COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.196  -0.019  -1.758  1.00  0.00           C  
HETATM    2  C   UNL     1       6.058   0.442   2.816  1.00  0.00           C  
HETATM    3  C   UNL     1       4.947   1.069   1.942  1.00  0.00           C  
HETATM    4  C   UNL     1       5.312   0.564   0.560  1.00  0.00           C  
HETATM    5  C   UNL     1       6.493  -0.498  -1.697  1.00  0.00           C  
HETATM    6  C   UNL     1       7.201  -0.444  -0.514  1.00  0.00           C  
HETATM    7  C   UNL     1       6.616   0.093   0.630  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.822   1.728  -0.631  1.00  0.00           C  
HETATM    9  C   UNL     1       4.606   0.513  -0.622  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.864   1.763  -0.272  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.387   1.034  -1.346  1.00  0.00           C  
HETATM   12  C   UNL     1       0.907   0.198  -0.351  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.046   0.695  -1.393  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.220   1.108  -0.341  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.778   0.774  -0.341  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.170  -0.739   0.795  1.00  0.00           O  
HETATM   17  S   UNL     1      -3.652  -2.018   0.457  1.00  0.00           S  
HETATM   18  O   UNL     1      -3.757  -3.112   1.358  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.195  -2.507  -1.203  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.917  -1.755   0.293  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.313  -0.582  -0.032  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.779   1.841   0.707  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.907   2.295   1.849  1.00  0.00           C  
HETATM   24  N   UNL     1      -5.061   2.143   0.703  1.00  0.00           N  
HETATM   25  C   UNL     1      -7.324   2.133  -0.217  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.961  -2.675   0.465  1.00  0.00           N  
HETATM   27  C   UNL     1       0.214  -2.135   0.271  1.00  0.00           C  
HETATM   28  N   UNL     1       0.050  -0.825  -0.050  1.00  0.00           N  
HETATM   29  N   UNL     1       0.473   1.403  -0.631  1.00  0.00           N  
HETATM   30  N   UNL     1       2.259  -0.044  -0.360  1.00  0.00           N  
HETATM   31  C   UNL     1       3.194   1.037  -0.680  1.00  0.00           C  
HETATM   32  F   UNL     1       4.509  -0.066  -2.920  1.00  0.00           F  
HETATM   33  O   UNL     1       7.133   0.257   1.879  1.00  0.00           O  
HETATM   34  H   UNL     1       6.354   1.124   3.613  1.00  0.00           H  
HETATM   35  H   UNL     1       5.736  -0.515   3.228  1.00  0.00           H  
HETATM   36  H   UNL     1       3.964   0.706   2.242  1.00  0.00           H  
HETATM   37  H   UNL     1       4.987   2.158   1.983  1.00  0.00           H  
HETATM   38  H   UNL     1       6.953  -0.916  -2.580  1.00  0.00           H  
HETATM   39  H   UNL     1       8.213  -0.820  -0.475  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.123   2.739  -0.864  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.054   0.732  -2.140  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.647   0.126  -2.219  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.970  -1.707  -1.909  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.672  -3.415  -1.504  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.269  -2.692  -1.194  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.494   3.278   1.622  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.503   2.353   2.760  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.094   1.583   1.991  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.878   1.349   0.299  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.440   3.074   0.321  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.709   2.244  -1.231  1.00  0.00           H  
HETATM   52  H   UNL     1       1.161  -2.648   0.345  1.00  0.00           H  
HETATM   53  H   UNL     1       2.595  -0.931  -0.155  1.00  0.00           H  
HETATM   54  H   UNL     1       3.077   1.845   0.042  1.00  0.00           H  
HETATM   55  H   UNL     1       2.987   1.412  -1.683  1.00  0.00           H  
CONECT    1   32    5    5    9                                       
CONECT    2   33    3   34   35                                       
CONECT    3    4    2   36   37                                       
CONECT    4    9    9    7    3                                       
CONECT    5    1    1    6   38                                       
CONECT    6    5    7    7   39                                       
CONECT    7    6    6    4   33                                       
CONECT    8   29   15   15   40                                       
CONECT    9    1   31    4    4                                       
CONECT   10   11   11   24   25                                       
CONECT   11   13   10   10   41                                       
CONECT   12   30   28   29   29                                       
CONECT   13   14   14   11   42                                       
CONECT   14   15   13   13   22                                       
CONECT   15   21    8    8   14                                       
CONECT   16   17   17                                                 
CONECT   17   20   16   16   19                                       
CONECT   17   18   18                                                 
CONECT   18   17   17                                                 
CONECT   19   17   43   44   45                                       
CONECT   20   26   21   21   17                                       
CONECT   21   28   20   20   15                                       
CONECT   22   14   23   24   24                                       
CONECT   23   22   46   47   48                                       
CONECT   24   22   22   10                                            
CONECT   25   10   49   50   51                                       
CONECT   26   27   27   20                                            
CONECT   27   26   26   28   52                                       
CONECT   28   27   12   21                                            
CONECT   29   12   12    8                                            
CONECT   30   31   12   53                                            
CONECT   31    9   30   54   55                                       
CONECT   32    1                                                      
CONECT   33    7    2                                                 
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    8                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   27                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
