COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.745  -0.764  -1.831  1.00  0.00           C  
HETATM    2  O   UNL     1       7.480  -1.186  -1.318  1.00  0.00           O  
HETATM    3  C   UNL     1       6.503  -0.145  -1.252  1.00  0.00           C  
HETATM    4  C   UNL     1       5.196  -0.708  -0.691  1.00  0.00           C  
HETATM    5  C   UNL     1       3.995   0.245  -0.531  1.00  0.00           C  
HETATM    6  C   UNL     1       3.991  -0.820  -1.628  1.00  0.00           C  
HETATM    7  S   UNL     1       5.341  -1.965   0.616  1.00  0.00           S  
HETATM    8  C   UNL     1       3.627  -2.364   0.781  1.00  0.00           C  
HETATM    9  N   UNL     1       3.230  -3.676   0.893  1.00  0.00           N  
HETATM   10  N   UNL     1       2.743  -1.407   0.797  1.00  0.00           N  
HETATM   11  C   UNL     1       3.111   0.001   0.695  1.00  0.00           C  
HETATM   12  C   UNL     1       3.873   0.414   1.956  1.00  0.00           C  
HETATM   13  C   UNL     1       1.860   0.834   0.577  1.00  0.00           C  
HETATM   14  C   UNL     1       0.621   0.222   0.584  1.00  0.00           C  
HETATM   15  C   UNL     1       1.954   2.210   0.468  1.00  0.00           C  
HETATM   16  F   UNL     1       3.166   2.806   0.466  1.00  0.00           F  
HETATM   17  C   UNL     1       0.804   2.978   0.359  1.00  0.00           C  
HETATM   18  F   UNL     1       0.897   4.322   0.251  1.00  0.00           F  
HETATM   19  C   UNL     1      -0.438   2.369   0.359  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.532   0.988   0.476  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.787   0.370   0.483  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.797   0.888  -0.243  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.595   1.834  -0.978  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.153   0.305  -0.145  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.199   0.840  -0.896  1.00  0.00           C  
HETATM   26  N   UNL     1      -6.409   0.318  -0.808  1.00  0.00           N  
HETATM   27  N   UNL     1      -4.374  -0.736   0.656  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.580  -1.254   0.743  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.628  -0.715  -0.005  1.00  0.00           C  
HETATM   30  O   UNL     1      -7.870  -1.250   0.085  1.00  0.00           O  
HETATM   31  C   UNL     1      -8.895  -0.648  -0.708  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.167  -1.354  -0.484  1.00  0.00           C  
HETATM   33  C   UNL     1     -11.181  -1.917  -0.305  1.00  0.00           C  
HETATM   34  H   UNL     1       9.431  -1.612  -1.849  1.00  0.00           H  
HETATM   35  H   UNL     1       8.617  -0.379  -2.842  1.00  0.00           H  
HETATM   36  H   UNL     1       9.153   0.020  -1.193  1.00  0.00           H  
HETATM   37  H   UNL     1       6.865   0.652  -0.602  1.00  0.00           H  
HETATM   38  H   UNL     1       6.328   0.252  -2.251  1.00  0.00           H  
HETATM   39  H   UNL     1       4.127   1.284  -0.832  1.00  0.00           H  
HETATM   40  H   UNL     1       4.122  -0.483  -2.657  1.00  0.00           H  
HETATM   41  H   UNL     1       3.330  -1.676  -1.496  1.00  0.00           H  
HETATM   42  H   UNL     1       2.289  -3.892   0.983  1.00  0.00           H  
HETATM   43  H   UNL     1       3.891  -4.386   0.881  1.00  0.00           H  
HETATM   44  H   UNL     1       4.773  -0.193   2.052  1.00  0.00           H  
HETATM   45  H   UNL     1       4.150   1.466   1.885  1.00  0.00           H  
HETATM   46  H   UNL     1       3.239   0.264   2.830  1.00  0.00           H  
HETATM   47  H   UNL     1       0.549  -0.852   0.673  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.333   2.967   0.275  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.930  -0.431   1.011  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.020   1.681  -1.549  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.760  -2.098   1.393  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.005   0.399  -0.426  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.624  -0.713  -1.762  1.00  0.00           H  
HETATM   54  H   UNL     1     -12.089  -2.420  -0.145  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    1    3                                                 
CONECT    3    4    2   37   38                                       
CONECT    4    7    5    6    3                                       
CONECT    5   11    4    6   39                                       
CONECT    6    4    5   40   41                                       
CONECT    7    8    4                                                 
CONECT    8    9   10   10    7                                       
CONECT    9    8   42   43                                            
CONECT   10    8    8   11                                            
CONECT   11   10   13   12    5                                       
CONECT   12   11   44   45   46                                       
CONECT   13   14   11   15   15                                       
CONECT   14   20   20   13   47                                       
CONECT   15   13   13   17   16                                       
CONECT   16   15                                                      
CONECT   17   19   19   15   18                                       
CONECT   18   17                                                      
CONECT   19   20   17   17   48                                       
CONECT   20   21   14   14   19                                       
CONECT   21   22   20   49                                            
CONECT   22   24   23   23   21                                       
CONECT   23   22   22                                                 
CONECT   24   27   27   25   22                                       
CONECT   25   26   26   24   50                                       
CONECT   26   29   25   25                                            
CONECT   27   28   24   24                                            
CONECT   28   29   29   27   51                                       
CONECT   29   30   28   28   26                                       
CONECT   30   31   29                                                 
CONECT   31   32   30   52   53                                       
CONECT   32   33   33   33   31                                       
CONECT   33   32   32   32   54                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   14                                                      
CONECT   48   19                                                      
CONECT   49   21                                                      
CONECT   50   25                                                      
CONECT   51   28                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
CONECT   54   33                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
