COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNK A   0       8.910  -0.687   1.578  1.00  0.00           F  
HETATM    2  C   UNK A   0       8.911  -0.624   0.181  1.00  0.00           C  
HETATM    3  F   UNK A   0      10.092  -0.015  -0.257  1.00  0.00           F  
HETATM    4  F   UNK A   0       8.832  -1.919  -0.344  1.00  0.00           F  
HETATM    5  C   UNK A   0       7.709   0.193  -0.294  1.00  0.00           C  
HETATM    6  F   UNK A   0       7.788   1.487   0.231  1.00  0.00           F  
HETATM    7  F   UNK A   0       7.710   0.256  -1.692  1.00  0.00           F  
HETATM    8  C   UNK A   0       6.418  -0.474   0.184  1.00  0.00           C  
HETATM    9  F   UNK A   0       6.338  -1.768  -0.341  1.00  0.00           F  
HETATM   10  F   UNK A   0       6.416  -0.536   1.582  1.00  0.00           F  
HETATM   11  C   UNK A   0       5.215   0.344  -0.291  1.00  0.00           C  
HETATM   12  F   UNK A   0       5.294   1.638   0.234  1.00  0.00           F  
HETATM   13  F   UNK A   0       5.216   0.407  -1.688  1.00  0.00           F  
HETATM   14  C   UNK A   0       3.924  -0.322   0.188  1.00  0.00           C  
HETATM   15  F   UNK A   0       3.844  -1.617  -0.337  1.00  0.00           F  
HETATM   16  F   UNK A   0       3.922  -0.385   1.586  1.00  0.00           F  
HETATM   17  C   UNK A   0       2.721   0.495  -0.287  1.00  0.00           C  
HETATM   18  F   UNK A   0       2.800   1.789   0.238  1.00  0.00           F  
HETATM   19  F   UNK A   0       2.723   0.558  -1.685  1.00  0.00           F  
HETATM   20  C   UNK A   0       1.430  -0.171   0.192  1.00  0.00           C  
HETATM   21  F   UNK A   0       1.350  -1.466  -0.333  1.00  0.00           F  
HETATM   22  F   UNK A   0       1.428  -0.234   1.590  1.00  0.00           F  
HETATM   23  C   UNK A   0       0.227   0.646  -0.283  1.00  0.00           C  
HETATM   24  F   UNK A   0       0.306   1.941   0.242  1.00  0.00           F  
HETATM   25  F   UNK A   0       0.229   0.709  -1.681  1.00  0.00           F  
HETATM   26  C   UNK A   0      -1.064  -0.020   0.196  1.00  0.00           C  
HETATM   27  F   UNK A   0      -1.143  -1.315  -0.329  1.00  0.00           F  
HETATM   28  F   UNK A   0      -1.066  -0.083   1.593  1.00  0.00           F  
HETATM   29  C   UNK A   0      -2.267   0.797  -0.280  1.00  0.00           C  
HETATM   30  F   UNK A   0      -2.188   2.092   0.246  1.00  0.00           F  
HETATM   31  F   UNK A   0      -2.265   0.860  -1.677  1.00  0.00           F  
HETATM   32  C   UNK A   0      -3.558   0.131   0.199  1.00  0.00           C  
HETATM   33  F   UNK A   0      -3.637  -1.164  -0.326  1.00  0.00           F  
HETATM   34  F   UNK A   0      -3.560   0.068   1.597  1.00  0.00           F  
HETATM   35  C   UNK A   0      -4.743   0.936  -0.269  1.00  0.00           C  
HETATM   36  O   UNK A   0      -4.647   1.640  -1.251  1.00  0.00           O  
ATOM     37  N   TRP A   1      -5.909   0.873   0.405  1.00  0.00           N  
ATOM     38  CA  TRP A   1      -7.060   1.656  -0.050  1.00  0.00           C  
ATOM     39  C   TRP A   1      -6.975   3.050   0.515  1.00  0.00           C  
ATOM     40  OXT TRP A   1      -7.930   3.950   0.230  1.00  0.00           O  
ATOM     41  O   TRP A   1      -6.048   3.358   1.225  1.00  0.00           O  
ATOM     42  CB  TRP A   1      -8.351   0.990   0.428  1.00  0.00           C  
ATOM     43  CG  TRP A   1      -8.498  -0.356  -0.234  1.00  0.00           C  
ATOM     44  CD2 TRP A   1      -7.908  -1.618   0.219  1.00  0.00           C  
ATOM     45  CE3 TRP A   1      -7.097  -1.980   1.296  1.00  0.00           C  
ATOM     46  CZ3 TRP A   1      -6.705  -3.280   1.444  1.00  0.00           C  
ATOM     47  CH2 TRP A   1      -7.106  -4.246   0.531  1.00  0.00           C  
ATOM     48  CZ2 TRP A   1      -7.906  -3.911  -0.539  1.00  0.00           C  
ATOM     49  CE2 TRP A   1      -8.317  -2.593  -0.709  1.00  0.00           C  
ATOM     50  NE1 TRP A   1      -9.097  -1.957  -1.649  1.00  0.00           N  
ATOM     51  CD1 TRP A   1      -9.198  -0.627  -1.347  1.00  0.00           C  
