COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -2.894   4.023   0.055  1.00  0.00           F  
HETATM    2  C   UNL     1      -2.804   2.675   0.056  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.204   2.019  -1.006  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.650   2.810  -2.164  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.112   0.641  -1.004  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.620  -0.085   0.058  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.219   0.568   1.119  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.306   1.947   1.122  1.00  0.00           C  
HETATM    9  S   UNL     1      -2.503  -1.843   0.059  1.00  0.00           S  
HETATM   10  O   UNL     1      -3.611  -2.318   0.811  1.00  0.00           O  
HETATM   11  O   UNL     1      -2.253  -2.229  -1.286  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.147  -2.244   0.920  1.00  0.00           N  
HETATM   13  C   UNL     1       0.115  -1.848   0.463  1.00  0.00           C  
HETATM   14  C   UNL     1       0.782  -0.797   1.084  1.00  0.00           C  
HETATM   15  C   UNL     1       2.022  -0.414   0.627  1.00  0.00           C  
HETATM   16  C   UNL     1       2.779   0.723   1.275  1.00  0.00           C  
HETATM   17  N   UNL     1       4.098   1.053   0.710  1.00  0.00           N  
HETATM   18  C   UNL     1       4.897   2.141   1.279  1.00  0.00           C  
HETATM   19  C   UNL     1       4.561   0.343  -0.335  1.00  0.00           C  
HETATM   20  O   UNL     1       5.652   0.627  -0.791  1.00  0.00           O  
HETATM   21  N   UNL     1       3.877  -0.662  -0.896  1.00  0.00           N  
HETATM   22  C   UNL     1       2.616  -1.067  -0.447  1.00  0.00           C  
HETATM   23  C   UNL     1       1.948  -2.115  -1.066  1.00  0.00           C  
HETATM   24  C   UNL     1       0.705  -2.507  -0.607  1.00  0.00           C  
HETATM   25  H   UNL     1      -0.608   3.061  -1.967  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.715   2.214  -3.074  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.228   3.726  -2.287  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.644   0.130  -1.832  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.615   0.000   1.948  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.770   2.458   1.953  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.227  -2.754   1.742  1.00  0.00           H  
HETATM   32  H   UNL     1       0.329  -0.284   1.919  1.00  0.00           H  
HETATM   33  H   UNL     1       2.156   1.616   1.219  1.00  0.00           H  
HETATM   34  H   UNL     1       2.916   0.479   2.328  1.00  0.00           H  
HETATM   35  H   UNL     1       5.538   1.747   2.067  1.00  0.00           H  
HETATM   36  H   UNL     1       5.513   2.587   0.497  1.00  0.00           H  
HETATM   37  H   UNL     1       4.234   2.900   1.695  1.00  0.00           H  
HETATM   38  H   UNL     1       4.273  -1.130  -1.647  1.00  0.00           H  
HETATM   39  H   UNL     1       2.402  -2.628  -1.901  1.00  0.00           H  
HETATM   40  H   UNL     1       0.187  -3.323  -1.089  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    8    8    3                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3   25   26   27                                       
CONECT    5    3    3    6   28                                       
CONECT    6    7    7    5    9                                       
CONECT    7    8    6    6   29                                       
CONECT    8    2    2    7   30                                       
CONECT    9    6   11   11   12                                       
CONECT    9   10   10                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    9   13   31                                            
CONECT   13   24   12   14   14                                       
CONECT   14   13   13   15   32                                       
CONECT   15   22   22   14   16                                       
CONECT   16   15   17   33   34                                       
CONECT   17   19   16   18                                            
CONECT   18   17   35   36   37                                       
CONECT   19   21   20   20   17                                       
CONECT   20   19   19                                                 
CONECT   21   22   19   38                                            
CONECT   22   23   21   15   15                                       
CONECT   23   24   24   22   39                                       
CONECT   24   23   23   13   40                                       
CONECT   25    4                                                      
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31   12                                                      
CONECT   32   14                                                      
CONECT   33   16                                                      
CONECT   34   16                                                      
CONECT   35   18                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   21                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
