COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.408   1.983   0.237  1.00  0.00           C  
HETATM    2  C   UNL     1       5.374   2.950   0.662  1.00  0.00           C  
HETATM    3  C   UNL     1       4.248   0.791   0.947  1.00  0.00           C  
HETATM    4  C   UNL     1       3.316  -0.135   0.531  1.00  0.00           C  
HETATM    5  C   UNL     1       3.920  -2.539   0.598  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.237  -0.472  -0.637  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.247   0.715  -1.169  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.390   2.275  -0.273  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.145  -0.057   0.212  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.955  -0.226   1.013  1.00  0.00           C  
HETATM   11  F   UNL     1      -4.861  -1.224   0.930  1.00  0.00           F  
HETATM   12  F   UNL     1      -5.147  -0.341  -1.158  1.00  0.00           F  
HETATM   13  F   UNL     1      -6.402   0.428   0.589  1.00  0.00           F  
HETATM   14  C   UNL     1      -4.079   0.999   0.512  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.077   1.289   1.911  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.726   0.476   0.105  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.713  -0.705   0.640  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.003   0.241  -1.540  1.00  0.00           C  
HETATM   19  S   UNL     1       1.349  -1.077  -1.110  1.00  0.00           S  
HETATM   20  O   UNL     1       1.581  -2.244  -0.334  1.00  0.00           O  
HETATM   21  O   UNL     1       1.373  -1.070  -2.531  1.00  0.00           O  
HETATM   22  C   UNL     1       2.539   0.113  -0.586  1.00  0.00           C  
HETATM   23  C   UNL     1       2.691   1.292  -1.294  1.00  0.00           C  
HETATM   24  C   UNL     1       3.616   2.230  -0.887  1.00  0.00           C  
HETATM   25  N   UNL     1       6.141   3.717   1.000  1.00  0.00           N  
HETATM   26  C   UNL     1       3.142  -1.422   1.296  1.00  0.00           C  
HETATM   27  F   UNL     1       3.659  -3.758   1.234  1.00  0.00           F  
HETATM   28  H   UNL     1       4.855   0.596   1.819  1.00  0.00           H  
HETATM   29  H   UNL     1       3.611  -2.601  -0.445  1.00  0.00           H  
HETATM   30  H   UNL     1       4.988  -2.325   0.649  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.845   1.273  -1.875  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.392   2.053  -1.340  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.369   2.653   0.021  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.631   3.027  -0.059  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.329  -0.413   2.009  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.887   0.524   2.471  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.115  -1.263   1.346  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.629   0.427  -2.536  1.00  0.00           H  
HETATM   39  H   UNL     1       2.082   1.479  -2.166  1.00  0.00           H  
HETATM   40  H   UNL     1       3.734   3.150  -1.440  1.00  0.00           H  
HETATM   41  H   UNL     1       3.520  -1.296   2.311  1.00  0.00           H  
HETATM   42  H   UNL     1       2.085  -1.684   1.332  1.00  0.00           H  
CONECT    1   24   24    3    2                                       
CONECT    2    1   25   25   25                                       
CONECT    3    4    4    1   28                                       
CONECT    4   22   26    3    3                                       
CONECT    5   26   27   29   30                                       
CONECT    6   17   17   18   19                                       
CONECT    7   16   18   18   31                                       
CONECT    8   14   32   33   34                                       
CONECT    9   14   11   12   13                                       
CONECT   10   16   16   17   35                                       
CONECT   11    9                                                      
CONECT   12    9                                                      
CONECT   13    9                                                      
CONECT   14   15    8   16    9                                       
CONECT   15   14   36                                                 
CONECT   16   14   10   10    7                                       
CONECT   17   10    6    6   37                                       
CONECT   18    7    7    6   38                                       
CONECT   19   21   21    6   22                                       
CONECT   19   20   20                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   19   23   23    4                                       
CONECT   23   22   22   24   39                                       
CONECT   24   23    1    1   40                                       
CONECT   25    2    2    2                                            
CONECT   26    4    5   41   42                                       
CONECT   27    5                                                      
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
CONECT   41   26                                                      
CONECT   42   26                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
