sim/src/tests/heteroatom_organics/CH3NHCH3.pdb


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COMPND    CH3NHCH3.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1  N   LIG     1       0.422   0.869  -0.001  1.00  0.00           N  
HETATM    2  C   LIG     1       0.090   0.172   1.235  1.00  0.00           C  
HETATM    3  C   LIG     1      -0.333   0.378  -1.146  1.00  0.00           C  
HETATM    4  H   LIG     1       1.417   0.766  -0.184  1.00  0.00           H  
HETATM    5  H   LIG     1       0.178  -0.929   1.179  1.00  0.00           H  
HETATM    6  H   LIG     1      -0.945   0.403   1.517  1.00  0.00           H  
HETATM    7  H   LIG     1       0.737   0.526   2.044  1.00  0.00           H  
HETATM    8  H   LIG     1      -1.395   0.612  -1.005  1.00  0.00           H  
HETATM    9  H   LIG     1      -0.257  -0.713  -1.313  1.00  0.00           H  
HETATM   10  H   LIG     1      -0.001   0.889  -2.056  1.00  0.00           H  
CONECT    1    3    4    2                                            
CONECT    2    1    5    6    7                                       
CONECT    3   10    9    8    1                                       
CONECT    4    1                                                      
CONECT    5    2                                                      
CONECT    6    2                                                      
CONECT    7    2                                                      
CONECT    8    3                                                      
CONECT    9    3                                                      
CONECT   10    3                                                      
MASTER        0    0    0    0    0    0    0    0   10    0   10    0
END