6 CH3SH.mmp S -1.182000 0.052000 0.690000 C 0.163000 -0.229000 -0.530000 H -0.665000 1.164000 1.253000 H -0.106000 -1.137000 -1.073000 H 1.121000 -0.387000 -0.033000 H 0.236000 0.596000 -1.241000