COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.918   0.227   0.955  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.646   0.710   0.733  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.418   1.615  -0.311  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.067   2.135  -0.555  1.00  0.00           C  
HETATM    5  C   UNL     1       1.003   1.289  -0.536  1.00  0.00           C  
HETATM    6  C   UNL     1       0.961  -0.188  -0.512  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.076  -1.114  -0.504  1.00  0.00           C  
HETATM    8  C   UNL     1       0.208  -2.464  -0.481  1.00  0.00           C  
HETATM    9  C   UNL     1       1.525  -2.905  -0.467  1.00  0.00           C  
HETATM   10  F   UNL     1       1.787  -4.230  -0.444  1.00  0.00           F  
HETATM   11  C   UNL     1       2.569  -2.001  -0.475  1.00  0.00           C  
HETATM   12  C   UNL     1       2.301  -0.630  -0.498  1.00  0.00           C  
HETATM   13  C   UNL     1       3.170   0.550  -0.512  1.00  0.00           C  
HETATM   14  C   UNL     1       4.676   0.517  -0.503  1.00  0.00           C  
HETATM   15  C   UNL     1       5.168   0.405   0.917  1.00  0.00           C  
HETATM   16  O   UNL     1       4.376   0.357   1.829  1.00  0.00           O  
HETATM   17  O   UNL     1       6.485   0.358   1.170  1.00  0.00           O  
HETATM   18  C   UNL     1       2.422   1.669  -0.540  1.00  0.00           C  
HETATM   19  C   UNL     1       2.953   3.079  -0.567  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.486   2.021  -1.121  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.751   1.527  -0.886  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.967   0.629   0.146  1.00  0.00           C  
HETATM   23  S   UNL     1      -5.588   0.004   0.438  1.00  0.00           S  
HETATM   24  O   UNL     1      -5.543  -0.374   1.807  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.645  -1.484  -0.598  1.00  0.00           C  
HETATM   26  H   UNL     1      -3.096  -0.471   1.760  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.828   0.393   1.363  1.00  0.00           H  
HETATM   28  H   UNL     1       0.079   3.187  -0.750  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.102  -0.777  -0.515  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.598  -3.182  -0.475  1.00  0.00           H  
HETATM   31  H   UNL     1       3.589  -2.354  -0.464  1.00  0.00           H  
HETATM   32  H   UNL     1       5.024  -0.343  -1.077  1.00  0.00           H  
HETATM   33  H   UNL     1       5.063   1.432  -0.950  1.00  0.00           H  
HETATM   34  H   UNL     1       3.560   3.256   0.320  1.00  0.00           H  
HETATM   35  H   UNL     1       3.563   3.220  -1.459  1.00  0.00           H  
HETATM   36  H   UNL     1       2.119   3.781  -0.583  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.319   2.718  -1.929  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.576   1.839  -1.509  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.866  -2.177  -0.282  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.620  -1.961  -0.495  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.485  -1.207  -1.640  1.00  0.00           H  
HETATM   42  H   UNL     1       6.753   0.286   2.096  1.00  0.00           H  
CONECT    1   26    2   22   22                                       
CONECT    2    1   27    3    3                                       
CONECT    3    2    2    4   20                                       
CONECT    4    3    5    5   28                                       
CONECT    5    4    4   18    6                                       
CONECT    6    5    7   12   12                                       
CONECT    7    6    8    8   29                                       
CONECT    8    7    7   30    9                                       
CONECT    9    8   10   11   11                                       
CONECT   10    9                                                      
CONECT   11    9    9   31   12                                       
CONECT   12    6    6   11   13                                       
CONECT   13   12   14   18   18                                       
CONECT   14   13   32   33   15                                       
CONECT   15   14   17   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   15   42                                                 
CONECT   18    5   13   13   19                                       
CONECT   19   18   36   34   35                                       
CONECT   20    3   21   21   37                                       
CONECT   21   20   20   22   38                                       
CONECT   22   21    1    1   23                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   39   40   41                                       
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    4                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31   11                                                      
CONECT   32   14                                                      
CONECT   33   14                                                      
CONECT   34   19                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   25                                                      
CONECT   40   25                                                      
CONECT   41   25                                                      
CONECT   42   17                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
