COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   0      -2.847   2.938   1.518  1.00  0.00           N  
HETATM    2  C   UNK A   0      -1.671   3.530   1.468  1.00  0.00           C  
HETATM    3  C   UNK A   0      -1.481   4.863   2.145  1.00  0.00           C  
HETATM    4  C   UNK A   0      -0.607   2.942   0.801  1.00  0.00           C  
HETATM    5  O   UNK A   0       0.603   3.556   0.754  1.00  0.00           O  
HETATM    6  C   UNK A   0      -0.802   1.699   0.176  1.00  0.00           C  
HETATM    7  C   UNK A   0       0.298   1.031  -0.545  1.00  0.00           C  
HETATM    8  C   UNK A   0      -2.070   1.113   0.259  1.00  0.00           C  
HETATM    9  C   UNK A   0      -3.070   1.772   0.944  1.00  0.00           C  
HETATM   10  C   UNK A   0      -2.340  -0.219  -0.393  1.00  0.00           C  
HETATM   11  O   UNK A   0      -3.700  -0.595  -0.164  1.00  0.00           O  
HETATM   12  P   UNK A   0      -4.337  -1.965  -0.719  1.00  0.00           P  
HETATM   13  O   UNK A   0      -3.520  -3.111  -0.258  1.00  0.00           O  
HETATM   14  O   UNK A   0      -5.840  -2.121  -0.166  1.00  0.00           O  
HETATM   15  O   UNK A   0      -4.357  -1.934  -2.329  1.00  0.00           O  
ATOM     16  N   TRP A   1       1.463   1.589  -0.609  1.00  0.00           N  
ATOM     17  CA  TRP A   1       2.555   0.926  -1.326  1.00  0.00           C  
ATOM     18  C   TRP A   1       3.030   1.812  -2.448  1.00  0.00           C  
ATOM     19  O   TRP A   1       2.510   2.887  -2.631  1.00  0.00           O  
ATOM     20  CB  TRP A   1       3.711   0.661  -0.360  1.00  0.00           C  
ATOM     21  CG  TRP A   1       3.271  -0.323   0.693  1.00  0.00           C  
ATOM     22  CD1 TRP A   1       2.786  -0.026   1.909  1.00  0.00           C  
ATOM     23  CD2 TRP A   1       3.285  -1.783   0.583  1.00  0.00           C  
ATOM     24  NE1 TRP A   1       2.493  -1.177   2.588  1.00  0.00           N  
ATOM     25  CE2 TRP A   1       2.787  -2.270   1.805  1.00  0.00           C  
ATOM     26  CE3 TRP A   1       3.667  -2.677  -0.420  1.00  0.00           C  
ATOM     27  CZ2 TRP A   1       2.683  -3.644   1.999  1.00  0.00           C  
ATOM     28  CZ3 TRP A   1       3.554  -4.022  -0.209  1.00  0.00           C  
ATOM     29  CH2 TRP A   1       3.068  -4.508   0.998  1.00  0.00           C  
ATOM     30  OXT TRP A   1       4.032   1.406  -3.245  1.00  0.00           O  
HETATM   31  H   UNK A   0      -2.423   5.411   2.141  1.00  0.00           H  
HETATM   32  H   UNK A   0      -1.157   4.706   3.174  1.00  0.00           H  
HETATM   33  H   UNK A   0      -0.724   5.437   1.610  1.00  0.00           H  
HETATM   34  H   UNK A   0       1.192   3.322   1.484  1.00  0.00           H  
HETATM   35  H   UNK A   0       0.131   0.075  -1.020  1.00  0.00           H  
HETATM   36  H   UNK A   0      -4.051   1.325   1.012  1.00  0.00           H  
HETATM   37  H   UNK A   0      -2.160  -0.143  -1.465  1.00  0.00           H  
HETATM   38  H   UNK A   0      -1.679  -0.973   0.034  1.00  0.00           H  
HETATM   39  H   UNK A   0      -6.287  -2.927  -0.461  1.00  0.00           H  
HETATM   40  H   UNK A   0      -4.875  -1.208  -2.701  1.00  0.00           H  
ATOM     41  HA  TRP A   1       2.199  -0.020  -1.735  1.00  0.00           H  
ATOM     42  HB1 TRP A   1       4.557   0.249  -0.911  1.00  0.00           H  
ATOM     43  HB2 TRP A   1       4.009   1.595   0.116  1.00  0.00           H  
ATOM     44  HD1 TRP A   1       2.648   0.974   2.295  1.00  0.00           H  
ATOM     45  HE1 TRP A   1       2.130  -1.217   3.487  1.00  0.00           H  
ATOM     46  HE3 TRP A   1       4.049  -2.306  -1.360  1.00  0.00           H  
ATOM     47  HZ2 TRP A   1       2.302  -4.032   2.932  1.00  0.00           H  
ATOM     48  HZ3 TRP A   1       3.849  -4.713  -0.985  1.00  0.00           H  
ATOM     49  HH2 TRP A   1       2.987  -5.574   1.151  1.00  0.00           H  
ATOM     50  HXT TRP A   1       4.302   2.009  -3.951  1.00  0.00           H  
CONECT    1    2    9    9                                            
CONECT    2    3    4    4    1                                       
CONECT    3    2   32   33   31                                       
CONECT    4    5    2    2    6                                       
CONECT    5    4   34                                                 
CONECT    6    4    7    8    8                                       
CONECT    7   16   16    6   35                                       
CONECT    8    6    6    9   10                                       
CONECT    9    1    1    8   36                                       
CONECT   10    8   11   37   38                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   13   15                                       
CONECT   12   14                                                      
CONECT   13   12   12                                                 
CONECT   14   12   39                                                 
CONECT   15   12   40                                                 
CONECT   16   17    7    7                                            
CONECT   17   18   20   16   41                                       
CONECT   18   19   19   30   17                                       
CONECT   19   18   18                                                 
CONECT   20   17   21   43   42                                       
CONECT   21   22   22   20   23                                       
CONECT   22   24   21   21   44                                       
CONECT   23   21   25   25   26                                       
CONECT   24   22   25   45                                            
CONECT   25   24   23   23   27                                       
CONECT   26   23   28   28   46                                       
CONECT   27   25   29   29   47                                       
CONECT   28   26   26   29   48                                       
CONECT   29   27   27   28   49                                       
CONECT   30   18   50                                                 
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
CONECT   50   30                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
