sim/src/tests/heteroatom_organics/CH3SH.pdb


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COMPND    CH3SH.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1  S   LIG     1      -1.182   0.052   0.690  1.00  0.00           S  
HETATM    2  C   LIG     1       0.163  -0.229  -0.530  1.00  0.00           C  
HETATM    3  H   LIG     1      -0.665   1.164   1.253  1.00  0.00           H  
HETATM    4  H   LIG     1      -0.106  -1.137  -1.073  1.00  0.00           H  
HETATM    5  H   LIG     1       1.121  -0.387  -0.033  1.00  0.00           H  
HETATM    6  H   LIG     1       0.236   0.596  -1.241  1.00  0.00           H  
CONECT    1    2    3                                                 
CONECT    2    6    4    5    1                                       
CONECT    3    1                                                      
CONECT    4    2                                                      
CONECT    5    2                                                      
CONECT    6    2                                                      
MASTER        0    0    0    0    0    0    0    0    6    0    6    0
END