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) (1.000000, 0.000000, 0.000000, 0.000000) (4.754485) (0.321000, -0.484000, -0.000000) (1.000000) egroup (View Data) group (HS_NH2_cs) info opengroup open = True mol (HS_NH2_cs.pdb) def atom 1 (16) (144, -44, 190) def atom 2 (7) (-1522, 308, -327) def bond1 1 atom 3 (1) (919, 1580, -176) def bond1 1 atom 4 (1) (-1364, -241, -991) def bond1 2 atom 5 (1) (-1778, -475, 588) def bond1 2 egroup (HS_NH2_cs) end1 group (Clipboard) info opengroup open = False egroup (Clipboard) end molecular machine part HS_NH2_cs