COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -4.759   2.148   0.950  1.00  0.00           F  
HETATM    2  C   UNL     1      -3.698   1.564   0.250  1.00  0.00           C  
HETATM    3  F   UNL     1      -3.700   2.026  -1.070  1.00  0.00           F  
HETATM    4  F   UNL     1      -2.489   1.908   0.863  1.00  0.00           F  
HETATM    5  C   UNL     1      -3.856   0.065   0.257  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.998  -0.507   0.787  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.143  -1.882   0.794  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.147  -2.684   0.271  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.005  -2.113  -0.259  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.862  -0.738  -0.270  1.00  0.00           C  
HETATM   11  S   UNL     1      -1.410  -0.009  -0.951  1.00  0.00           S  
HETATM   12  O   UNL     1      -1.138  -0.785  -2.110  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.726   1.373  -1.052  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.134  -0.279   0.310  1.00  0.00           C  
HETATM   15  C   UNL     1       0.099  -1.790   0.521  1.00  0.00           C  
HETATM   16  N   UNL     1       1.563  -1.916   0.744  1.00  0.00           N  
HETATM   17  C   UNL     1       2.162  -0.953  -0.215  1.00  0.00           C  
HETATM   18  C   UNL     1       1.223   0.272  -0.175  1.00  0.00           C  
HETATM   19  C   UNL     1       3.550  -0.566   0.226  1.00  0.00           C  
HETATM   20  O   UNL     1       3.895  -0.750   1.375  1.00  0.00           O  
HETATM   21  N   UNL     1       4.409  -0.016  -0.655  1.00  0.00           N  
HETATM   22  C   UNL     1       5.758   0.360  -0.226  1.00  0.00           C  
HETATM   23  C   UNL     1       6.685   0.980  -1.273  1.00  0.00           C  
HETATM   24  C   UNL     1       6.929  -0.450  -0.786  1.00  0.00           C  
HETATM   25  C   UNL     1       5.873   0.863   1.191  1.00  0.00           C  
HETATM   26  N   UNL     1       4.862   1.398   1.764  1.00  0.00           N  
HETATM   27  H   UNL     1      -4.260  -3.759   0.277  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.227  -2.740  -0.667  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.423   0.194   1.248  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.450  -2.141   1.395  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.777   0.120   1.195  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.035  -2.328   1.208  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.199  -2.349  -0.366  1.00  0.00           H  
HETATM   34  H   UNL     1       1.123   0.705  -1.170  1.00  0.00           H  
HETATM   35  H   UNL     1       1.602   1.016   0.526  1.00  0.00           H  
HETATM   36  H   UNL     1       1.805  -1.678   1.694  1.00  0.00           H  
HETATM   37  H   UNL     1       2.186  -1.380  -1.218  1.00  0.00           H  
HETATM   38  H   UNL     1       4.133   0.131  -1.573  1.00  0.00           H  
HETATM   39  H   UNL     1       6.292   1.108  -2.281  1.00  0.00           H  
HETATM   40  H   UNL     1       7.379   1.751  -0.937  1.00  0.00           H  
HETATM   41  H   UNL     1       7.783  -0.619  -0.130  1.00  0.00           H  
HETATM   42  H   UNL     1       6.695  -1.262  -1.474  1.00  0.00           H  
HETATM   43  H   UNL     1       4.937   1.721   2.675  1.00  0.00           H  
HETATM   44  H   UNL     1       6.809   0.771   1.722  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    4    5                                       
CONECT    3    2                                                      
CONECT    4    2                                                      
CONECT    5    2    6   10   10                                       
CONECT    6    5    7    7   31                                       
CONECT    7    6    6    8   32                                       
CONECT    8    7    9    9   27                                       
CONECT    9    8    8   10   28                                       
CONECT   10    5    5    9   11                                       
CONECT   11   10   12   12   13                                       
CONECT   11   13   14                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   11   15   18   29                                       
CONECT   15   14   16   30   33                                       
CONECT   16   15   17   36                                            
CONECT   17   16   18   19   37                                       
CONECT   18   14   17   34   35                                       
CONECT   19   17   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   38                                            
CONECT   22   21   23   24   25                                       
CONECT   23   22   24   39   40                                       
CONECT   24   22   23   41   42                                       
CONECT   25   22   26   26   44                                       
CONECT   26   25   25   43                                            
CONECT   27    8                                                      
CONECT   28    9                                                      
CONECT   29   14                                                      
CONECT   30   15                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33   15                                                      
CONECT   34   18                                                      
CONECT   35   18                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   21                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43   26                                                      
CONECT   44   25                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
