sim/src/tests/heteroatom_organics/C3H6NH.pdb


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COMPND    C3H6NH.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1  N   LIG     1      -0.229   1.225   0.070  1.00  0.00           N  
HETATM    2  C   LIG     1      -0.243   0.285  -1.079  1.00  0.00           C  
HETATM    3  C   LIG     1      -0.278   0.085   1.019  1.00  0.00           C  
HETATM    4  C   LIG     1       0.214  -0.842  -0.121  1.00  0.00           C  
HETATM    5  H   LIG     1      -1.019   1.864   0.118  1.00  0.00           H  
HETATM    6  H   LIG     1       0.426   0.562  -1.903  1.00  0.00           H  
HETATM    7  H   LIG     1      -1.243   0.086  -1.494  1.00  0.00           H  
HETATM    8  H   LIG     1       0.363   0.198   1.901  1.00  0.00           H  
HETATM    9  H   LIG     1      -1.291  -0.186   1.358  1.00  0.00           H  
HETATM   10  H   LIG     1      -0.268  -1.817  -0.223  1.00  0.00           H  
HETATM   11  H   LIG     1       1.299  -0.970  -0.114  1.00  0.00           H  
CONECT    1    2    5    3                                            
CONECT    2    6    7    4    1                                       
CONECT    3    4    1    9    8                                       
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