sim/src/tests/heteroatom_organics/C5H10PH.pdb


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COMPND    C5H10PH.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1  P   LIG     1      -0.335   1.618   0.236  1.00  0.00           P  
HETATM    2  C   LIG     1       0.456   0.349   1.379  1.00  0.00           C  
HETATM    3  C   LIG     1       0.123   0.775  -1.384  1.00  0.00           C  
HETATM    4  C   LIG     1      -0.425  -0.662  -1.419  1.00  0.00           C  
HETATM    5  C   LIG     1      -0.128  -1.048   1.108  1.00  0.00           C  
HETATM    6  C   LIG     1       0.162  -1.558  -0.314  1.00  0.00           C  
HETATM    7  H   LIG     1       0.717   2.582   0.255  1.00  0.00           H  
HETATM    8  H   LIG     1       0.262   0.651   2.414  1.00  0.00           H  
HETATM    9  H   LIG     1       1.544   0.330   1.241  1.00  0.00           H  
HETATM   10  H   LIG     1      -0.294   1.363  -2.209  1.00  0.00           H  
HETATM   11  H   LIG     1       1.213   0.762  -1.509  1.00  0.00           H  
HETATM   12  H   LIG     1      -0.208  -1.106  -2.398  1.00  0.00           H  
HETATM   13  H   LIG     1      -1.520  -0.642  -1.323  1.00  0.00           H  
HETATM   14  H   LIG     1       0.279  -1.756   1.843  1.00  0.00           H  
HETATM   15  H   LIG     1      -1.215  -1.033   1.267  1.00  0.00           H  
HETATM   16  H   LIG     1      -0.232  -2.576  -0.423  1.00  0.00           H  
HETATM   17  H   LIG     1       1.251  -1.631  -0.453  1.00  0.00           H  
CONECT    1    3    7    2                                            
CONECT    2    1    5    9    8                                       
CONECT    3   10   11    4    1                                       
CONECT    4   12    3   13    6                                       
CONECT    5    6   15    2   14                                       
CONECT    6    4   17   16    5                                       
CONECT    7    1                                                      
CONECT    8    2                                                      
CONECT    9    2                                                      
CONECT   10    3                                                      
CONECT   11    3                                                      
CONECT   12    4                                                      
CONECT   13    4                                                      
CONECT   14    5                                                      
CONECT   15    5                                                      
CONECT   16    6                                                      
CONECT   17    6                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END