COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.679  -2.483  -0.610  1.00  0.00           O  
HETATM    2  N   UNL     1      -0.351  -2.291   0.010  1.00  0.00           N1+
HETATM    3  O   UNL     1      -0.867  -3.203   0.632  1.00  0.00           O1-
HETATM    4  C   UNL     1      -0.974  -0.948   0.012  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.349  -0.824  -0.019  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.931   0.431  -0.017  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.432   0.562  -0.051  1.00  0.00           C  
HETATM    8  F   UNL     1      -4.927   0.587   1.257  1.00  0.00           F  
HETATM    9  F   UNL     1      -4.782   1.749  -0.705  1.00  0.00           F  
HETATM   10  F   UNL     1      -4.981  -0.527  -0.736  1.00  0.00           F  
HETATM   11  C   UNL     1      -0.176   0.188   0.050  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.764   1.446   0.052  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.140   1.564   0.015  1.00  0.00           C  
HETATM   14  N   UNL     1       1.215   0.066   0.088  1.00  0.00           N  
HETATM   15  C   UNL     1       2.058   1.261  -0.001  1.00  0.00           C  
HETATM   16  C   UNL     1       3.509   0.858   0.062  1.00  0.00           C  
HETATM   17  C   UNL     1       4.221   0.568  -1.028  1.00  0.00           C  
HETATM   18  S   UNL     1       5.864   0.144  -0.564  1.00  0.00           S  
HETATM   19  C   UNL     1       5.479   0.391   1.135  1.00  0.00           C  
HETATM   20  C   UNL     1       4.205   0.766   1.255  1.00  0.00           C  
HETATM   21  H   UNL     1      -2.970  -1.707  -0.044  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.147   2.332   0.082  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.598   2.542   0.016  1.00  0.00           H  
HETATM   24  H   UNL     1       1.623  -0.810   0.172  1.00  0.00           H  
HETATM   25  H   UNL     1       1.864   1.773  -0.943  1.00  0.00           H  
HETATM   26  H   UNL     1       1.830   1.929   0.830  1.00  0.00           H  
HETATM   27  H   UNL     1       3.846   0.590  -2.041  1.00  0.00           H  
HETATM   28  H   UNL     1       6.171   0.263   1.954  1.00  0.00           H  
HETATM   29  H   UNL     1       3.749   0.977   2.211  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2                                                      
CONECT    4    2    5    5   11                                       
CONECT    5    4    4    6   21                                       
CONECT    6    5    7   13   13                                       
CONECT    7    6    8    9   10                                       
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    7                                                      
CONECT   11    4   12   12   14                                       
CONECT   12   11   11   13   22                                       
CONECT   13    6    6   12   23                                       
CONECT   14   11   15   24                                            
CONECT   15   14   16   25   26                                       
CONECT   16   15   17   17   20                                       
CONECT   17   16   16   18   27                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   20   28                                       
CONECT   20   16   19   19   29                                       
CONECT   21    5                                                      
CONECT   22   12                                                      
CONECT   23   13                                                      
CONECT   24   14                                                      
CONECT   25   15                                                      
CONECT   26   15                                                      
CONECT   27   17                                                      
CONECT   28   19                                                      
CONECT   29   20                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
