sim/src/tests/heteroatom_organics/C3H6PH.pdb


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COMPND    C3H6PH.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1  P   LIG     1       0.226   1.418  -0.093  1.00  0.00           P  
HETATM    2  C   LIG     1       0.443  -0.215  -1.052  1.00  0.00           C  
HETATM    3  C   LIG     1      -0.240   0.042   1.142  1.00  0.00           C  
HETATM    4  C   LIG     1      -0.418  -0.970  -0.014  1.00  0.00           C  
HETATM    5  H   LIG     1      -1.114   1.646  -0.536  1.00  0.00           H  
HETATM    6  H   LIG     1       1.497  -0.510  -1.006  1.00  0.00           H  
HETATM    7  H   LIG     1       0.121  -0.239  -2.096  1.00  0.00           H  
HETATM    8  H   LIG     1       0.635  -0.185   1.760  1.00  0.00           H  
HETATM    9  H   LIG     1      -1.095   0.215   1.799  1.00  0.00           H  
HETATM   10  H   LIG     1      -1.465  -0.992  -0.337  1.00  0.00           H  
HETATM   11  H   LIG     1      -0.115  -2.004   0.200  1.00  0.00           H  
CONECT    1    2    5    3                                            
CONECT    2    7    6    1    4                                       
CONECT    3    1    4    8    9                                       
CONECT    4    2   10   11    3                                       
CONECT    5    1                                                      
CONECT    6    2                                                      
CONECT    7    2                                                      
CONECT    8    3                                                      
CONECT    9    3                                                      
CONECT   10    4                                                      
CONECT   11    4                                                      
MASTER        0    0    0    0    0    0    0    0   11    0   11    0
END