COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1       4.794   5.262   0.032  1.00  0.00           F  
HETATM    2  C   UNL     1       3.559   4.714  -0.003  1.00  0.00           C  
HETATM    3  C   UNL     1       3.054   4.221  -1.194  1.00  0.00           C  
HETATM    4  C   UNL     1       1.793   3.656  -1.228  1.00  0.00           C  
HETATM    5  C   UNL     1       2.801   4.640   1.153  1.00  0.00           C  
HETATM    6  C   UNL     1       1.539   4.078   1.116  1.00  0.00           C  
HETATM    7  C   UNL     1       1.037   3.582  -0.073  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.337   2.966  -0.111  1.00  0.00           C  
HETATM    9  S   UNL     1      -0.212   1.191   0.219  1.00  0.00           S  
HETATM   10  C   UNL     1      -1.912   0.739   0.117  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.898   1.565  -0.137  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.069   0.880  -0.142  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.413   1.230  -0.350  1.00  0.00           C  
HETATM   14  N   UNL     1      -5.770   2.541  -0.623  1.00  0.00           N  
HETATM   15  N   UNL     1      -6.334   0.275  -0.279  1.00  0.00           N  
HETATM   16  C   UNL     1      -6.003  -0.976  -0.020  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.757  -1.350   0.181  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.768  -0.464   0.130  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.402  -0.528   0.284  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.617  -1.730   0.575  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.874  -2.197  -0.702  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.218  -3.547  -1.020  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.608  -1.431   1.571  1.00  0.00           O  
HETATM   24  C   UNL     1       0.512  -2.246   1.234  1.00  0.00           C  
HETATM   25  C   UNL     1       0.605  -2.089  -0.308  1.00  0.00           C  
HETATM   26  O   UNL     1       1.424  -3.168  -0.770  1.00  0.00           O  
HETATM   27  C   UNL     1       1.842  -1.862   1.851  1.00  0.00           C  
HETATM   28  O   UNL     1       2.801  -2.862   1.432  1.00  0.00           O  
HETATM   29  P   UNL     1       2.924  -3.270  -0.135  1.00  0.00           P  
HETATM   30  S   UNL     1       4.226  -1.927  -1.133  1.00  0.00           S  
HETATM   31  O   UNL     1       3.432  -4.655  -0.258  1.00  0.00           O  
HETATM   32  H   UNL     1       3.644   4.279  -2.097  1.00  0.00           H  
HETATM   33  H   UNL     1       1.399   3.271  -2.157  1.00  0.00           H  
HETATM   34  H   UNL     1       3.196   5.019   2.083  1.00  0.00           H  
HETATM   35  H   UNL     1       0.947   4.020   2.018  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.966   3.433   0.647  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.779   3.122  -1.095  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.088   3.229  -0.672  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.701   2.770  -0.765  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.784  -1.722   0.028  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.273  -2.523   0.934  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.098  -1.537  -1.540  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.157  -3.680  -1.206  1.00  0.00           H  
HETATM   44  H   UNL     1       0.294  -3.285   1.482  1.00  0.00           H  
HETATM   45  H   UNL     1       1.019  -1.120  -0.586  1.00  0.00           H  
HETATM   46  H   UNL     1       2.148  -0.879   1.493  1.00  0.00           H  
HETATM   47  H   UNL     1       1.760  -1.854   2.938  1.00  0.00           H  
HETATM   48  H   UNL     1       5.386  -2.081  -0.470  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    3    5    1                                       
CONECT    3    4    2    2   32                                       
CONECT    4    7    7    3   33                                       
CONECT    5    6    6    2   34                                       
CONECT    6    7    5    5   35                                       
CONECT    7    8    4    4    6                                       
CONECT    8    9    7   36   37                                       
CONECT    9   10    8                                                 
CONECT   10   19    9   11   11                                       
CONECT   11   10   10   12                                            
CONECT   12   18   11   13   13                                       
CONECT   13   15   12   12   14                                       
CONECT   14   13   38   39                                            
CONECT   15   16   16   13                                            
CONECT   16   17   15   15   40                                       
CONECT   17   18   18   16                                            
CONECT   18   17   17   19   12                                       
CONECT   19   20   18   10                                            
CONECT   20   23   21   19   41                                       
CONECT   21   25   22   20   42                                       
CONECT   22   21   43                                                 
CONECT   23   24   20                                                 
CONECT   24   27   23   25   44                                       
CONECT   25   24   26   21   45                                       
CONECT   26   29   25                                                 
CONECT   27   28   24   46   47                                       
CONECT   28   27   29                                                 
CONECT   29   31   31   28   26                                       
CONECT   29   30                                                      
CONECT   30   29   48                                                 
CONECT   31   29   29                                                 
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   30                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
