sim/src/tests/heteroatom_organics/CH3NH2.pdb


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COMPND    CH3NH2.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1  N   LIG     1      -0.771   0.163   0.499  1.00  0.00           N  
HETATM    2  C   LIG     1       0.324  -0.068  -0.446  1.00  0.00           C  
HETATM    3  H   LIG     1      -0.569   0.986   1.062  1.00  0.00           H  
HETATM    4  H   LIG     1      -0.827  -0.614   1.154  1.00  0.00           H  
HETATM    5  H   LIG     1       0.101  -0.956  -1.047  1.00  0.00           H  
HETATM    6  H   LIG     1       1.323  -0.209   0.000  1.00  0.00           H  
HETATM    7  H   LIG     1       0.388   0.779  -1.138  1.00  0.00           H  
CONECT    1    2    3    4                                            
CONECT    2    7    5    6    1                                       
CONECT    3    1                                                      
CONECT    4    1                                                      
CONECT    5    2                                                      
CONECT    6    2                                                      
CONECT    7    2                                                      
MASTER        0    0    0    0    0    0    0    0    7    0    7    0
END