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