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) (0.593283, -0.047584, -0.587604, 0.548154) (5.950136) (2.701500, 2.159000, -0.854500) (1.000000) egroup (View Data) group (vanillin) info opengroup open = True mol (vanillin) def atom 1 (6) (-1533, -113, -98) def info atom atomtype = sp2 atom 2 (6) (-2142, -1287, -548) def info atom atomtype = sp2 bonda 1 atom 3 (6) (-2600, -2232, 373) def info atom atomtype = sp2 bonda 2 atom 4 (6) (-2448, -2004, 1742) def info atom atomtype = sp2 bonda 3 atom 5 (6) (-1839, -830, 2191) def info atom atomtype = sp2 bonda 4 atom 6 (6) (-1382, 116, 1271) def info atom atomtype = sp2 bonda 5 1 atom 7 (1) (-1176, 625, -817) def bond1 1 atom 8 (8) (-2304, -1532, -2019) def bond1 2 atom 9 (8) (-3253, -3493, -110) def bond1 3 atom 10 (1) (-2806, -2742, 2460) def bond1 4 atom 11 (6) (-1673, -578, 3702) def info atom atomtype = sp2 bond1 5 atom 12 (1) (-907, 1032, 1622) def bond1 6 atom 13 (8) (-1099, 529, 4125) def info atom atomtype = sp2 bond2 11 atom 14 (1) (-1960, -821, -2711) def bond1 8 atom 15 (6) (-3745, -4509, 878) def bond1 9 atom 16 (1) (-2029, -1316, 4420) def bond1 11 atom 17 (1) (-4496, -4053, 1524) def bond1 15 atom 18 (1) (-2910, -4860, 1484) def bond1 15 atom 19 (1) (-4187, -5350, 345) def bond1 15 egroup (vanillin) end1 group (Clipboard) info opengroup open = False egroup (Clipboard) end molecular machine part vanillin