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mmpformat 050920 required; 060421 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) (2.333344) (0.000000, 0.000000, 0.000000) (1.000000)
egroup (View Data)
group (-CO %28ketone%29)
info opengroup open = True
mol (-C=O-) def
atom 1 (6) (85, -52, 0) def
info atom atomtype = sp2
atom 2 (0) (-214, -635, -270) def
bond1 1
atom 3 (0) (740, -83, 270) def
bond1 1
atom 4 (8) (-543, 1037, 0) def
info atom atomtype = sp2
bond2 1
egroup (-CO %28ketone%29)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part -CO (ketone)
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