COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.795   0.844  -0.001  1.00  0.00           C  
HETATM    2  C   UNL     1       1.500  -1.467   0.003  1.00  0.00           C  
HETATM    3  C   UNL     1       1.818  -0.102   0.001  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.963  -0.135  -0.001  1.00  0.00           C  
HETATM    5  C   UNL     1       3.228   0.331  -0.001  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.339  -0.202   0.000  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.849  -0.932  -0.004  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.530   0.432  -0.001  1.00  0.00           C  
HETATM    9  C   UNL     1       0.205  -1.874   0.003  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.175  -1.157  -0.004  1.00  0.00           N  
HETATM   11  S   UNL     1      -2.030   1.356   0.003  1.00  0.00           S  
HETATM   12  O   UNL     1       3.500   1.516  -0.002  1.00  0.00           O  
HETATM   13  N   UNL     1       4.214  -0.588   0.001  1.00  0.00           N  
HETATM   14  H   UNL     1       1.033   1.898   0.001  1.00  0.00           H  
HETATM   15  H   UNL     1       2.292  -2.201   0.009  1.00  0.00           H  
HETATM   16  H   UNL     1      -4.865   0.613   0.003  1.00  0.00           H  
HETATM   17  H   UNL     1      -4.782  -1.065  -0.002  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.022  -2.930   0.005  1.00  0.00           H  
HETATM   19  H   UNL     1       3.997  -1.533   0.002  1.00  0.00           H  
HETATM   20  H   UNL     1       5.142  -0.303   0.000  1.00  0.00           H  
CONECT    1    3    3    8   14                                       
CONECT    2    9    9    3   15                                       
CONECT    3    2    5    1    1                                       
CONECT    4   10   10    6   11                                       
CONECT    5   13    3   12   12                                       
CONECT    6    4   16   17                                            
CONECT    7    9   10    8    8                                       
CONECT    8    7    7    1   11                                       
CONECT    9    2    2    7   18                                       
CONECT   10    7    4    4                                            
CONECT   11    8    4                                                 
CONECT   12    5    5                                                 
CONECT   13    5   19   20                                            
CONECT   14    1                                                      
CONECT   15    2                                                      
CONECT   16    6                                                      
CONECT   17    6                                                      
CONECT   18    9                                                      
CONECT   19   13                                                      
CONECT   20   13                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
