sim/src/tests/heteroatom_organics/C5H10SiH2.pdb


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COMPND    C5H10SiH2.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1 SI   LIG     1       0.835   1.012  -0.020  1.00  0.00          SI  
HETATM    2  C   LIG     1       0.202   0.195   1.569  1.00  0.00           C  
HETATM    3  C   LIG     1       0.415  -0.225  -1.396  1.00  0.00           C  
HETATM    4  C   LIG     1      -1.192  -0.437   1.348  1.00  0.00           C  
HETATM    5  C   LIG     1      -1.252  -1.432   0.173  1.00  0.00           C  
HETATM    6  C   LIG     1      -1.008  -0.796  -1.209  1.00  0.00           C  
HETATM    7  H   LIG     1       2.298   1.308   0.042  1.00  0.00           H  
HETATM    8  H   LIG     1       0.117   2.303  -0.253  1.00  0.00           H  
HETATM    9  H   LIG     1       0.171   0.910   2.399  1.00  0.00           H  
HETATM   10  H   LIG     1       0.914  -0.590   1.863  1.00  0.00           H  
HETATM   11  H   LIG     1       1.149  -1.043  -1.356  1.00  0.00           H  
HETATM   12  H   LIG     1       0.518   0.225  -2.391  1.00  0.00           H  
HETATM   13  H   LIG     1      -1.511  -0.949   2.266  1.00  0.00           H  
HETATM   14  H   LIG     1      -1.934   0.356   1.174  1.00  0.00           H  
HETATM   15  H   LIG     1      -0.518  -2.236   0.337  1.00  0.00           H  
HETATM   16  H   LIG     1      -2.236  -1.915   0.171  1.00  0.00           H  
HETATM   17  H   LIG     1      -1.210  -1.542  -1.989  1.00  0.00           H  
HETATM   18  H   LIG     1      -1.749   0.003  -1.356  1.00  0.00           H  
CONECT    1    3    8    7    2                                       
CONECT    2    1    4   10    9                                       
CONECT    3   12   11    6    1                                       
CONECT    4    5   14    2   13                                       
CONECT    5    6   16   15    4                                       
CONECT    6   17    3   18    5                                       
CONECT    7    1                                                      
CONECT    8    1                                                      
CONECT    9    2                                                      
CONECT   10    2                                                      
CONECT   11    3                                                      
CONECT   12    3                                                      
CONECT   13    4                                                      
CONECT   14    4                                                      
CONECT   15    5                                                      
CONECT   16    5                                                      
CONECT   17    6                                                      
CONECT   18    6                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END