sim/src/tests/heteroatom_organics/C_CH3_3_NH2.pdb


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COMPND    C_CH3_3_NH2.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1  C   LIG     1      -0.494   0.132   0.000  1.00  0.00           C  
HETATM    2  C   LIG     1      -1.027   0.838   1.256  1.00  0.00           C  
HETATM    3  C   LIG     1      -1.027   0.838  -1.256  1.00  0.00           C  
HETATM    4  C   LIG     1      -0.945  -1.346   0.000  1.00  0.00           C  
HETATM    5  N   LIG     1       0.975   0.281   0.000  1.00  0.00           N  
HETATM    6  H   LIG     1      -0.652   0.362   2.171  1.00  0.00           H  
HETATM    7  H   LIG     1      -0.652   0.362  -2.171  1.00  0.00           H  
HETATM    8  H   LIG     1      -0.709   1.885   1.271  1.00  0.00           H  
HETATM    9  H   LIG     1      -0.709   1.885  -1.271  1.00  0.00           H  
HETATM   10  H   LIG     1      -2.121   0.804   1.294  1.00  0.00           H  
HETATM   11  H   LIG     1      -2.121   0.804  -1.294  1.00  0.00           H  
HETATM   12  H   LIG     1      -0.568  -1.869   0.887  1.00  0.00           H  
HETATM   13  H   LIG     1      -0.568  -1.869  -0.887  1.00  0.00           H  
HETATM   14  H   LIG     1      -2.038  -1.430   0.000  1.00  0.00           H  
HETATM   15  H   LIG     1       1.364  -0.196   0.813  1.00  0.00           H  
HETATM   16  H   LIG     1       1.364  -0.196  -0.813  1.00  0.00           H  
CONECT    1    3    4    5    2                                       
CONECT    2    1    8   10    6                                       
CONECT    3    7   11    9    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