sim/src/tests/heteroatom_organics/C4H8PH.pdb


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COMPND    C4H8PH.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1  P   LIG     1       0.463   1.834   0.094  1.00  0.00           P  
HETATM    2  C   LIG     1       1.287   0.117   0.050  1.00  0.00           C  
HETATM    3  C   LIG     1      -1.254   1.073   0.278  1.00  0.00           C  
HETATM    4  C   LIG     1      -1.152  -0.377  -0.221  1.00  0.00           C  
HETATM    5  C   LIG     1       0.181  -0.933   0.303  1.00  0.00           C  
HETATM    6  H   LIG     1       0.397   2.023  -1.320  1.00  0.00           H  
HETATM    7  H   LIG     1       2.074   0.063   0.806  1.00  0.00           H  
HETATM    8  H   LIG     1       1.764  -0.027  -0.924  1.00  0.00           H  
HETATM    9  H   LIG     1      -1.520   1.099   1.340  1.00  0.00           H  
HETATM   10  H   LIG     1      -2.000   1.667  -0.259  1.00  0.00           H  
HETATM   11  H   LIG     1      -1.999  -0.990   0.110  1.00  0.00           H  
HETATM   12  H   LIG     1      -1.157  -0.387  -1.320  1.00  0.00           H  
HETATM   13  H   LIG     1       0.428  -1.897  -0.156  1.00  0.00           H  
HETATM   14  H   LIG     1       0.089  -1.109   1.382  1.00  0.00           H  
CONECT    1    6    2    3                                            
CONECT    2    8    1    5    7                                       
CONECT    3   10    4    1    9                                       
CONECT    4   12   11    3    5                                       
CONECT    5    4   13    2   14                                       
CONECT    6    1                                                      
CONECT    7    2                                                      
CONECT    8    2                                                      
CONECT    9    3                                                      
CONECT   10    3                                                      
CONECT   11    4                                                      
CONECT   12    4                                                      
CONECT   13    5                                                      
CONECT   14    5                                                      
MASTER        0    0    0    0    0    0    0    0   14    0   14    0
END