sim/src/tests/heteroatom_organics/CH3SiH2CH3.pdb


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COMPND    CH3SiH2CH3.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1 SI   LIG     1       0.289   0.657   0.013  1.00  0.00          SI  
HETATM    2  C   LIG     1       0.933  -1.103   0.287  1.00  0.00           C  
HETATM    3  C   LIG     1      -1.599   0.732   0.090  1.00  0.00           C  
HETATM    4  H   LIG     1       0.755   1.154  -1.317  1.00  0.00           H  
HETATM    5  H   LIG     1       0.867   1.564   1.051  1.00  0.00           H  
HETATM    6  H   LIG     1       0.553  -1.783  -0.484  1.00  0.00           H  
HETATM    7  H   LIG     1       0.625  -1.493   1.262  1.00  0.00           H  
HETATM    8  H   LIG     1       2.026  -1.123   0.244  1.00  0.00           H  
HETATM    9  H   LIG     1      -2.050   0.119  -0.697  1.00  0.00           H  
HETATM   10  H   LIG     1      -1.959   1.758  -0.038  1.00  0.00           H  
HETATM   11  H   LIG     1      -1.968   0.365   1.053  1.00  0.00           H  
CONECT    1    4    3    2    5                                       
CONECT    2    6    1    8    7                                       
CONECT    3    9   10    1   11                                       
CONECT    4    1                                                      
CONECT    5    1                                                      
CONECT    6    2                                                      
CONECT    7    2                                                      
CONECT    8    2                                                      
CONECT    9    3                                                      
CONECT   10    3                                                      
CONECT   11    3                                                      
MASTER        0    0    0    0    0    0    0    0   11    0   11    0
END