COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.007   2.257   0.577  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.604  -1.118  -1.047  1.00  0.00           C  
HETATM    3  C   UNL     1       2.274   1.767   0.255  1.00  0.00           C  
HETATM    4  C   UNL     1       3.667  -0.203  -0.194  1.00  0.00           C  
HETATM    5  C   UNL     1       5.083   0.300  -0.487  1.00  0.00           C  
HETATM    6  C   UNL     1       3.650  -1.524  -0.279  1.00  0.00           C  
HETATM    7  C   UNL     1       1.392  -0.389   0.311  1.00  0.00           C  
HETATM    8  C   UNL     1       5.012  -2.085  -0.623  1.00  0.00           C  
HETATM    9  C   UNL     1       5.993  -0.933  -0.319  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.036   0.363   0.001  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.914   0.078  -1.036  1.00  0.00           C  
HETATM   12  N   UNL     1       2.462   0.421   0.122  1.00  0.00           N  
HETATM   13  N   UNL     1       0.190   0.071   0.610  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.034   1.371   0.755  1.00  0.00           C  
HETATM   15  F   UNL     1      -5.101  -3.201  -0.034  1.00  0.00           F  
HETATM   16  C   UNL     1      -4.421  -2.033  -0.024  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.542  -1.754   1.009  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.846  -0.561   1.020  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.336   1.574   0.014  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.529   2.543  -1.068  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.671   3.493  -0.703  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.410   1.873   1.109  1.00  0.00           C  
HETATM   23  O   UNL     1       3.208   2.536   0.094  1.00  0.00           O  
HETATM   24  S   UNL     1       1.989  -2.037   0.064  1.00  0.00           S  
HETATM   25  H   UNL     1       0.845   3.319   0.690  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.290  -1.338  -1.852  1.00  0.00           H  
HETATM   27  H   UNL     1       5.146   0.680  -1.506  1.00  0.00           H  
HETATM   28  H   UNL     1       5.362   1.077   0.224  1.00  0.00           H  
HETATM   29  H   UNL     1       5.235  -2.950   0.002  1.00  0.00           H  
HETATM   30  H   UNL     1       5.056  -2.356  -1.677  1.00  0.00           H  
HETATM   31  H   UNL     1       6.811  -0.916  -1.039  1.00  0.00           H  
HETATM   32  H   UNL     1       6.373  -1.002   0.701  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.057   0.792  -1.835  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.401  -2.469   1.806  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.163  -0.342   1.828  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.612   3.114  -1.211  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.776   2.014  -1.989  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.588   2.922  -0.560  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.424   4.021   0.218  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.814   4.214  -1.508  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.753   1.381   2.020  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.374   2.950   1.270  1.00  0.00           H  
CONECT    1    3   14   14   25                                       
CONECT    2   11   16   16   26                                       
CONECT    3   23   23   12    1                                       
CONECT    4    5    6    6   12                                       
CONECT    5    9    4   27   28                                       
CONECT    6    8    4    4   24                                       
CONECT    7   12   24   13   13                                       
CONECT    8    9    6   29   30                                       
CONECT    9    5    8   31   32                                       
CONECT   10   19   11   11   18                                       
CONECT   11   10   10    2   33                                       
CONECT   12    4    3    7                                            
CONECT   13    7    7   14                                            
CONECT   14    1    1   13   22                                       
CONECT   15   16                                                      
CONECT   16    2    2   17   15                                       
CONECT   17   18   18   16   34                                       
CONECT   18   10   17   17   35                                       
CONECT   19   20   22   10                                            
CONECT   20   21   19   36   37                                       
CONECT   21   20   38   39   40                                       
CONECT   22   14   19   41   42                                       
CONECT   23    3    3                                                 
CONECT   24    6    7                                                 
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   20                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
