mmpformat 050920 required; 070415 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) (0.834588, -0.085788, 0.195024, 0.508005) (7.106569) (-2.115855, 7.141500, -3.627500) (1.000000) egroup (View Data) group (l_tryptophan_mm2_neutral) info opengroup open = True mol (l_tryptophan_mm2_neutral) def atom 1 (7) (1637, -5998, 3746) def atom 2 (6) (2595, -6954, 3200) def bond1 1 atom 3 (6) (2907, -8016, 4233) def info atom atomtype = sp2 bond1 2 atom 4 (8) (2790, -9184, 3975) def info atom atomtype = sp2 bond2 3 atom 5 (1) (1972, -5099, 4066) def bond1 1 atom 6 (1) (2123, -7452, 2318) def bond1 2 atom 7 (0) (984, -6223, 3983) def bond1 1 atom 8 (0) (3100, -7764, 4937) def bond1 3 atom 9 (6) (3910, -6290, 2684) def bond1 2 atom 10 (1) (3666, -5538, 1934) def bond1 9 atom 11 (1) (4519, -7035, 2175) def bond1 9 atom 12 (6) (4733, -5647, 3836) def info atom atomtype = sp2 bond1 9 atom 13 (6) (5842, -6186, 4500) def info atom atomtype = sp2 bond1 12 atom 14 (6) (4499, -4385, 4421) def info atom atomtype = sp2 bond2 12 atom 15 (1) (3707, -3693, 4141) def bond1 14 atom 16 (7) (5458, -4166, 5428) def bond1 14 atom 17 (1) (5544, -3286, 6062) def bond1 16 atom 18 (6) (6276, -5295, 5455) def info atom atomtype = sp2 bond1 16 bonda 13 atom 19 (6) (7371, -5563, 6276) def info atom atomtype = sp2 bonda 18 atom 20 (1) (7703, -4849, 7027) def bond1 19 atom 21 (6) (6478, -7413, 4301) def info atom atomtype = sp2 bonda 13 atom 22 (1) (6133, -8117, 3546) def bond1 21 atom 23 (6) (7589, -7715, 5115) def info atom atomtype = sp2 bonda 21 atom 24 (1) (8109, -8662, 4988) def bond1 23 atom 25 (6) (8033, -6795, 6098) def info atom atomtype = sp2 bonda 19 23 atom 26 (1) (8892, -7041, 6719) def bond1 25 info chunk hotspot = 8 egroup (l_tryptophan_mm2_neutral) end1 group (Clipboard) info opengroup open = False egroup (Clipboard) end molecular machine part l_tryptophan_mm2_neutral