COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNK A   0      -6.891   1.025   0.233  1.00  0.00           F  
HETATM    2  C   UNK A   0      -5.871   0.188  -0.229  1.00  0.00           C  
HETATM    3  F   UNK A   0      -6.069  -1.106   0.266  1.00  0.00           F  
HETATM    4  F   UNK A   0      -5.888   0.159  -1.628  1.00  0.00           F  
HETATM    5  C   UNK A   0      -4.519   0.717   0.253  1.00  0.00           C  
HETATM    6  F   UNK A   0      -4.321   2.010  -0.242  1.00  0.00           F  
HETATM    7  F   UNK A   0      -4.501   0.745   1.652  1.00  0.00           F  
HETATM    8  C   UNK A   0      -3.402  -0.199  -0.252  1.00  0.00           C  
HETATM    9  F   UNK A   0      -3.601  -1.493   0.243  1.00  0.00           F  
HETATM   10  F   UNK A   0      -3.420  -0.227  -1.651  1.00  0.00           F  
HETATM   11  C   UNK A   0      -2.050   0.330   0.231  1.00  0.00           C  
HETATM   12  F   UNK A   0      -1.852   1.623  -0.264  1.00  0.00           F  
HETATM   13  F   UNK A   0      -2.033   0.358   1.629  1.00  0.00           F  
HETATM   14  C   UNK A   0      -0.934  -0.586  -0.275  1.00  0.00           C  
HETATM   15  F   UNK A   0      -1.132  -1.880   0.220  1.00  0.00           F  
HETATM   16  F   UNK A   0      -0.951  -0.614  -1.673  1.00  0.00           F  
HETATM   17  C   UNK A   0       0.418  -0.057   0.208  1.00  0.00           C  
HETATM   18  F   UNK A   0       0.616   1.237  -0.287  1.00  0.00           F  
HETATM   19  F   UNK A   0       0.435  -0.029   1.607  1.00  0.00           F  
HETATM   20  C   UNK A   0       1.517  -0.959  -0.290  1.00  0.00           C  
HETATM   21  O   UNK A   0       1.348  -1.627  -1.288  1.00  0.00           O  
ATOM     22  N   TRP A   1       2.688  -1.024   0.374  1.00  0.00           N  
ATOM     23  CA  TRP A   1       3.757  -1.901  -0.110  1.00  0.00           C  
ATOM     24  C   TRP A   1       3.544  -3.294   0.423  1.00  0.00           C  
ATOM     25  O   TRP A   1       2.596  -3.530   1.134  1.00  0.00           O  
ATOM     26  OXT TRP A   1       4.407  -4.273   0.108  1.00  0.00           O  
ATOM     27  CB  TRP A   1       5.109  -1.372   0.373  1.00  0.00           C  
ATOM     28  CG  TRP A   1       5.378  -0.030  -0.259  1.00  0.00           C  
ATOM     29  CD2 TRP A   1       4.919   1.272   0.232  1.00  0.00           C  
ATOM     30  CE3 TRP A   1       4.158   1.682   1.329  1.00  0.00           C  
ATOM     31  CZ3 TRP A   1       3.896   3.010   1.513  1.00  0.00           C  
ATOM     32  CH2 TRP A   1       4.379   3.955   0.618  1.00  0.00           C  
ATOM     33  CZ2 TRP A   1       5.131   3.572  -0.470  1.00  0.00           C  
ATOM     34  CE2 TRP A   1       5.411   2.226  -0.678  1.00  0.00           C  
ATOM     35  NE1 TRP A   1       6.115   1.541  -1.643  1.00  0.00           N  
ATOM     36  CD1 TRP A   1       6.089   0.200  -1.374  1.00  0.00           C  
ATOM     37  H   TRP A   1       2.824  -0.489   1.172  1.00  0.00           H  
ATOM     38  HA  TRP A   1       3.744  -1.923  -1.200  1.00  0.00           H  
ATOM     39  HXT TRP A   1       4.228  -5.150   0.473  1.00  0.00           H  
ATOM     40  HB1 TRP A   1       5.092  -1.266   1.457  1.00  0.00           H  
ATOM     41  HB2 TRP A   1       5.896  -2.071   0.088  1.00  0.00           H  
ATOM     42  HE3 TRP A   1       3.779   0.952   2.028  1.00  0.00           H  
ATOM     43  HZ3 TRP A   1       3.307   3.327   2.361  1.00  0.00           H  
ATOM     44  HH2 TRP A   1       4.163   5.002   0.777  1.00  0.00           H  
ATOM     45  HZ2 TRP A   1       5.503   4.315  -1.161  1.00  0.00           H  
ATOM     46  HE1 TRP A   1       6.565   1.949  -2.399  1.00  0.00           H  
ATOM     47  HD1 TRP A   1       6.567  -0.562  -1.972  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    4    3    5    1                                       
CONECT    3    2                                                      
CONECT    4    2                                                      
CONECT    5    6    2    7    8                                       
CONECT    6    5                                                      
CONECT    7    5                                                      
CONECT    8    5   10    9   11                                       
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    8   13   12   14                                       
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14   11   16   15   17                                       
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17   14   20   19   18                                       
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20   21   21   17   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   37                                            
CONECT   23   22   24   27   38                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   39                                                 
CONECT   27   23   28   40   41                                       
CONECT   28   27   36   36   29                                       
CONECT   29   28   30   34   34                                       
CONECT   30   29   31   31   42                                       
CONECT   31   30   30   32   43                                       
CONECT   32   31   33   33   44                                       
CONECT   33   34   32   32   45                                       
CONECT   34   29   29   35   33                                       
CONECT   35   36   34   46                                            
CONECT   36   28   28   35   47                                       
CONECT   37   22                                                      
CONECT   38   23                                                      
CONECT   39   26                                                      
CONECT   40   27                                                      
CONECT   41   27                                                      
CONECT   42   30                                                      
CONECT   43   31                                                      
CONECT   44   32                                                      
CONECT   45   33                                                      
CONECT   46   35                                                      
CONECT   47   36                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
