COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.830  -1.597  -0.914  1.00  0.00           C  
HETATM    2  C   UNL     1       6.317  -1.948  -0.954  1.00  0.00           C  
HETATM    3  C   UNL     1       6.158  -3.040   0.125  1.00  0.00           C  
HETATM    4  O   UNL     1       8.266  -1.998   0.401  1.00  0.00           O  
HETATM    5  N   UNL     1       5.581  -0.747  -0.541  1.00  0.00           N  
HETATM    6  C   UNL     1       7.830  -0.048  -0.975  1.00  0.00           C  
HETATM    7  C   UNL     1       6.549   0.303  -0.179  1.00  0.00           C  
HETATM    8  C   UNL     1       3.614   0.672  -0.055  1.00  0.00           C  
HETATM    9  C   UNL     1       4.239  -0.625  -0.501  1.00  0.00           C  
HETATM   10  C   UNL     1       4.057   0.986   1.376  1.00  0.00           C  
HETATM   11  C   UNL     1       1.391   1.652  -0.241  1.00  0.00           C  
HETATM   12  C   UNL     1       3.861   2.623   3.253  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.079   1.530  -0.285  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.872   2.672  -0.434  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.843   1.298  -0.367  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.317   1.173  -0.411  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.234   0.013  -0.359  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.467  -0.726  -0.369  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.330  -1.990  -0.350  1.00  0.00           C  
HETATM   20  O   UNL     1       3.535  -1.558  -0.823  1.00  0.00           O  
HETATM   21  C   UNL     1       7.588  -3.243   0.672  1.00  0.00           C  
HETATM   22  O   UNL     1       5.665  -4.249  -0.456  1.00  0.00           O  
HETATM   23  N   UNL     1       9.023   0.503  -0.320  1.00  0.00           N  
HETATM   24  C   UNL     1       3.525   2.361   1.784  1.00  0.00           C  
HETATM   25  C   UNL     1       4.174   3.439   0.913  1.00  0.00           C  
HETATM   26  N   UNL     1       2.155   0.551  -0.098  1.00  0.00           N  
HETATM   27  O   UNL     1       1.913   2.746  -0.334  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.679   0.272  -0.184  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.050   0.158  -0.225  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.244   2.557  -0.475  1.00  0.00           C  
HETATM   31  F   UNL     1      -3.011   3.660  -0.618  1.00  0.00           F  
HETATM   32  N   UNL     1      -4.938  -0.002  -0.308  1.00  0.00           N  
HETATM   33  S   UNL     1      -6.794   1.671  -0.556  1.00  0.00           S  
HETATM   34  C   UNL     1      -5.127   2.239  -0.552  1.00  0.00           C  
HETATM   35  N   UNL     1      -7.050  -1.102  -0.274  1.00  0.00           N  
HETATM   36  C   UNL     1      -6.789  -1.852   0.963  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.652  -3.116   0.981  1.00  0.00           C  
HETATM   38  N   UNL     1      -9.069  -2.740   0.886  1.00  0.00           N  
HETATM   39  C   UNL     1      -9.936  -3.923   0.977  1.00  0.00           C  
HETATM   40  H   UNL     1       8.399  -2.056  -1.722  1.00  0.00           H  
HETATM   41  H   UNL     1       6.007  -2.291  -1.941  1.00  0.00           H  
HETATM   42  H   UNL     1       5.491  -2.700   0.917  1.00  0.00           H  
HETATM   43  H   UNL     1       7.756   0.301  -2.005  1.00  0.00           H  
HETATM   44  H   UNL     1       6.175   1.283  -0.475  1.00  0.00           H  
HETATM   45  H   UNL     1       6.750   0.281   0.892  1.00  0.00           H  
HETATM   46  H   UNL     1       3.932   1.476  -0.719  1.00  0.00           H  
HETATM   47  H   UNL     1       3.664   0.228   2.053  1.00  0.00           H  
HETATM   48  H   UNL     1       5.146   0.989   1.426  1.00  0.00           H  
HETATM   49  H   UNL     1       4.942   2.597   3.389  1.00  0.00           H  
HETATM   50  H   UNL     1       3.481   3.602   3.544  1.00  0.00           H  
HETATM   51  H   UNL     1       3.398   1.855   3.874  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.408   3.644  -0.516  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.638  -0.183  -1.298  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.733  -0.092   0.477  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.384  -1.712  -0.392  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.084  -2.611  -1.212  1.00  0.00           H  
HETATM   57  H   UNL     1       7.560  -3.435   1.745  1.00  0.00           H  
HETATM   58  H   UNL     1       8.080  -4.065   0.151  1.00  0.00           H  
HETATM   59  H   UNL     1       5.546  -4.970   0.177  1.00  0.00           H  
HETATM   60  H   UNL     1       9.024   1.512  -0.359  1.00  0.00           H  
HETATM   61  H   UNL     1       9.095   0.179   0.633  1.00  0.00           H  
HETATM   62  H   UNL     1       2.443   2.387   1.648  1.00  0.00           H  
HETATM   63  H   UNL     1       3.934   3.253  -0.134  1.00  0.00           H  
HETATM   64  H   UNL     1       3.794   4.418   1.204  1.00  0.00           H  
HETATM   65  H   UNL     1       5.255   3.413   1.048  1.00  0.00           H  
HETATM   66  H   UNL     1       1.738  -0.322  -0.024  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.067  -0.611  -0.074  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.513  -0.815  -0.147  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.809   3.267  -0.645  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.736  -2.130   1.004  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.036  -1.231   1.824  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.387  -3.750   0.135  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.481  -3.659   1.911  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.770  -4.422   1.931  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.979  -3.616   0.904  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.701  -4.609   0.163  1.00  0.00           H  
CONECT    1    4    2    6   40                                       
CONECT    2    3    1    5   41                                       
CONECT    3   22   21    2   42                                       
CONECT    4   21    1                                                 
CONECT    5    2    7    9                                            
CONECT    6    1   23    7   43                                       
CONECT    7    6    5   44   45                                       
CONECT    8    9   10   26   46                                       
CONECT    9    5   20   20    8                                       
CONECT   10    8   24   47   48                                       
CONECT   11   26   27   27   13                                       
CONECT   12   24   49   50   51                                       
CONECT   13   11   28   28   14                                       
CONECT   14   13   30   30   52                                       
CONECT   15   29   29   30   16                                       
CONECT   16   15   32   34   34                                       
CONECT   17   32   32   35   33                                       
CONECT   18   35   19   53   54                                       
CONECT   19   38   18   55   56                                       
CONECT   20    9    9                                                 
CONECT   21    4    3   57   58                                       
CONECT   22    3   59                                                 
CONECT   23    6   60   61                                            
CONECT   24   10   12   25   62                                       
CONECT   25   24   63   64   65                                       
CONECT   26    8   11   66                                            
CONECT   27   11   11                                                 
CONECT   28   13   13   29   67                                       
CONECT   29   28   15   15   68                                       
CONECT   30   14   14   15   31                                       
CONECT   31   30                                                      
CONECT   32   16   17   17                                            
CONECT   33   17   34                                                 
CONECT   34   16   16   33   69                                       
CONECT   35   36   17   18                                            
CONECT   36   37   35   70   71                                       
CONECT   37   36   38   72   73                                       
CONECT   38   37   39   19                                            
CONECT   39   38   74   75   76                                       
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   14                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   34                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   39                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
