COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.005   0.264   0.702  1.00  0.00           C  
HETATM    2  C   UNL     1       5.360  -0.940   0.124  1.00  0.00           C  
HETATM    3  C   UNL     1       4.710  -1.380  -1.014  1.00  0.00           C  
HETATM    4  C   UNL     1       5.099  -2.694  -1.642  1.00  0.00           C  
HETATM    5  F   UNL     1       4.328  -3.722  -1.087  1.00  0.00           F  
HETATM    6  F   UNL     1       4.875  -2.636  -3.021  1.00  0.00           F  
HETATM    7  F   UNL     1       6.453  -2.944  -1.399  1.00  0.00           F  
HETATM    8  C   UNL     1       3.704  -0.617  -1.578  1.00  0.00           C  
HETATM    9  C   UNL     1       3.345   0.587  -1.004  1.00  0.00           C  
HETATM   10  C   UNL     1       3.992   1.029   0.141  1.00  0.00           C  
HETATM   11  O   UNL     1       3.641   2.213   0.708  1.00  0.00           O  
HETATM   12  S   UNL     1       2.564   2.093   1.776  1.00  0.00           S  
HETATM   13  O   UNL     1       2.926   0.931   2.509  1.00  0.00           O  
HETATM   14  O   UNL     1       2.541   3.372   2.396  1.00  0.00           O  
HETATM   15  C   UNL     1       1.033   1.809   0.846  1.00  0.00           C  
HETATM   16  C   UNL     1       0.692   3.031  -0.047  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.682   3.485   0.537  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.669   2.384   0.140  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.726   2.468  -0.883  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.388   2.625  -2.230  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.380   2.703  -3.183  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.715   2.624  -2.807  1.00  0.00           C  
HETATM   23  O   UNL     1      -5.690   2.701  -3.750  1.00  0.00           O  
HETATM   24  C   UNL     1      -5.056   2.467  -1.470  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.071   2.384  -0.510  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.496   3.182   1.961  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.199   1.754   1.803  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.371   1.316   0.921  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.038   0.003   0.920  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.966  -0.820  -0.208  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.591  -2.047  -0.205  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.740  -0.427   2.049  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.363  -1.656   2.045  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.293  -2.468   0.918  1.00  0.00           C  
HETATM   35  N   UNL     1      -3.928  -3.717   0.918  1.00  0.00           N  
HETATM   36  N   UNL     1      -3.942  -4.654  -0.129  1.00  0.00           N  
HETATM   37  C   UNL     1      -4.645  -5.675   0.287  1.00  0.00           C  
HETATM   38  N   UNL     1      -5.069  -5.433   1.527  1.00  0.00           N  
HETATM   39  C   UNL     1      -4.641  -4.262   1.923  1.00  0.00           C  
HETATM   40  H   UNL     1       5.512   0.607   1.591  1.00  0.00           H  
HETATM   41  H   UNL     1       6.145  -1.538   0.562  1.00  0.00           H  
HETATM   42  H   UNL     1       3.201  -0.961  -2.469  1.00  0.00           H  
HETATM   43  H   UNL     1       2.560   1.183  -1.444  1.00  0.00           H  
HETATM   44  H   UNL     1       1.104   0.898   0.251  1.00  0.00           H  
HETATM   45  H   UNL     1       1.441   3.815   0.063  1.00  0.00           H  
HETATM   46  H   UNL     1       0.592   2.734  -1.091  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.985   4.503   0.291  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.350   2.687  -2.524  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.119   2.825  -4.224  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.948   1.845  -4.120  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.095   2.407  -1.182  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.337   2.258   0.529  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.054   1.192   2.726  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.421  -0.493  -1.082  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.536  -2.683  -1.076  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.795   0.203   2.925  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.905  -1.990   2.917  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.848  -6.570  -0.282  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.829  -3.809   2.885  1.00  0.00           H  
CONECT    1   10   10    2   40                                       
CONECT    2    3    3    1   41                                       
CONECT    3    8    4    2    2                                       
CONECT    4    6    5    7    3                                       
CONECT    5    4                                                      
CONECT    6    4                                                      
CONECT    7    4                                                      
CONECT    8    9    9    3   42                                       
CONECT    9    8    8   10   43                                       
CONECT   10    9   11    1    1                                       
CONECT   11   10   12                                                 
CONECT   12   14   14   11   13                                       
CONECT   12   13   15                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   12   16   27   44                                       
CONECT   16   15   17   45   46                                       
CONECT   17   16   26   18   47                                       
CONECT   18   17   28   28   19                                       
CONECT   19   18   20   20   25                                       
CONECT   20   19   19   21   48                                       
CONECT   21   20   22   22   49                                       
CONECT   22   21   21   24   23                                       
CONECT   23   22   50                                                 
CONECT   24   25   25   22   51                                       
CONECT   25   19   24   24   52                                       
CONECT   26   27   17                                                 
CONECT   27   15   26   28   53                                       
CONECT   28   27   18   18   29                                       
CONECT   29   28   30   30   32                                       
CONECT   30   29   29   31   54                                       
CONECT   31   30   34   34   55                                       
CONECT   32   29   33   33   56                                       
CONECT   33   32   32   34   57                                       
CONECT   34   31   31   33   35                                       
CONECT   35   34   36   39                                            
CONECT   36   35   37   37                                            
CONECT   37   36   36   38   58                                       
CONECT   38   37   39   39                                            
CONECT   39   35   38   38   59                                       
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   27                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
CONECT   58   37                                                      
CONECT   59   39                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
