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) (11.896795) (0.000000, 0.000000, 0.000000) (1.000000) csys (HomeView1) (1.000000, 0.000000, 0.000000, 0.000000) (10.000000) (0.000000, 0.000000, 0.000000) (1.000000) csys (LastView1) (0.965474, 0.127192, -0.200452, 0.107242) (9.547311) (0.000000, 0.000000, 0.000000) (1.000000) egroup (View Data) group (HIP_HISTIDINE_plus) info opengroup open = True mol (Chunk1) def atom 1 (7) (-5610, -1361, 99) def info atom atomtype = sp2(graphitic) atom 2 (1) (-6148, -1022, 892) def bond1 1 atom 3 (1) (-5948, -2156, -438) def bond1 1 atom 4 (6) (-4314, -687, -281) def bond1 1 atom 5 (1) (-3945, -89, 552) def bond1 4 atom 6 (6) (-4490, 307, -1468) def info atom atomtype = sp2 bond1 4 atom 7 (8) (-5099, 12, -2473) def info atom atomtype = sp2 bond2 6 atom 8 (8) (-3885, 1628, -1333) def bond1 6 atom 9 (1) (-4479, 2199, -830) def bond1 8 atom 10 (6) (-3177, -1702, -612) def bond1 4 atom 11 (1) (-2254, -1170, -833) def bond1 10 atom 12 (1) (-3438, -2267, -1505) def bond1 10 atom 13 (6) (-2923, -2689, 560) def info atom atomtype = sp2 bond1 10 atom 14 (6) (-2427, -2344, 1985) def info atom atomtype = sp2 bond1 13 atom 15 (1) (-2177, -1344, 2334) def bond1 14 atom 16 (7) (-2337, -3591, 2827) def info atom atomtype = sp2(graphitic) bond1 14 atom 17 (7) (-3119, -4174, 551) def info atom atomtype = sp2(graphitic) bond1 13 atom 18 (6) (-2774, -4707, 1912) def info atom atomtype = sp2 bond1 17 16 atom 19 (1) (-2832, -5755, 2199) def bond1 18 atom 20 (1) (-2056, -3536, 3712) def bond1 16 atom 21 (1) (-3410, -4600, -223) def bond1 17 egroup (HIP_HISTIDINE_plus) end1 group (Clipboard) info opengroup open = False group (Clipboard item 1) info opengroup open = True mol (Chunk1) def atom 22 (7) (-5956, -1311, 53) def info atom atomtype = sp2(graphitic) atom 23 (1) (-6647, -648, 393) def bond1 22 atom 24 (1) (-6234, -2264, -166) def bond1 22 atom 25 (6) (-4521, -878, -132) def bond1 22 atom 26 (1) (-4223, -240, 701) def bond1 25 atom 27 (6) (-4335, -23, -1421) def info atom atomtype = sp2 bond1 25 atom 28 (8) (-4820, -345, -2485) def info atom atomtype = sp2 bond2 27 atom 29 (8) (-3544, 1199, -1313) def bond1 27 atom 30 (1) (-4100, 1908, -964) def bond1 29 atom 31 (6) (-3527, -2085, -141) def bond1 25 atom 32 (1) (-3647, -2708, 744) def bond1 31 atom 33 (1) (-3647, -2700, -1031) def bond1 31 mol (CYM_CYSTEINE_with_negative_charge.in_frag) def atom 34 (16) (-1759, -1529, -132) def info atom atomtype = sp2 bond1 31 egroup (Clipboard item 1) egroup (Clipboard) end molecular machine part HIP_HISTIDINE_plus