sim/src/tests/heteroatom_organics/C_CH3_3_AlH2.pdb


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COMPND    C_CH3_3_AlH2.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1  C   LIG     1      -0.621   0.091   0.000  1.00  0.00           C  
HETATM    2  C   LIG     1      -1.144   0.812   1.258  1.00  0.00           C  
HETATM    3  C   LIG     1      -1.144   0.812  -1.258  1.00  0.00           C  
HETATM    4  C   LIG     1      -1.143  -1.364   0.000  1.00  0.00           C  
HETATM    5 AL   LIG     1       1.377   0.066   0.000  1.00  0.00          AL  
HETATM    6  H   LIG     1      -0.801   0.337   2.186  1.00  0.00           H  
HETATM    7  H   LIG     1      -0.801   0.337  -2.186  1.00  0.00           H  
HETATM    8  H   LIG     1      -0.827   1.862   1.294  1.00  0.00           H  
HETATM    9  H   LIG     1      -0.827   1.862  -1.294  1.00  0.00           H  
HETATM   10  H   LIG     1      -2.245   0.811   1.282  1.00  0.00           H  
HETATM   11  H   LIG     1      -2.245   0.811  -1.282  1.00  0.00           H  
HETATM   12  H   LIG     1      -0.821  -1.924   0.888  1.00  0.00           H  
HETATM   13  H   LIG     1      -0.821  -1.924  -0.888  1.00  0.00           H  
HETATM   14  H   LIG     1      -2.245  -1.377   0.000  1.00  0.00           H  
HETATM   15  H   LIG     1       2.191   0.036   1.370  1.00  0.00           H  
HETATM   16  H   LIG     1       2.191   0.036  -1.370  1.00  0.00           H  
CONECT    1    3    4    5    2                                       
CONECT    2    1   10    8    6                                       
CONECT    3    7    9   11    1                                       
CONECT    4   13    1   14   12                                       
CONECT    5   16    1   15                                            
CONECT    6    2                                                      
CONECT    7    3                                                      
CONECT    8    2                                                      
CONECT    9    3                                                      
CONECT   10    2                                                      
CONECT   11    3                                                      
CONECT   12    4                                                      
CONECT   13    4                                                      
CONECT   14    4                                                      
CONECT   15    5                                                      
CONECT   16    5                                                      
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END