COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.358   9.476  83.922  1.00  0.00           C  
HETATM    2  B   UNL     1       1.102   8.543  84.342  1.00  0.00           B  
HETATM    3  B   UNL     1       0.458   8.518  82.664  1.00  0.00           B  
HETATM    4  B   UNL     1       0.589   7.068  85.154  1.00  0.00           B  
HETATM    5  B   UNL     1       1.032   7.024  83.429  1.00  0.00           B  
HETATM    6  B   UNL     1      -0.292   8.580  85.447  1.00  0.00           B  
HETATM    7  B   UNL     1      -1.129   7.125  85.134  1.00  0.00           B  
HETATM    8  B   UNL     1      -1.778   8.564  84.477  1.00  0.00           B  
HETATM    9  B   UNL     1      -1.325   8.530  82.761  1.00  0.00           B  
HETATM   10  B   UNL     1      -1.842   7.050  83.570  1.00  0.00           B  
HETATM   11  B   UNL     1      -0.460   7.004  82.463  1.00  0.00           B  
HETATM   12  C   UNL     1      -0.370   6.224  83.980  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.317   4.726  83.856  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.261   3.862  84.657  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.703   3.602  86.013  1.00  0.00           C  
HETATM   16  S   UNL     1      -1.633   2.344  86.947  1.00  0.00           S  
HETATM   17  O   UNL     1      -1.167   2.484  88.348  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.090   2.616  86.751  1.00  0.00           O  
HETATM   19  N   UNL     1      -1.318   0.891  86.436  1.00  0.00           N  
HETATM   20  H   UNL     1      -2.228   4.377  84.756  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.407   2.905  84.135  1.00  0.00           H  
HETATM   22  H   UNL     1       0.336   3.258  85.903  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.719   4.543  86.583  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.844   0.228  86.969  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.568   0.816  85.471  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.494   4.490  82.796  1.00  0.00           H  
HETATM   27  H   UNL     1       0.703   4.422  84.134  1.00  0.00           H  
CONECT    1    6    8    2    3                                       
CONECT    1    9                                                      
CONECT    2    4    5    6    1                                       
CONECT    2    3                                                      
CONECT    3    5    9   11    1                                       
CONECT    3    2                                                      
CONECT    4    2    5    6    7                                       
CONECT    4   12                                                      
CONECT    5    2    3    4   11                                       
CONECT    5   12                                                      
CONECT    6    2    4    7    8                                       
CONECT    6    1                                                      
CONECT    7    4    6    8   10                                       
CONECT    7   12                                                      
CONECT    8    6    7    9   10                                       
CONECT    8    1                                                      
CONECT    9    3    8   10   11                                       
CONECT    9    1                                                      
CONECT   10    7    8    9   11                                       
CONECT   10   12                                                      
CONECT   11    3    5    9   10                                       
CONECT   11   12                                                      
CONECT   12    4    5    7   10                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   26   27                                       
CONECT   14   13   15   20   21                                       
CONECT   15   14   16   22   23                                       
CONECT   16   15   17   17   18                                       
CONECT   16   18   19                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19   16   24   25                                            
CONECT   20   14                                                      
CONECT   21   14                                                      
CONECT   22   15                                                      
CONECT   23   15                                                      
CONECT   24   19                                                      
CONECT   25   19                                                      
CONECT   26   13                                                      
CONECT   27   13                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
