COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.810   3.375  -0.012  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.463   2.770   0.291  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.252   2.005   1.572  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.462   2.911  -0.572  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.309   2.000  -0.517  1.00  0.00           C  
HETATM    6  O   UNL     1      -6.196   1.218   0.408  1.00  0.00           O  
HETATM    7  N   UNL     1      -5.378   2.030  -1.491  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.237   1.231  -1.392  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.760   0.562  -2.514  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.635  -0.228  -2.420  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.578   1.110  -0.173  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.452   0.323  -0.071  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.973  -0.356  -1.195  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.769  -1.199  -1.091  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.628  -2.334  -0.362  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.647  -2.976   0.487  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.805  -3.507  -0.088  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.755  -4.106   0.710  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.563  -4.183   2.084  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.503  -4.775   2.866  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.414  -3.658   2.659  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.455  -3.062   1.869  1.00  0.00           C  
HETATM   23  C   UNL     1       0.807  -2.813  -0.602  1.00  0.00           C  
HETATM   24  C   UNL     1       1.706  -1.821   0.200  1.00  0.00           C  
HETATM   25  O   UNL     1       1.018  -2.359  -1.981  1.00  0.00           O  
HETATM   26  C   UNL     1       0.576  -0.977  -1.789  1.00  0.00           C  
HETATM   27  C   UNL     1       1.550  -0.512  -0.618  1.00  0.00           C  
HETATM   28  S   UNL     1       3.147   0.026  -1.290  1.00  0.00           S  
HETATM   29  O   UNL     1       3.788  -1.044  -1.970  1.00  0.00           O  
HETATM   30  O   UNL     1       3.029   1.309  -1.890  1.00  0.00           O  
HETATM   31  N   UNL     1       4.091   0.285   0.045  1.00  0.00           N  
HETATM   32  C   UNL     1       4.953  -0.785   0.552  1.00  0.00           C  
HETATM   33  C   UNL     1       6.361  -0.622  -0.024  1.00  0.00           C  
HETATM   34  F   UNL     1       7.184  -1.645   0.460  1.00  0.00           F  
HETATM   35  F   UNL     1       6.305  -0.691  -1.420  1.00  0.00           F  
HETATM   36  F   UNL     1       6.882   0.617   0.362  1.00  0.00           F  
HETATM   37  C   UNL     1       4.066   1.527   0.690  1.00  0.00           C  
HETATM   38  C   UNL     1       4.188   1.596   2.072  1.00  0.00           C  
HETATM   39  C   UNL     1       4.162   2.822   2.707  1.00  0.00           C  
HETATM   40  C   UNL     1       4.015   3.985   1.965  1.00  0.00           C  
HETATM   41  O   UNL     1       3.990   5.192   2.592  1.00  0.00           O  
HETATM   42  C   UNL     1       3.894   3.917   0.585  1.00  0.00           C  
HETATM   43  C   UNL     1       3.925   2.693  -0.052  1.00  0.00           C  
HETATM   44  H   UNL     1     -10.419   2.654  -0.556  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.307   3.640   0.922  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.678   4.271  -0.619  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.195   1.762   1.679  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.571   2.616   2.417  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.836   1.086   1.547  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.495   3.695  -1.315  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.500   2.608  -2.261  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.272   0.661  -3.459  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.265  -0.748  -3.292  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.949   1.635   0.695  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.941   0.231   0.875  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.956  -3.446  -1.156  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.651  -4.516   0.267  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.369  -5.725   2.992  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.269  -3.721   3.728  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.559  -2.658   2.317  1.00  0.00           H  
HETATM   61  H   UNL     1       0.989  -3.871  -0.415  1.00  0.00           H  
HETATM   62  H   UNL     1       1.326  -1.694   1.214  1.00  0.00           H  
HETATM   63  H   UNL     1       2.745  -2.151   0.214  1.00  0.00           H  
HETATM   64  H   UNL     1       0.548  -0.356  -2.684  1.00  0.00           H  
HETATM   65  H   UNL     1       1.099   0.275  -0.013  1.00  0.00           H  
HETATM   66  H   UNL     1       4.997  -0.732   1.640  1.00  0.00           H  
HETATM   67  H   UNL     1       4.547  -1.751   0.252  1.00  0.00           H  
HETATM   68  H   UNL     1       4.301   0.690   2.649  1.00  0.00           H  
HETATM   69  H   UNL     1       4.257   2.875   3.781  1.00  0.00           H  
HETATM   70  H   UNL     1       4.861   5.600   2.692  1.00  0.00           H  
HETATM   71  H   UNL     1       3.779   4.823   0.009  1.00  0.00           H  
HETATM   72  H   UNL     1       3.835   2.641  -1.127  1.00  0.00           H  
CONECT    1    2   44   45   46                                       
CONECT    2    3    4    4    1                                       
CONECT    3    2   47   48   49                                       
CONECT    4    5    2    2   50                                       
CONECT    5    6    6    7    4                                       
CONECT    6    5    5                                                 
CONECT    7    8    5   51                                            
CONECT    8   11   11    9    7                                       
CONECT    9   10   10    8   52                                       
CONECT   10   13    9    9   53                                       
CONECT   11   12    8    8   54                                       
CONECT   12   13   13   11   55                                       
CONECT   13   14   12   12   10                                       
CONECT   14   26   15   15   13                                       
CONECT   15   23   14   14   16                                       
CONECT   16   15   22   22   17                                       
CONECT   17   16   18   18   56                                       
CONECT   18   17   17   19   57                                       
CONECT   19   21   21   18   20                                       
CONECT   20   19   58                                                 
CONECT   21   22   19   19   59                                       
CONECT   22   16   16   21   60                                       
CONECT   23   24   25   15   61                                       
CONECT   24   27   23   62   63                                       
CONECT   25   26   23                                                 
CONECT   26   27   25   14   64                                       
CONECT   27   28   24   26   65                                       
CONECT   28   29   29   30   30                                       
CONECT   28   31   27                                                 
CONECT   29   28   28                                                 
CONECT   30   28   28                                                 
CONECT   31   32   28   37                                            
CONECT   32   33   31   66   67                                       
CONECT   33   35   32   36   34                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   33                                                      
CONECT   37   31   43   43   38                                       
CONECT   38   37   39   39   68                                       
CONECT   39   38   38   40   69                                       
CONECT   40   42   42   39   41                                       
CONECT   41   40   70                                                 
CONECT   42   43   40   40   71                                       
CONECT   43   37   37   42   72                                       
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    7                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   38                                                      
CONECT   69   39                                                      
CONECT   70   41                                                      
CONECT   71   42                                                      
CONECT   72   43                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
