sim/src/tests/heteroatom_organics/C4H8NH.pdb


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COMPND    C4H8NH.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1  N   LIG     1       0.348   1.276   0.398  1.00  0.00           N  
HETATM    2  C   LIG     1       1.154   0.121  -0.018  1.00  0.00           C  
HETATM    3  C   LIG     1      -1.082   0.982   0.146  1.00  0.00           C  
HETATM    4  C   LIG     1      -1.137  -0.526  -0.200  1.00  0.00           C  
HETATM    5  C   LIG     1       0.226  -1.061   0.277  1.00  0.00           C  
HETATM    6  H   LIG     1       0.646   2.134  -0.052  1.00  0.00           H  
HETATM    7  H   LIG     1       2.091   0.078   0.552  1.00  0.00           H  
HETATM    8  H   LIG     1       1.423   0.127  -1.091  1.00  0.00           H  
HETATM    9  H   LIG     1      -1.670   1.207   1.047  1.00  0.00           H  
HETATM   10  H   LIG     1      -1.505   1.587  -0.668  1.00  0.00           H  
HETATM   11  H   LIG     1      -1.986  -1.036   0.264  1.00  0.00           H  
HETATM   12  H   LIG     1      -1.222  -0.657  -1.284  1.00  0.00           H  
HETATM   13  H   LIG     1       0.530  -1.980  -0.232  1.00  0.00           H  
HETATM   14  H   LIG     1       0.205  -1.254   1.355  1.00  0.00           H  
CONECT    1    6    2    3                                            
CONECT    2    8    5    1    7                                       
CONECT    3   10    4    1    9                                       
CONECT    4   12    3   11    5                                       
CONECT    5   13    4    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