COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.116  -0.878  -1.008  1.00  0.00           C  
HETATM    2  O   UNL     1       7.439  -0.666   0.233  1.00  0.00           O  
HETATM    3  C   UNL     1       6.110  -0.391   0.171  1.00  0.00           C  
HETATM    4  C   UNL     1       5.392  -0.174   1.339  1.00  0.00           C  
HETATM    5  C   UNL     1       4.043   0.105   1.280  1.00  0.00           C  
HETATM    6  C   UNL     1       3.400   0.170   0.045  1.00  0.00           C  
HETATM    7  C   UNL     1       4.123  -0.048  -1.127  1.00  0.00           C  
HETATM    8  C   UNL     1       5.473  -0.322  -1.061  1.00  0.00           C  
HETATM    9  C   UNL     1       1.949   0.470  -0.023  1.00  0.00           C  
HETATM   10  C   UNL     1       1.227   0.693   1.148  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.123   0.972   1.082  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.763   1.030  -0.152  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.044   0.808  -1.319  1.00  0.00           C  
HETATM   14  C   UNL     1       1.306   0.535  -1.258  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.134   1.312  -0.217  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.543   2.567  -0.323  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.049   2.693  -0.381  1.00  0.00           C  
HETATM   18  S   UNL     1      -4.619   0.965  -0.273  1.00  0.00           S  
HETATM   19  C   UNL     1      -3.036   0.296  -0.178  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.790   3.516  -0.367  1.00  0.00           O  
HETATM   21  F   UNL     1      -0.825   1.189   2.217  1.00  0.00           F  
HETATM   22  C   UNL     1      -2.730  -1.063  -0.075  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.772  -2.024  -0.044  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.364  -1.485   0.000  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.280  -1.820   0.059  1.00  0.00           N  
HETATM   26  O   UNL     1      -3.476  -3.336   0.056  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.933  -1.665  -0.108  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.575  -4.249   0.081  1.00  0.00           C  
HETATM   29  H   UNL     1       9.169  -1.088  -0.816  1.00  0.00           H  
HETATM   30  H   UNL     1       7.666  -1.724  -1.527  1.00  0.00           H  
HETATM   31  H   UNL     1       8.030   0.015  -1.626  1.00  0.00           H  
HETATM   32  H   UNL     1       5.891  -0.225   2.296  1.00  0.00           H  
HETATM   33  H   UNL     1       3.485   0.273   2.189  1.00  0.00           H  
HETATM   34  H   UNL     1       3.628   0.001  -2.085  1.00  0.00           H  
HETATM   35  H   UNL     1       6.035  -0.491  -1.968  1.00  0.00           H  
HETATM   36  H   UNL     1       1.724   0.648   2.106  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.542   0.853  -2.276  1.00  0.00           H  
HETATM   38  H   UNL     1       1.865   0.366  -2.167  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.420   3.274   0.464  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.361   3.143  -1.324  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.152  -4.148  -0.837  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.199  -5.269   0.164  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.212  -4.027   0.937  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    1    3                                                 
CONECT    3    8    2    4    4                                       
CONECT    4    3    3    5   32                                       
CONECT    5    6    6    4   33                                       
CONECT    6    7    9    5    5                                       
CONECT    7    8    8    6   34                                       
CONECT    8    7    7    3   35                                       
CONECT    9   10   10    6   14                                       
CONECT   10   11    9    9   36                                       
CONECT   11   21   10   12   12                                       
CONECT   12   11   11   15   13                                       
CONECT   13   12   14   14   37                                       
CONECT   14    9   13   13   38                                       
CONECT   15   12   16   19                                            
CONECT   16   20   20   15   17                                       
CONECT   17   16   18   39   40                                       
CONECT   18   17   19                                                 
CONECT   19   15   18   22   22                                       
CONECT   20   16   16                                                 
CONECT   21   11                                                      
CONECT   22   19   19   24   23                                       
CONECT   23   22   27   27   26                                       
CONECT   24   25   25   25   22                                       
CONECT   25   24   24   24                                            
CONECT   26   23   28                                                 
CONECT   27   23   23                                                 
CONECT   28   26   41   42   43                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   28                                                      
CONECT   42   28                                                      
CONECT   43   28                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
