sim/src/tests/heteroatom_organics/C_CH3_3_PH2.pdb


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COMPND    C_CH3_3_PH2.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1  C   LIG     1      -0.561   0.175   0.000  1.00  0.00           C  
HETATM    2  C   LIG     1      -1.131   0.860   1.257  1.00  0.00           C  
HETATM    3  C   LIG     1      -1.131   0.860  -1.257  1.00  0.00           C  
HETATM    4  C   LIG     1      -0.930  -1.318   0.000  1.00  0.00           C  
HETATM    5  P   LIG     1       1.318   0.474   0.000  1.00  0.00           P  
HETATM    6  H   LIG     1      -0.754   0.403   2.180  1.00  0.00           H  
HETATM    7  H   LIG     1      -0.754   0.403  -2.180  1.00  0.00           H  
HETATM    8  H   LIG     1      -0.876   1.926   1.286  1.00  0.00           H  
HETATM    9  H   LIG     1      -0.876   1.926  -1.286  1.00  0.00           H  
HETATM   10  H   LIG     1      -2.225   0.777   1.272  1.00  0.00           H  
HETATM   11  H   LIG     1      -2.225   0.777  -1.272  1.00  0.00           H  
HETATM   12  H   LIG     1      -0.538  -1.829   0.886  1.00  0.00           H  
HETATM   13  H   LIG     1      -0.538  -1.829  -0.886  1.00  0.00           H  
HETATM   14  H   LIG     1      -2.022  -1.434   0.000  1.00  0.00           H  
HETATM   15  H   LIG     1       1.657  -0.443   1.039  1.00  0.00           H  
HETATM   16  H   LIG     1       1.657  -0.443  -1.039  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