -5.675  -1.660  1.00  0.00           C  
HETATM    8  C   UNK A   0       3.475  -4.610   3.128  1.00  0.00           C  
HETATM    9  C   UNK A   0       1.294  -1.998  -0.522  1.00  0.00           C  
HETATM   10  N   UNK A   0       0.397  -1.490   0.346  1.00  0.00           N  
HETATM   11  C   UNK A   0      -0.631  -0.557  -0.123  1.00  0.00           C  
HETATM   12  C   UNK A   0      -0.566   0.730   0.700  1.00  0.00           C  
HETATM   13  C   UNK A   0       0.748   1.423   0.446  1.00  0.00           C  
HETATM   14  C   UNK A   0       0.854   2.346  -0.578  1.00  0.00           C  
HETATM   15  C   UNK A   0       2.055   2.984  -0.815  1.00  0.00           C  
HETATM   16  C   UNK A   0       3.162   2.697  -0.020  1.00  0.00           C  
HETATM   17  C   UNK A   0       3.050   1.766   1.011  1.00  0.00           C  
HETATM   18  C   UNK A   0       1.843   1.138   1.242  1.00  0.00           C  
HETATM   19  C   UNK A   0       4.456   3.379  -0.270  1.00  0.00           C  
HETATM   20  C   UNK A   0       4.566   4.314  -1.298  1.00  0.00           C  
HETATM   21  C   UNK A   0       5.772   4.946  -1.526  1.00  0.00           C  
HETATM   22  C   UNK A   0       6.869   4.653  -0.737  1.00  0.00           C  
HETATM   23  C   UNK A   0       6.765   3.725   0.284  1.00  0.00           C  
HETATM   24  C   UNK A   0       5.563   3.092   0.525  1.00  0.00           C  
HETATM   25  C   UNK A   0       0.449  -1.871   1.760  1.00  0.00           C  
HETATM   26  O   UNK A   0       1.348  -1.571  -1.659  1.00  0.00           O  
HETATM   27  C   UNK A   0      -1.991  -1.187   0.035  1.00  0.00           C  
HETATM   28  O   UNK A   0      -2.144  -2.114   0.801  1.00  0.00           O  
ATOM     29  N   TRP A   1      -3.036  -0.719  -0.676  1.00  0.00           N  
ATOM     30  CA  TRP A   1      -4.359  -1.331  -0.522  1.00  0.00           C  
ATOM     31  C   TRP A   1      -4.465  -2.531  -1.427  1.00  0.00           C  
ATOM     32  CB  TRP A   1      -5.438  -0.313  -0.895  1.00  0.00           C  
ATOM     33  CG  TRP A   1      -5.411   0.830   0.087  1.00  0.00           C  
ATOM     34  CD1 TRP A   1      -6.172   0.958   1.185  1.00  0.00           C  
ATOM     35  NE1 TRP A   1      -5.868   2.125   1.830  1.00  0.00           N  
ATOM     36  CE2 TRP A   1      -4.879   2.795   1.146  1.00  0.00           C  
ATOM     37  CD2 TRP A   1      -4.545   2.010   0.027  1.00  0.00           C  
ATOM     38  CZ2 TRP A   1      -4.214   3.998   1.357  1.00  0.00           C  
ATOM     39  CH2 TRP A   1      -3.244   4.409   0.469  1.00  0.00           C  
ATOM     40  CZ3 TRP A   1      -2.923   3.634  -0.637  1.00  0.00           C  
ATOM     41  CE3 TRP A   1      -3.558   2.445  -0.860  1.00  0.00           C  
ATOM     42  O   TRP A   1      -3.533  -2.843  -2.129  1.00  0.00           O  
ATOM     43  OXT TRP A   1      -5.597  -3.253  -1.454  1.00  0.00           O  
HETATM   44  H   UNK A   0       2.742  -3.648  -2.095  1.00  0.00           H  
HETATM   45  H   UNK A   0       1.885  -2.739   2.007  1.00  0.00           H  
HETATM   46  H   UNK A   0       4.602  -5.876   1.028  1.00  0.00           H  
HETATM   47  H   UNK A   0       3.863  -6.542  -1.920  1.00  0.00           H  
HETATM   48  H   UNK A   0       4.649  -5.076  -2.553  1.00  0.00           H  
HETATM   49  H   UNK A   0       5.423  -6.008  -1.248  1.00  0.00           H  
HETATM   50  H   UNK A   0       2.747  -5.346   3.468  1.00  0.00           H  
HETATM   51  H   UNK A   0       4.483  -4.996   3.283  1.00  0.00           H  
HETATM   52  H   UNK A   0       3.349  -3.686   3.693  1.00  0.00           H  
HETATM   53  H   UNK A   0      -0.458  -0.326  -1.174  1.00  0.00           H  
HETATM   54  H   UNK A   0      -1.385   1.388   0.411  1.00  0.00           H  
HETATM   55  H   UNK A   0      -0.650   0.488   1.760  1.00  0.00           H  
HETATM   56  H   UNK A   0      -0.005   2.568  -1.195  1.00  0.00           H  
HETATM   57  H   UNK A   0       2.136   3.705  -1.616  1.00  0.00           H  
HETATM   58  H   UNK A   0       3.905   1.539   1.630  1.00  0.00           H  
HETATM   59  H   UNK A   0       1.754   0.419   2.043  1.00  0.00           H  
HETATM   60  H   UNK A   0       3.710   4.543  -1.915  1.00  0.00           H  
HETATM   61  H   UNK A   0       5.858   5.671  -2.322  1.00  0.00           H  
HETATM   62  H   UNK A   0       7.811   5.149  -0.919  1.00  0.00           H  
