sim/src/tests/heteroatom_organics/CH3OH.pdb


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COMPND    CH3OH.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1  O   LIG     1      -0.777   0.475   0.000  1.00  0.00           O  
HETATM    2  C   LIG     1       0.416  -0.292  -0.000  1.00  0.00           C  
HETATM    3  H   LIG     1      -0.531   1.408  -0.000  1.00  0.00           H  
HETATM    4  H   LIG     1       0.118  -1.344   0.000  1.00  0.00           H  
HETATM    5  H   LIG     1       1.037  -0.116   0.892  1.00  0.00           H  
HETATM    6  H   LIG     1       1.037  -0.116  -0.892  1.00  0.00           H  
CONECT    1    3    2                                                 
CONECT    2    6    4    1    5                                       
CONECT    3    1                                                      
CONECT    4    2                                                      
CONECT    5    2                                                      
CONECT    6    2                                                      
MASTER        0    0    0    0    0    0    0    0    6    0    6    0
END