sim/src/tests/heteroatom_organics/CH3SiH3.pdb


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COMPND    CH3SiH3.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1 SI   LIG     1      -0.521  -0.010   0.511  1.00  0.00          SI  
HETATM    2  C   LIG     1       0.844  -0.305  -0.763  1.00  0.00           C  
HETATM    3  H   LIG     1      -0.371   1.331   1.146  1.00  0.00           H  
HETATM    4  H   LIG     1      -0.472  -1.040   1.588  1.00  0.00           H  
HETATM    5  H   LIG     1      -1.866  -0.072  -0.129  1.00  0.00           H  
HETATM    6  H   LIG     1       0.742  -1.293  -1.223  1.00  0.00           H  
HETATM    7  H   LIG     1       1.832  -0.249  -0.297  1.00  0.00           H  
HETATM    8  H   LIG     1       0.801   0.444  -1.560  1.00  0.00           H  
CONECT    1    2    5    3    4                                       
CONECT    2    8    6    7    1                                       
CONECT    3    1                                                      
CONECT    4    1                                                      
CONECT    5    1                                                      
CONECT    6    2                                                      
CONECT    7    2                                                      
CONECT    8    2                                                      
MASTER        0    0    0    0    0    0    0    0    8    0    8    0
END