COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.789  -0.175  -0.609  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.337   3.760   0.841  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.794   2.519   0.119  1.00  0.00           C  
HETATM    4  C   UNL     1       0.056   1.888  -0.787  1.00  0.00           C  
HETATM    5  C   UNL     1       2.321   1.445  -2.297  1.00  0.00           C  
HETATM    6  C   UNL     1       2.816   0.199  -1.916  1.00  0.00           C  
HETATM    7  C   UNL     1       3.313  -1.466  -0.292  1.00  0.00           C  
HETATM    8  F   UNL     1       0.118   3.415   2.119  1.00  0.00           F  
HETATM    9  F   UNL     1       0.702   4.362   0.123  1.00  0.00           F  
HETATM   10  F   UNL     1      -1.406   4.655   0.953  1.00  0.00           F  
HETATM   11  S   UNL     1       1.664   2.543  -1.085  1.00  0.00           S  
HETATM   12  C   UNL     1       2.352   1.821  -3.633  1.00  0.00           C  
HETATM   13  C   UNL     1       2.872   0.961  -4.580  1.00  0.00           C  
HETATM   14  C   UNL     1       3.363  -0.275  -4.201  1.00  0.00           C  
HETATM   15  C   UNL     1       3.336  -0.657  -2.872  1.00  0.00           C  
HETATM   16  C   UNL     1       3.199  -1.707   1.214  1.00  0.00           C  
HETATM   17  C   UNL     1       3.644  -3.135   1.537  1.00  0.00           C  
HETATM   18  C   UNL     1       5.097  -3.327   1.099  1.00  0.00           C  
HETATM   19  C   UNL     1       5.990  -2.334   1.844  1.00  0.00           C  
HETATM   20  C   UNL     1       7.422  -2.523   1.413  1.00  0.00           C  
HETATM   21  O   UNL     1       8.389  -1.755   1.939  1.00  0.00           O  
HETATM   22  O   UNL     1       7.699  -3.366   0.593  1.00  0.00           O  
HETATM   23  C   UNL     1       5.545  -0.906   1.521  1.00  0.00           C  
HETATM   24  C   UNL     1       4.092  -0.714   1.960  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.362   0.740  -1.457  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.608   0.229  -1.228  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.466   0.861  -0.319  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.039   2.012   0.357  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.958   2.695   1.337  1.00  0.00           C  
HETATM   30  F   UNL     1      -3.716   3.663   0.669  1.00  0.00           F  
HETATM   31  F   UNL     1      -3.812   1.749   1.913  1.00  0.00           F  
HETATM   32  F   UNL     1      -2.198   3.309   2.339  1.00  0.00           F  
HETATM   33  C   UNL     1      -3.806   0.315  -0.071  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.097  -0.953  -0.434  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.432  -1.496  -0.187  1.00  0.00           C  
HETATM   36  O   UNL     1      -6.307  -0.779   0.264  1.00  0.00           O  
HETATM   37  N   UNL     1      -5.693  -2.790  -0.458  1.00  0.00           N  
HETATM   38  C   UNL     1      -7.046  -3.342  -0.283  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.942  -4.623   0.552  1.00  0.00           C  
HETATM   40  O   UNL     1      -5.973  -5.492  -0.039  1.00  0.00           O  
HETATM   41  C   UNL     1      -4.648  -4.957  -0.071  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.636  -3.691  -0.943  1.00  0.00           C  
HETATM   43  H   UNL     1       2.748  -2.229  -0.827  1.00  0.00           H  
HETATM   44  H   UNL     1       4.361  -1.515  -0.589  1.00  0.00           H  
HETATM   45  H   UNL     1       1.969   2.786  -3.931  1.00  0.00           H  
HETATM   46  H   UNL     1       2.896   1.254  -5.619  1.00  0.00           H  
HETATM   47  H   UNL     1       3.769  -0.945  -4.945  1.00  0.00           H  
HETATM   48  H   UNL     1       3.721  -1.623  -2.580  1.00  0.00           H  
HETATM   49  H   UNL     1       2.163  -1.570   1.526  1.00  0.00           H  
HETATM   50  H   UNL     1       3.562  -3.307   2.610  1.00  0.00           H  
HETATM   51  H   UNL     1       3.008  -3.843   1.006  1.00  0.00           H  
HETATM   52  H   UNL     1       5.414  -4.345   1.329  1.00  0.00           H  
HETATM   53  H   UNL     1       5.179  -3.155   0.026  1.00  0.00           H  
HETATM   54  H   UNL     1       5.909  -2.506   2.918  1.00  0.00           H  
HETATM   55  H   UNL     1       9.292  -1.914   1.631  1.00  0.00           H  
HETATM   56  H   UNL     1       6.181  -0.198   2.053  1.00  0.00           H  
HETATM   57  H   UNL     1       5.627  -0.734   0.448  1.00  0.00           H  
HETATM   58  H   UNL     1       3.775   0.303   1.730  1.00  0.00           H  
HETATM   59  H   UNL     1       4.010  -0.886   3.033  1.00  0.00           H  
HETATM   60  H   UNL     1       0.300   0.254  -2.158  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.931  -0.660  -1.748  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.560   0.928   0.403  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.344  -1.565  -0.907  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.674  -2.617   0.234  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.477  -3.573  -1.257  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.634  -4.372   1.567  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.911  -5.121   0.577  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.332  -4.707   0.942  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.966  -5.695  -0.493  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.828  -3.957  -1.983  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.668  -3.197  -0.863  1.00  0.00           H  
CONECT    1    7    6                                                 
CONECT    2   10    3    8    9                                       
CONECT    3    2   28   28    4                                       
CONECT    4    3   25   25   11                                       
CONECT    5    6    6   11   12                                       
CONECT    6    1    5    5   15                                       
CONECT    7    1   16   43   44                                       
CONECT    8    2                                                      
CONECT    9    2                                                      
CONECT   10    2                                                      
CONECT   11    4    5                                                 
CONECT   12    5   13   13   45                                       
CONECT   13   12   12   14   46                                       
CONECT   14   13   15   15   47                                       
CONECT   15    6   14   14   48                                       
CONECT   16    7   17   24   49                                       
CONECT   17   16   18   50   51                                       
CONECT   18   17   19   52   53                                       
CONECT   19   18   20   23   54                                       
CONECT   20   19   22   22   21                                       
CONECT   21   20   55                                                 
CONECT   22   20   20                                                 
CONECT   23   19   24   56   57                                       
CONECT   24   16   23   58   59                                       
CONECT   25    4    4   26   60                                       
CONECT   26   25   27   27   61                                       
CONECT   27   26   26   33   28                                       
CONECT   28    3    3   27   29                                       
CONECT   29   28   30   32   31                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
CONECT   33   27   34   34   62                                       
CONECT   34   33   33   35   63                                       
CONECT   35   34   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   38   42                                            
CONECT   38   37   39   64   65                                       
CONECT   39   38   40   66   67                                       
CONECT   40   39   41                                                 
CONECT   41   40   42   68   69                                       
CONECT   42   37   41   70   71                                       
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   21                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   38                                                      
CONECT   65   38                                                      
CONECT   66   39                                                      
CONECT   67   39                                                      
CONECT   68   41                                                      
CONECT   69   41                                                      
CONECT   70   42                                                      
CONECT   71   42                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
