mmpformat 080327 required; 080529 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) (9.547120) (0.000000, 0.000000, 0.000000) (1.000000) egroup (View Data) group (CYM_CYSTEINE_negative) info opengroup open = True mol (CYM_CYSTEINE_with_negative_charge.in_frag) def atom 1 (7) (-5956, -1311, 53) def info atom atomtype = sp2(graphitic) atom 2 (1) (-6647, -648, 393) def bond1 1 atom 3 (1) (-6234, -2264, -166) def bond1 1 atom 4 (6) (-4521, -878, -132) def bond1 1 atom 5 (1) (-4223, -240, 701) def bond1 4 atom 6 (6) (-4335, -23, -1421) def info atom atomtype = sp2 bond1 4 atom 7 (8) (-4820, -345, -2485) def info atom atomtype = sp2 bond2 6 atom 8 (8) (-3544, 1199, -1313) def bond1 6 atom 9 (1) (-4100, 1908, -964) def bond1 8 atom 10 (6) (-3527, -2085, -141) def bond1 4 atom 11 (1) (-3647, -2708, 744) def bond1 10 atom 12 (1) (-3647, -2700, -1031) def bond1 10 atom 13 (16) (-1759, -1529, -132) def info atom atomtype = sp2 bond1 10 egroup (CYM_CYSTEINE_negative) end1 group (Clipboard) info opengroup open = False egroup (Clipboard) end molecular machine part CYM_CYSTEINE_negative