HETATM   63  H   UNK A   0       7.626   3.500   0.897  1.00  0.00           H  
HETATM   64  H   UNK A   0       5.482   2.371   1.326  1.00  0.00           H  
HETATM   65  H   UNK A   0       1.354  -1.465   2.212  1.00  0.00           H  
HETATM   66  H   UNK A   0      -0.425  -1.473   2.276  1.00  0.00           H  
HETATM   67  H   UNK A   0       0.457  -2.958   1.843  1.00  0.00           H  
ATOM     68  H   TRP A   1      -2.914   0.022  -1.289  1.00  0.00           H  
ATOM     69  HA  TRP A   1      -4.496  -1.644   0.513  1.00  0.00           H  
ATOM     70  HB1 TRP A   1      -5.249   0.066  -1.899  1.00  0.00           H  
ATOM     71  HB2 TRP A   1      -6.416  -0.794  -0.866  1.00  0.00           H  
ATOM     72  HD1 TRP A   1      -6.915   0.245   1.511  1.00  0.00           H  
ATOM     73  HE1 TRP A   1      -6.288   2.436   2.648  1.00  0.00           H  
ATOM     74  HZ2 TRP A   1      -4.457   4.609   2.214  1.00  0.00           H  
ATOM     75  HH2 TRP A   1      -2.730   5.344   0.634  1.00  0.00           H  
ATOM     76  HZ3 TRP A   1      -2.160   3.971  -1.324  1.00  0.00           H  
ATOM     77  HE3 TRP A   1      -3.302   1.847  -1.722  1.00  0.00           H  
ATOM     78  HXT TRP A   1      -5.618  -4.014  -2.051  1.00  0.00           H  
CONECT    1    7    2    2    6                                       
CONECT    2    1    1    3   44                                       
CONECT    3    2    9    4    4                                       
CONECT    4    3    3    5   45                                       
CONECT    5    6    6    4    8                                       
CONECT    6    1    5    5   46                                       
CONECT    7    1   47   48   49                                       
CONECT    8    5   50   51   52                                       
CONECT    9   26   26   10    3                                       
CONECT   10   11    9   25                                            
CONECT   11   27   10   12   53                                       
CONECT   12   11   13   54   55                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13   15   56                                       
CONECT   15   14   16   16   57                                       
CONECT   16   15   15   17   19                                       
CONECT   17   18   18   16   58                                       
CONECT   18   13   17   17   59                                       
CONECT   19   16   24   24   20                                       
CONECT   20   19   21   21   60                                       
CONECT   21   20   20   22   61                                       
CONECT   22   23   23   21   62                                       
CONECT   23   24   22   22   63                                       
CONECT   24   19   19   23   64                                       
CONECT   25   10   65   66   67                                       
CONECT   26    9    9                                                 
CONECT   27   29   28   28   11                                       
CONECT   28   27   27                                                 
CONECT   29   30   27   68                                            
CONECT   30   32   31   29   69                                       
CONECT   31   42   42   30   43                                       
CONECT   32   33   30   70   71                                       
CONECT   33   37   32   34   34                                       
CONECT   34   33   33   35   72                                       
CONECT   35   36   34   73                                            
CONECT   36   38   37   37   35                                       
CONECT   37   41   36   36   33                                       
CONECT   38   39   39   36   74                                       
CONECT   39   40   38   38   75                                       
CONECT   40   39   41   41   76                                       
CONECT   41   40   40   37   77                                       
CONECT   42   31   31                                                 
CONECT   43   31   78                                                 
CONECT   44    2                                                      
CONECT   45    4                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   43                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
