COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK     1      -2.111   1.800  -0.150  1.00  0.00           N  
HETATM    2  C   UNK     1      -2.117   0.364  -0.459  1.00  0.00           C  
HETATM    3  C   UNK     1      -0.905  -0.303   0.195  1.00  0.00           C  
HETATM    4  C   UNK     1      -3.382  -0.259   0.072  1.00  0.00           C  
HETATM    5  O   UNK     1      -4.012   0.300   0.938  1.00  0.00           O  
HETATM    6  S   UNK     1       0.617   0.447  -0.445  1.00  0.00           S  
HETATM    7  O   UNK     1       4.376  -0.517   0.193  1.00  0.00           O  
HETATM    8  C   UNK     1       3.248   0.210   0.195  1.00  0.00           C  
HETATM    9  O   UNK     1       3.297   1.402   0.006  1.00  0.00           O  
HETATM   10  C   UNK     1       1.919  -0.461   0.433  1.00  0.00           C  
HETATM   11  O   UNK     1       1.971  -1.805  -0.050  1.00  0.00           O  
HETATM   12  H   UNK     1      -2.865   2.275  -0.623  1.00  0.00           H  
HETATM   13  H   UNK     1      -2.154   1.956   0.846  1.00  0.00           H  
HETATM   14  H   UNK     1      -2.069   0.225  -1.539  1.00  0.00           H  
HETATM   15  H   UNK     1      -0.953  -0.164   1.275  1.00  0.00           H  
HETATM   16  H   UNK     1      -0.910  -1.369  -0.035  1.00  0.00           H  
HETATM   17  H   UNK     1       5.204  -0.043   0.036  1.00  0.00           H  
HETATM   18  H   UNK     1       1.702  -0.467   1.501  1.00  0.00           H  
HETATM   19  H   UNK     1       2.162  -1.877  -0.995  1.00  0.00           H  
HETATM   20  O   UNK     1      -3.808  -1.434  -0.417  1.00  0.00           O  
HETATM   21  H   UNK     1      -4.624  -1.794  -0.045  1.00  0.00           H  
CONECT    1    2   12   13                                            
CONECT    2    3    4    1   14                                       
CONECT    3    6    2   15   16                                       
CONECT    4    2    5    5   20                                       
CONECT    5    4    4                                                 
CONECT    6   10    3                                                 
CONECT    7    8   17                                                 
CONECT    8    9    9    7   10                                       
CONECT    9    8    8                                                 
CONECT   10    8    6   11   18                                       
CONECT   11   10   19                                                 
CONECT   12    1                                                      
CONECT   13    1                                                      
CONECT   14    2                                                      
CONECT   15    3                                                      
CONECT   16    3                                                      
CONECT   17    7                                                      
CONECT   18   10                                                      
CONECT   19   11                                                      
CONECT   20    4   21                                                 
CONECT   21   20                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
