sim/src/tests/heteroatom_organics/CH3OCH3.pdb


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COMPND    CH3OCH3.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1  O   LIG     1       0.769   0.819  -0.003  1.00  0.00           O  
HETATM    2  C   LIG     1       0.421   0.186   1.208  1.00  0.00           C  
HETATM    3  C   LIG     1      -0.010   0.365  -1.088  1.00  0.00           C  
HETATM    4  H   LIG     1       0.561  -0.906   1.157  1.00  0.00           H  
HETATM    5  H   LIG     1      -0.627   0.383   1.490  1.00  0.00           H  
HETATM    6  H   LIG     1       1.073   0.589   1.987  1.00  0.00           H  
HETATM    7  H   LIG     1      -1.083   0.569  -0.934  1.00  0.00           H  
HETATM    8  H   LIG     1       0.110  -0.718  -1.256  1.00  0.00           H  
HETATM    9  H   LIG     1       0.326   0.901  -1.979  1.00  0.00           H  
CONECT    1    3    2                                                 
CONECT    2    1    4    5    6                                       
CONECT    3    9    8    7    1                                       
CONECT    4    2                                                      
CONECT    5    2                                                      
CONECT    6    2                                                      
CONECT    7    3                                                      
CONECT    8    3                                                      
CONECT    9    3                                                      
MASTER        0    0    0    0    0    0    0    0    9    0    9    0
END