COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.242  -1.240   0.001  1.00  0.00           O  
HETATM    2  C   UNL     1       2.719  -0.142   0.001  1.00  0.00           C  
HETATM    3  OXT UNL     1       3.483   0.970  -0.004  1.00  0.00           O  
HETATM    4  CA  UNL     1       1.261  -0.027   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       0.370  -1.076   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.926  -0.531   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.812   0.847  -0.001  1.00  0.00           C  
HETATM    8  N   UNL     1       0.544   1.152   0.006  1.00  0.00           N  
HETATM    9  S   UNL     1      -2.628  -0.982  -0.001  1.00  0.00           S  
HETATM   10  C   UNL     1      -3.116   0.705  -0.001  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.050   1.497  -0.001  1.00  0.00           C  
HETATM   12  HXT UNL     1       4.434   0.794  -0.008  1.00  0.00           H  
HETATM   13  H   UNL     1       0.621  -2.126   0.001  1.00  0.00           H  
HETATM   14  H   UNL     1       0.923   2.045   0.011  1.00  0.00           H  
HETATM   15  H   UNL     1      -2.134   2.574  -0.001  1.00  0.00           H  
HETATM   16  H   UNL     1      -4.140   1.049  -0.002  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   12                                                 
CONECT    4    2    5    5    8                                       
CONECT    5    4    4    6   13                                       
CONECT    6    5    7    7    9                                       
CONECT    7    6    6    8   11                                       
CONECT    8    4    7   14                                            
CONECT    9    6   10                                                 
CONECT   10    9   11   11   16                                       
CONECT   11    7   10   10   15                                       
CONECT   12    3                                                      
CONECT   13    5                                                      
CONECT   14    8                                                      
CONECT   15   11                                                      
CONECT   16   10                                                      
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END
