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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
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