COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.290  -2.071   0.665  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.624   1.473  -0.687  1.00  0.00           C  
HETATM    3  C   UNL     1       0.270   3.712  -0.128  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.295   2.340   0.894  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.189  -0.666   0.012  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.476  -1.073   0.593  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.421  -2.307  -0.058  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.575  -3.154  -0.093  1.00  0.00           C  
HETATM    9  O   UNL     1       6.178  -5.417   1.289  1.00  0.00           O  
HETATM   10  C   UNL     1       6.145  -4.210   1.421  1.00  0.00           C  
HETATM   11  N   UNL     1     -10.491  -3.826  -0.121  1.00  0.00           N  
HETATM   12  OXT UNL     1       6.862  -3.619   2.396  1.00  0.00           O  
HETATM   13  CA  UNL     1       5.318  -3.389   0.511  1.00  0.00           C  
HETATM   14  C   UNL     1       4.565  -1.303  -0.124  1.00  0.00           C  
HETATM   15  C   UNL     1       3.795  -1.869  -1.161  1.00  0.00           C  
HETATM   16  C   UNL     1       3.810  -3.257  -1.341  1.00  0.00           C  
HETATM   17  C   UNL     1       4.578  -4.014  -0.496  1.00  0.00           C  
HETATM   18  N   UNL     1       3.168  -0.849  -1.793  1.00  0.00           N  
HETATM   19  C   UNL     1       3.492   0.279  -1.229  1.00  0.00           C  
HETATM   20  C   UNL     1       2.990   1.634  -1.657  1.00  0.00           C  
HETATM   21  N   UNL     1       1.753   1.949  -0.931  1.00  0.00           N  
HETATM   22  C   UNL     1       0.661   1.056  -1.340  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.803   2.660  -0.147  1.00  0.00           C  
HETATM   24  C   UNL     1       1.360   3.357  -1.142  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.112   2.970   0.463  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.110   2.099   0.362  1.00  0.00           N  
HETATM   27  O   UNL     1      -5.286   1.422   0.768  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.976   0.227   0.049  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.361  -0.261   0.624  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.237  -2.710  -0.678  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.127  -1.888  -0.641  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.536   3.520   1.588  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.520   4.453   1.714  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.290   4.175   1.141  1.00  0.00           C  
HETATM   35  N   UNL     1       4.350   0.058  -0.197  1.00  0.00           N  
HETATM   36  C   UNL     1       4.936   1.077   0.677  1.00  0.00           C  
HETATM   37  C   UNL     1       6.259   1.561   0.080  1.00  0.00           C  
HETATM   38  C   UNL     1       7.024   2.549   0.980  1.00  0.00           C  
HETATM   39  C   UNL     1       7.279   3.352  -0.309  1.00  0.00           C  
HETATM   40  O   UNL     1       6.117   2.673  -0.827  1.00  0.00           O  
HETATM   41  F   UNL     1      -4.980  -2.274  -1.241  1.00  0.00           F  
HETATM   42  H   UNL     1      -1.442   0.768  -0.662  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.166   4.677  -0.387  1.00  0.00           H  
HETATM   44  H   UNL     1       0.707   3.768   0.869  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.391  -0.755   1.071  1.00  0.00           H  
HETATM   46  HXT UNL     1       7.388  -4.197   2.966  1.00  0.00           H  
HETATM   47  H   UNL     1       3.230  -3.719  -2.126  1.00  0.00           H  
HETATM   48  H   UNL     1       4.611  -5.088  -0.609  1.00  0.00           H  
HETATM   49  H   UNL     1       3.744   2.388  -1.435  1.00  0.00           H  
HETATM   50  H   UNL     1       2.790   1.625  -2.729  1.00  0.00           H  
HETATM   51  H   UNL     1       0.901   0.035  -1.046  1.00  0.00           H  
HETATM   52  H   UNL     1       0.547   1.099  -2.423  1.00  0.00           H  
HETATM   53  H   UNL     1       0.973   3.483  -2.154  1.00  0.00           H  
HETATM   54  H   UNL     1       2.223   4.006  -0.994  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.157  -0.294   0.546  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.680   0.481  -0.969  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.404   0.693   1.127  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.188  -3.661  -1.187  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.506   3.708   2.023  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.684   5.378   2.248  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.477   4.882   1.222  1.00  0.00           H  
HETATM   62  H   UNL     1       4.248   1.918   0.767  1.00  0.00           H  
HETATM   63  H   UNL     1       5.117   0.649   1.663  1.00  0.00           H  
HETATM   64  H   UNL     1       6.874   0.749  -0.307  1.00  0.00           H  
HETATM   65  H   UNL     1       6.393   3.066   1.703  1.00  0.00           H  
HETATM   66  H   UNL     1       7.927   2.131   1.426  1.00  0.00           H  
HETATM   67  H   UNL     1       7.145   4.428  -0.193  1.00  0.00           H  
HETATM   68  H   UNL     1       8.207   3.090  -0.816  1.00  0.00           H  
CONECT    1   13   13   14                                            
CONECT    2   23   23   22   42                                       
CONECT    3   23   24   43   44                                       
CONECT    4   32   27   26   26                                       
CONECT    5   31   28   29   29                                       
CONECT    6    7    7   29   45                                       
CONECT    7   30    8    6    6                                       
CONECT    8   11   11   11    7                                       
CONECT    9   10   10                                                 
CONECT   10    9    9   12   13                                       
CONECT   11    8    8    8                                            
CONECT   12   10   46                                                 
CONECT   13   10    1    1   17                                       
CONECT   14    1   35   15   15                                       
CONECT   15   14   14   16   18                                       
CONECT   16   17   17   15   47                                       
CONECT   17   13   16   16   48                                       
CONECT   18   15   19   19                                            
CONECT   19   35   20   18   18                                       
CONECT   20   21   19   49   50                                       
CONECT   21   22   24   20                                            
CONECT   22    2   21   51   52                                       
CONECT   23   25    3    2    2                                       
CONECT   24    3   21   53   54                                       
CONECT   25   34   34   26   23                                       
CONECT   26    4    4   25                                            
CONECT   27    4   28                                                 
CONECT   28   27    5   55   56                                       
CONECT   29    5    5    6   57                                       
CONECT   30   31   31    7   58                                       
CONECT   31   41   30   30    5                                       
CONECT   32   33   33    4   59                                       
CONECT   33   32   32   34   60                                       
CONECT   34   33   25   25   61                                       
CONECT   35   36   14   19                                            
CONECT   36   37   35   62   63                                       
CONECT   37   40   36   38   64                                       
CONECT   38   37   39   65   66                                       
CONECT   39   40   38   67   68                                       
CONECT   40   37   39                                                 
CONECT   41   31                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    6                                                      
CONECT   46   12                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
CONECT   61   34                                                      
CONECT   62   36                                                      
CONECT   63   36                                                      
CONECT   64   37                                                      
CONECT   65   38                                                      
CONECT   66   38                                                      
CONECT   67   39                                                      
CONECT   68   39                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
