sim/src/tests/heteroatom_organics/CH3AlH2.pdb


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COMPND    CH3AlH2.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1 AL   LIG     1      -0.641   0.032   0.549  1.00  0.00          AL  
HETATM    2  C   LIG     1       0.794  -0.267  -0.759  1.00  0.00           C  
HETATM    3  H   LIG     1      -0.572   1.283   1.532  1.00  0.00           H  
HETATM    4  H   LIG     1      -1.890  -0.948   0.658  1.00  0.00           H  
HETATM    5  H   LIG     1       0.631  -1.156  -1.376  1.00  0.00           H  
HETATM    6  H   LIG     1       1.767  -0.378  -0.263  1.00  0.00           H  
HETATM    7  H   LIG     1       0.894   0.594  -1.434  1.00  0.00           H  
CONECT    1    2    4    3                                            
CONECT    2    7    5    6    1                                       
CONECT    3    1                                                      
CONECT    4    1                                                      
CONECT    5    2                                                      
CONECT    6    2                                                      
CONECT    7    2                                                      
MASTER        0    0    0    0    0    0    0    0    7    0    7    0
END