COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.665  -0.168   0.450  1.00  0.00           C  
HETATM    2  C   UNL     1       3.830   0.776  -0.530  1.00  0.00           C  
HETATM    3  C   UNL     1       4.655   0.818  -1.638  1.00  0.00           C  
HETATM    4  C   UNL     1       4.168   0.450  -2.878  1.00  0.00           C  
HETATM    5  C   UNL     1       2.855   0.039  -3.015  1.00  0.00           C  
HETATM    6  C   UNL     1       3.507   2.721   1.495  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.938   0.384  -0.006  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.998  -0.539   0.438  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.041  -1.393   0.223  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.393  -1.704   0.078  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.299  -0.752   0.023  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.976   0.534   0.101  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.653   0.932   0.245  1.00  0.00           C  
HETATM   14  C   UNL     1       0.342  -0.036   0.309  1.00  0.00           C  
HETATM   15  C   UNL     1       0.970  -2.461   0.290  1.00  0.00           C  
HETATM   16  N   UNL     1       0.587  -3.753   0.278  1.00  0.00           N  
HETATM   17  O   UNL     1       2.151  -2.177   0.357  1.00  0.00           O  
HETATM   18  C   UNL     1       1.593  -4.816   0.345  1.00  0.00           C  
HETATM   19  N   UNL     1       1.674   0.321   0.454  1.00  0.00           N  
HETATM   20  C   UNL     1       2.511   0.364  -0.664  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.974   1.494   0.036  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.313   1.108   0.024  1.00  0.00           C  
HETATM   23  N   UNL     1      -5.237   1.959  -0.393  1.00  0.00           N  
HETATM   24  C   UNL     1      -6.516   1.634  -0.420  1.00  0.00           C  
HETATM   25  F   UNL     1      -8.250   0.063  -0.033  1.00  0.00           F  
HETATM   26  C   UNL     1       2.025  -0.005  -1.913  1.00  0.00           C  
HETATM   27  S   UNL     1       4.454   1.238   1.051  1.00  0.00           S  
HETATM   28  O   UNL     1       4.104   0.152   1.897  1.00  0.00           O  
HETATM   29  O   UNL     1       5.814   1.569   0.809  1.00  0.00           O  
HETATM   30  H   UNL     1      -3.908  -0.860   0.789  1.00  0.00           H  
HETATM   31  H   UNL     1       5.681   1.139  -1.534  1.00  0.00           H  
HETATM   32  H   UNL     1       4.815   0.485  -3.743  1.00  0.00           H  
HETATM   33  H   UNL     1       2.478  -0.248  -3.986  1.00  0.00           H  
HETATM   34  H   UNL     1       2.446   2.477   1.532  1.00  0.00           H  
HETATM   35  H   UNL     1       3.831   3.080   2.472  1.00  0.00           H  
HETATM   36  H   UNL     1       3.676   3.497   0.749  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.301  -1.522   0.766  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.699  -2.737   0.011  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.401   1.980   0.307  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.355  -3.979   0.225  1.00  0.00           H  
HETATM   41  H   UNL     1       1.097  -5.787   0.324  1.00  0.00           H  
HETATM   42  H   UNL     1       2.266  -4.733  -0.508  1.00  0.00           H  
HETATM   43  H   UNL     1       2.163  -4.719   1.269  1.00  0.00           H  
HETATM   44  H   UNL     1       2.024   0.540   1.331  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.741   2.435  -0.001  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.242   2.355  -0.766  1.00  0.00           H  
HETATM   47  H   UNL     1       1.000  -0.326  -2.020  1.00  0.00           H  
CONECT    1   22   22    8   30                                       
CONECT    2    3   27   20   20                                       
CONECT    3    4    4    2   31                                       
CONECT    4    3    3    5   32                                       
CONECT    5    4   26   26   33                                       
CONECT    6   27   34   35   36                                       
CONECT    7   24   25    8    8                                       
CONECT    8    7    7    1   37                                       
CONECT    9   14   15   10   10                                       
CONECT   10    9    9   11   38                                       
CONECT   11   12   12   10                                            
CONECT   12   13   21   11   11                                       
CONECT   13   14   14   12   39                                       
CONECT   14   19   13   13    9                                       
CONECT   15   17   17    9   16                                       
CONECT   16   15   18   40                                            
CONECT   17   15   15                                                 
CONECT   18   16   41   42   43                                       
CONECT   19   20   14   44                                            
CONECT   20    2    2   26   19                                       
CONECT   21   12   22   45                                            
CONECT   22   23   21    1    1                                       
CONECT   23   24   24   22                                            
CONECT   24   23   23    7   46                                       
CONECT   25    7                                                      
CONECT   26    5    5   20   47                                       
CONECT   27   29   29    6    2                                       
CONECT   27   28   28                                                 
CONECT   28   27   27                                                 
CONECT   29   27   27                                                 
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   13                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   24                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
