COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -3.665   9.727  19.784  1.00  0.00           F  
HETATM    2  C   UNL     1      -4.859   9.111  19.808  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.064   8.037  18.952  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.282   7.384  18.952  1.00  0.00           C  
HETATM    5  N   UNL     1      -6.458   6.298  18.060  1.00  0.00           N  
HETATM    6  C   UNL     1      -6.419   5.049  18.512  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.593   3.961  17.667  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.821   4.084  16.235  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.843   5.470  15.793  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.673   6.522  16.676  1.00  0.00           C  
HETATM   11  O   UNL     1      -6.707   7.777  16.169  1.00  0.00           O  
HETATM   12  C   UNL     1      -7.294   7.813  19.819  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.083   8.898  20.687  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.853   9.557  20.669  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.604  10.618  21.483  1.00  0.00           N  
HETATM   16  C   UNL     1      -5.194  11.792  20.974  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.947  11.965  19.791  1.00  0.00           O  
HETATM   18  C   UNL     1      -5.035  12.976  21.905  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.894  12.537  23.297  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.567  11.932  23.543  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.064  12.428  24.897  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.150  13.373  25.400  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.030  13.697  24.192  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.011  11.276  25.800  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.049  10.365  25.645  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.216  10.472  24.755  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.962   9.179  26.543  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.700   8.728  27.648  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.218   7.525  28.153  1.00  0.00           C  
HETATM   30  S   UNL     1      -0.654   8.135  26.073  1.00  0.00           S  
HETATM   31  C   UNL     1      -1.128   7.124  27.391  1.00  0.00           C  
HETATM   32 CL   UNL     1      -0.183   5.574  27.708  1.00  0.00          Cl  
HETATM   33  H   UNL     1      -4.275   7.713  18.289  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.247   7.305  19.821  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.247   4.876  19.564  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.557   2.970  18.096  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.958   3.241  15.574  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.996   5.684  14.746  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.864   9.218  21.361  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.727  10.523  22.471  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.136  13.540  21.615  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.932  13.607  21.826  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.651  10.835  23.553  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.864  12.219  22.747  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.693  14.619  23.695  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.077  13.871  24.482  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.077  12.910  24.838  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.743  12.893  26.192  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.715  14.286  25.832  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.690  11.173  26.527  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.547   9.256  28.060  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.625   6.990  28.999  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3   14   14                                       
CONECT    3    2    4    4   33                                       
CONECT    4    3    3    5   12                                       
CONECT    5    4    6   10                                            
CONECT    6    5    7    7   35                                       
CONECT    7    6    6    8   36                                       
CONECT    8    7    9    9   37                                       
CONECT    9    8    8   10   38                                       
CONECT   10    5    9   11   11                                       
CONECT   11   10   10                                                 
CONECT   12    4   13   13   34                                       
CONECT   13   12   12   14   39                                       
CONECT   14    2    2   13   15                                       
CONECT   15   14   16   40                                            
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   41   42                                       
CONECT   19   18   20   23                                            
CONECT   20   19   21   43   44                                       
CONECT   21   20   22   24   47                                       
CONECT   22   21   23   48   49                                       
CONECT   23   19   22   45   46                                       
CONECT   24   21   25   50                                            
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   28   30                                       
CONECT   28   27   27   29   51                                       
CONECT   29   28   31   31   52                                       
CONECT   30   27   31                                                 
CONECT   31   29   29   30   32                                       
CONECT   32   31                                                      
CONECT   33    3                                                      
CONECT   34   12                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   24                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
