sim/src/tests/heteroatom_organics/CH3PH2.pdb


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COMPND    CH3PH2.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1  P   LIG     1      -1.231   0.083   0.523  1.00  0.00           P  
HETATM    2  C   LIG     1       0.151  -0.207  -0.713  1.00  0.00           C  
HETATM    3  H   LIG     1      -0.688   1.243   1.148  1.00  0.00           H  
HETATM    4  H   LIG     1      -0.755  -0.790   1.545  1.00  0.00           H  
HETATM    5  H   LIG     1       0.015  -1.192  -1.167  1.00  0.00           H  
HETATM    6  H   LIG     1       1.150  -0.153  -0.275  1.00  0.00           H  
HETATM    7  H   LIG     1       0.071   0.538  -1.509  1.00  0.00           H  
CONECT    1    2    3    4                                            
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