path: root/sim/src/tests/heteroatom_organics/C3H6SiH2.pdb

COMPND    C3H6SiH2.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1 SI   LIG     1       0.282   1.026  -0.083  1.00  0.00          SI  
HETATM    2  C   LIG     1      -0.127  -0.436  -1.242  1.00  0.00           C  
HETATM    3  C   LIG     1      -0.024  -0.379   1.171  1.00  0.00           C  
HETATM    4  C   LIG     1      -0.737  -1.152   0.011  1.00  0.00           C  
HETATM    5  H   LIG     1      -0.765   2.089  -0.064  1.00  0.00           H  
HETATM    6  H   LIG     1       1.618   1.691  -0.155  1.00  0.00           H  
HETATM    7  H   LIG     1       0.782  -0.943  -1.585  1.00  0.00           H  
HETATM    8  H   LIG     1      -0.797  -0.314  -2.095  1.00  0.00           H  
HETATM    9  H   LIG     1       0.912  -0.869   1.462  1.00  0.00           H  
HETATM   10  H   LIG     1      -0.619  -0.214   2.073  1.00  0.00           H  
HETATM   11  H   LIG     1      -1.815  -0.958   0.054  1.00  0.00           H  
HETATM   12  H   LIG     1      -0.598  -2.239   0.031  1.00  0.00           H  
CONECT    1    2    6    5    3                                       
CONECT    2    8    7    1    4                                       
CONECT    3    1    4    9   10                                       
CONECT    4    2   12   11    3                                       
CONECT    5    1                                                      
CONECT    6    1                                                      
CONECT    7    2                                                      
CONECT    8    2                                                      
CONECT    9    3                                                      
CONECT   10    3                                                      
CONECT   11    4                                                      
CONECT   12    4                                                      
MASTER        0    0    0    0    0    0    0    0   12    0   12    0
END