COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNK A   0      -7.117  -0.067   1.611  1.00  0.00           F  
HETATM    2  C   UNK A   0      -7.101  -0.106   0.213  1.00  0.00           C  
HETATM    3  F   UNK A   0      -8.159  -0.899  -0.244  1.00  0.00           F  
HETATM    4  F   UNK A   0      -7.239   1.192  -0.291  1.00  0.00           F  
HETATM    5  C   UNK A   0      -5.774  -0.700  -0.266  1.00  0.00           C  
HETATM    6  F   UNK A   0      -5.636  -1.998   0.239  1.00  0.00           F  
HETATM    7  F   UNK A   0      -5.758  -0.739  -1.664  1.00  0.00           F  
HETATM    8  C   UNK A   0      -4.617   0.167   0.234  1.00  0.00           C  
HETATM    9  F   UNK A   0      -4.756   1.465  -0.270  1.00  0.00           F  
HETATM   10  F   UNK A   0      -4.633   0.206   1.632  1.00  0.00           F  
HETATM   11  C   UNK A   0      -3.291  -0.427  -0.245  1.00  0.00           C  
HETATM   12  F   UNK A   0      -3.153  -1.725   0.259  1.00  0.00           F  
HETATM   13  F   UNK A   0      -3.275  -0.466  -1.643  1.00  0.00           F  
HETATM   14  C   UNK A   0      -2.134   0.440   0.255  1.00  0.00           C  
HETATM   15  F   UNK A   0      -2.272   1.738  -0.249  1.00  0.00           F  
HETATM   16  F   UNK A   0      -2.150   0.479   1.653  1.00  0.00           F  
HETATM   17  C   UNK A   0      -0.808  -0.154  -0.224  1.00  0.00           C  
HETATM   18  F   UNK A   0      -0.669  -1.452   0.280  1.00  0.00           F  
HETATM   19  F   UNK A   0      -0.792  -0.193  -1.622  1.00  0.00           F  
HETATM   20  C   UNK A   0       0.350   0.713   0.276  1.00  0.00           C  
HETATM   21  F   UNK A   0       0.211   2.011  -0.228  1.00  0.00           F  
HETATM   22  F   UNK A   0       0.333   0.752   1.674  1.00  0.00           F  
HETATM   23  C   UNK A   0       1.676   0.119  -0.203  1.00  0.00           C  
HETATM   24  F   UNK A   0       1.814  -1.179   0.301  1.00  0.00           F  
HETATM   25  F   UNK A   0       1.692   0.080  -1.601  1.00  0.00           F  
HETATM   26  C   UNK A   0       2.816   0.973   0.289  1.00  0.00           C  
HETATM   27  O   UNK A   0       2.677   1.655   1.283  1.00  0.00           O  
ATOM     28  N   TRP A   1       3.989   0.979  -0.375  1.00  0.00           N  
ATOM     29  CA  TRP A   1       5.097   1.809   0.104  1.00  0.00           C  
ATOM     30  C   TRP A   1       4.948   3.207  -0.439  1.00  0.00           C  
ATOM     31  OXT TRP A   1       5.854   4.148  -0.131  1.00  0.00           O  
ATOM     32  O   TRP A   1       4.012   3.482  -1.153  1.00  0.00           O  
ATOM     33  CB  TRP A   1       6.423   1.215  -0.375  1.00  0.00           C  
ATOM     34  CG  TRP A   1       6.629  -0.133   0.266  1.00  0.00           C  
ATOM     35  CD2 TRP A   1       6.111  -1.416  -0.215  1.00  0.00           C  
ATOM     36  CE3 TRP A   1       5.332  -1.798  -1.309  1.00  0.00           C  
ATOM     37  CZ3 TRP A   1       5.009  -3.114  -1.484  1.00  0.00           C  
ATOM     38  CH2 TRP A   1       5.449  -4.074  -0.583  1.00  0.00           C  
ATOM     39  CZ2 TRP A   1       6.218  -3.718   0.503  1.00  0.00           C  
ATOM     40  CE2 TRP A   1       6.559  -2.385   0.701  1.00  0.00           C  
ATOM     41  NE1 TRP A   1       7.293  -1.726   1.662  1.00  0.00           N  
ATOM     42  CD1 TRP A   1       7.329  -0.387   1.384  1.00  0.00           C  
ATOM     43  H   TRP A   1       4.099   0.433  -1.169  1.00  0.00           H  
ATOM     44  HA  TRP A   1       5.084   1.840   1.193  1.00  0.00           H  
ATOM     45  HXT TRP A   1       5.716   5.029  -0.502  1.00  0.00           H  
ATOM     46  HB1 TRP A   1       6.400   1.103  -1.459  1.00  0.00           H  
ATOM     47  HB2 TRP A   1       7.240   1.880  -0.095  1.00  0.00           H  
ATOM     48  HE3 TRP A   1       4.986  -1.057  -2.014  1.00  0.00           H  
ATOM     49  HZ3 TRP A   1       4.406  -3.410  -2.330  1.00  0.00           H  
ATOM     50  HH2 TRP A   1       5.185  -5.110  -0.735  1.00  0.00           H  
ATOM     51  HZ2 TRP A   1       6.555  -4.473   1.199  1.00  0.00           H  
ATOM     52  HE1 TRP A   1       7.725  -2.150   2.421  1.00  0.00           H  
ATOM     53  HD1 TRP A   1       7.841   0.356   1.977  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    4    1    3    5                                       
CONECT    3    2                                                      
CONECT    4    2                                                      
CONECT    5    2    6    8    7                                       
CONECT    6    5                                                      
CONECT    7    5                                                      
CONECT    8    5    9   10   11                                       
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    8   12   13   14                                       
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14   11   16   15   17                                       
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17   14   18   19   20                                       
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20   17   22   21   23                                       
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23   20   26   24   25                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   27   27   23   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   29   43                                            
CONECT   29   30   28   33   44                                       
CONECT   30   32   32   29   31                                       
CONECT   31   30   45                                                 
CONECT   32   30   30                                                 
CONECT   33   29   34   46   47                                       
CONECT   34   33   42   42   35                                       
CONECT   35   34   36   36   40                                       
CONECT   36   35   35   37   48                                       
CONECT   37   36   38   38   49                                       
CONECT   38   37   37   39   50                                       
CONECT   39   40   40   38   51                                       
CONECT   40   35   41   39   39                                       
CONECT   41   42   40   52                                            
CONECT   42   34   34   41   53                                       
CONECT   43   28                                                      
CONECT   44   29                                                      
CONECT   45   31                                                      
CONECT   46   33                                                      
CONECT   47   33                                                      
CONECT   48   36                                                      
CONECT   49   37                                                      
CONECT   50   38                                                      
CONECT   51   39                                                      
CONECT   52   41                                                      
CONECT   53   42                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
