sim/src/tests/heteroatom_organics/C5H10NH.pdb


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COMPND    C5H10NH.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1  N   LIG     1      -0.193   1.462   0.054  1.00  0.00           N  
HETATM    2  C   LIG     1       0.277   0.774   1.259  1.00  0.00           C  
HETATM    3  C   LIG     1       0.284   0.826  -1.177  1.00  0.00           C  
HETATM    4  C   LIG     1      -0.242  -0.611  -1.254  1.00  0.00           C  
HETATM    5  C   LIG     1      -0.248  -0.665   1.273  1.00  0.00           C  
HETATM    6  C   LIG     1       0.170  -1.407  -0.007  1.00  0.00           C  
HETATM    7  H   LIG     1       0.108   2.432   0.077  1.00  0.00           H  
HETATM    8  H   LIG     1      -0.091   1.323   2.134  1.00  0.00           H  
HETATM    9  H   LIG     1       1.384   0.750   1.332  1.00  0.00           H  
HETATM   10  H   LIG     1      -0.079   1.412  -2.029  1.00  0.00           H  
HETATM   11  H   LIG     1       1.392   0.805  -1.245  1.00  0.00           H  
HETATM   12  H   LIG     1       0.131  -1.095  -2.166  1.00  0.00           H  
HETATM   13  H   LIG     1      -1.337  -0.582  -1.326  1.00  0.00           H  
HETATM   14  H   LIG     1       0.125  -1.189   2.162  1.00  0.00           H  
HETATM   15  H   LIG     1      -1.344  -0.641   1.343  1.00  0.00           H  
HETATM   16  H   LIG     1      -0.263  -2.414  -0.030  1.00  0.00           H  
HETATM   17  H   LIG     1       1.263  -1.531  -0.007  1.00  0.00           H  
CONECT    1    3    7    2                                            
CONECT    2    1    5    9    8                                       
CONECT    3   10    4   11    1                                       
CONECT    4   12   13    3    6                                       
CONECT    5    6    2   15   14                                       
CONECT    6    4   16   17    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