COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.140  -1.324   0.027  1.00  0.00           C  
HETATM    2  N   UNL     1       2.720   0.150  -1.470  1.00  0.00           N  
HETATM    3  O   UNL     1      -3.667  -0.433  -0.044  1.00  0.00           O  
HETATM    4  S   UNL     1       2.195   0.086   0.100  1.00  0.00           S  
HETATM    5  C   UNL     1      -1.516  -1.448  -0.007  1.00  0.00           C  
HETATM    6  O   UNL     1       2.693  -1.130   0.640  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.314  -0.313  -0.011  1.00  0.00           C  
HETATM    8  O   UNL     1       2.472   1.359   0.667  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.728   0.944   0.020  1.00  0.00           C  
HETATM   10  C   UNL     1       0.441  -0.069   0.057  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.426   0.778  -0.046  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.352   1.063   0.053  1.00  0.00           C  
HETATM   13  H   UNL     1       0.481  -2.207   0.034  1.00  0.00           H  
HETATM   14  H   UNL     1       2.081   0.101  -2.197  1.00  0.00           H  
HETATM   15  H   UNL     1       3.668   0.236  -1.661  1.00  0.00           H  
HETATM   16  H   UNL     1      -1.969  -2.428  -0.031  1.00  0.00           H  
HETATM   17  H   UNL     1      -2.347   1.829   0.016  1.00  0.00           H  
HETATM   18  H   UNL     1      -4.205   1.347   0.857  1.00  0.00           H  
HETATM   19  H   UNL     1      -4.162   1.370  -0.922  1.00  0.00           H  
HETATM   20  H   UNL     1      -5.489   0.540  -0.074  1.00  0.00           H  
HETATM   21  H   UNL     1       0.104   2.042   0.076  1.00  0.00           H  
CONECT    1    5    5   10   13                                       
CONECT    2    4   14   15                                            
CONECT    3    7   11                                                 
CONECT    4    2    6    6    8                                       
CONECT    4    8   10                                                 
CONECT    5    1    1    7   16                                       
CONECT    6    4    4                                                 
CONECT    7    3    5    9    9                                       
CONECT    8    4    4                                                 
CONECT    9    7    7   12   17                                       
CONECT   10    1    4   12   12                                       
CONECT   11    3   18   19   20                                       
CONECT   12    9   10   10   21                                       
CONECT   13    1                                                      
CONECT   14    2                                                      
CONECT   15    2                                                      
CONECT   16    5                                                      
CONECT   17    9                                                      
CONECT   18   11                                                      
CONECT   19   11                                                      
CONECT   20   11                                                      
CONECT   21   12                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
