COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.068   1.145  -0.027  1.00  0.00           O  
HETATM    2  C   UNL     1       2.913   2.124   0.209  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.531   2.693  -0.049  1.00  0.00           O  
HETATM    4  C   UNL     1       1.542   1.992   0.203  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.524   0.642  -0.028  1.00  0.00           C  
HETATM    6  C   UNL     1       0.954   0.752  -0.048  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.345   1.762  -0.044  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.721   1.601  -0.023  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.277   0.325   0.025  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.455  -0.794   0.060  1.00  0.00           C  
HETATM   11  O   UNL     1       1.255  -1.571  -0.663  1.00  0.00           O  
HETATM   12  C   UNL     1       1.756  -0.353  -0.338  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.591  -3.044  -0.673  1.00  0.00           O  
HETATM   14  O   UNL     1      -4.629   0.175   0.038  1.00  0.00           O  
HETATM   15  O   UNL     1       0.395  -2.169   1.453  1.00  0.00           O  
HETATM   16  S   UNL     1       0.010  -2.010   0.095  1.00  0.00           S  
HETATM   17  C   UNL     1       3.140  -0.210  -0.317  1.00  0.00           C  
HETATM   18  C   UNL     1       3.715   1.019  -0.043  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.092  -0.634   0.039  1.00  0.00           C  
HETATM   20  H   UNL     1       5.467   0.989   0.840  1.00  0.00           H  
HETATM   21  H   UNL     1       3.364   3.086   0.406  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.775   2.980  -0.940  1.00  0.00           H  
HETATM   23  H   UNL     1       0.919   2.853   0.394  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.914   2.752  -0.072  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.886  -1.784   0.103  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.025   0.101  -0.841  1.00  0.00           H  
HETATM   27  H   UNL     1       3.770  -1.064  -0.516  1.00  0.00           H  
CONECT    1   18   20                                                 
CONECT    2    4    4   18   21                                       
CONECT    3    8   22                                                 
CONECT    4    6    2    2   23                                       
CONECT    5    7    7   19    6                                       
CONECT    6    5    4   12   12                                       
CONECT    7    8    5    5   24                                       
CONECT    8    9    9    3    7                                       
CONECT    9   10   14    8    8                                       
CONECT   10   19   19    9   25                                       
CONECT   11   12   16                                                 
CONECT   12    6    6   17   11                                       
CONECT   13   16   16                                                 
CONECT   14    9   26                                                 
CONECT   15   16   16                                                 
CONECT   16   13   13   19   11                                       
CONECT   16   15   15                                                 
CONECT   17   18   18   12   27                                       
CONECT   18    2    1   17   17                                       
CONECT   19   16   10   10    5                                       
CONECT   20    1                                                      
CONECT   21    2                                                      
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    7                                                      
CONECT   25   10                                                      
CONECT   26   14                                                      
CONECT   27   17                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