ATOM     52  H   TRP A   1      -5.985   0.310   1.190  1.00  0.00           H  
ATOM     53  HA  TRP A   1      -7.059   1.705  -1.139  1.00  0.00           H  
ATOM     54  HXT TRP A   1      -7.832   4.831   0.616  1.00  0.00           H  
ATOM     55  HB1 TRP A   1      -8.314   0.860   1.510  1.00  0.00           H  
ATOM     56  HB2 TRP A   1      -9.203   1.617   0.167  1.00  0.00           H  
ATOM     57  HE3 TRP A   1      -6.781  -1.234   2.010  1.00  0.00           H  
ATOM     58  HZ3 TRP A   1      -6.078  -3.559   2.278  1.00  0.00           H  
ATOM     59  HH2 TRP A   1      -6.788  -5.270   0.662  1.00  0.00           H  
ATOM     60  HZ2 TRP A   1      -8.213  -4.670  -1.244  1.00  0.00           H  
ATOM     61  HE1 TRP A   1      -9.515  -2.389  -2.411  1.00  0.00           H  
ATOM     62  HD1 TRP A   1      -9.756   0.099  -1.919  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    5    4    3                                       
CONECT    3    2                                                      
CONECT    4    2                                                      
CONECT    5    7    6    2    8                                       
CONECT    6    5                                                      
CONECT    7    5                                                      
CONECT    8    5    9   11   10                                       
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11   13   14    8   12                                       
CONECT   12   11                                                      
CONECT   13   11                                                      
CONECT   14   15   16   11   17                                       
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17   14   18   20   19                                       
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20   22   17   21   23                                       
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23   20   24   26   25                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   28   23   27   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26   31   30   32                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29   34   33   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   38   52                                            
CONECT   38   37   39   42   53                                       
CONECT   39   38   41   41   40                                       
CONECT   40   39   54                                                 
CONECT   41   39   39                                                 
CONECT   42   38   43   55   56                                       
CONECT   43   42   51   51   44                                       
CONECT   44   43   45   49   49                                       
CONECT   45   44   46   46   57                                       
CONECT   46   45   45   47   58                                       
CONECT   47   48   48   46   59                                       
CONECT   48   49   47   47   60                                       
CONECT   49   50   44   44   48                                       
CONECT   50   51   49   61                                            
CONECT   51   43   43   50   62                                       
CONECT   52   37                                                      
CONECT   53   38                                                      
CONECT   54   40                                                      
CONECT   55   42                                                      
CONECT   56   42                                                      
CONECT   57   45                                                      
CONECT   58   46                                                      
CONECT   59   47                                                      
CONECT   60   48                                                      
CONECT   61   50                                                      
CONECT   62   51                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
