mmpformat 050502 required; 050706 preferred kelvin 300 group (View Data) info opengroup open = True csys (HomeView) (1.000000, 0.000000, 0.000000, 0.000000) (10.000000) (0.000000, 0.000000, 0.000000) (1.000000) csys (LastView) (0.939059, -0.125985, -0.204523, 0.245898) (2.187629) (0.030500, -0.013500, -0.006000) (1.000000) egroup (View Data) group (CH3SH) info opengroup open = True mol (CH3SH.pdb) def atom 1 (16) (-812, -388, 615) def atom 2 (6) (-104, -141, -567) def bond1 1 atom 3 (1) (-994, 1221, 932) def bond1 1 atom 4 (1) (-95, -944, -924) def bond1 2 atom 5 (1) (1429, -370, 153) def bond1 2 atom 6 (1) (826, 580, -811) def bond1 2 egroup (CH3SH) end1 group (Clipboard) info opengroup open = False egroup (Clipboard) end molecular machine part CH3SH