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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) (1.000000, 0.000000, 0.000000, 0.000000) (5.053392) (3.295500, -2.213000, 5.682500) (1.000000)
egroup (View Data)
group (butanedione)
info opengroup open = True
mol (butanedione) def
atom 1 (6) (-4341, 2834, -4048) def
atom 2 (6) (-3751, 2796, -5470) def
info atom atomtype = sp2
bond1 1
atom 3 (6) (-2840, 1630, -5894) def
info atom atomtype = sp2
bond1 2
atom 4 (6) (-2250, 1592, -7316) def
bond1 3
atom 5 (8) (-4026, 3762, -6322) def
info atom atomtype = sp2
bond2 2
atom 6 (8) (-2566, 664, -5042) def
info atom atomtype = sp2
bond2 3
atom 7 (1) (-3532, 2854, -3319) def
bond1 1
atom 8 (1) (-4955, 1948, -3885) def
bond1 1
atom 9 (1) (-4955, 3728, -3933) def
bond1 1
atom 10 (1) (-1636, 2478, -7479) def
bond1 4
atom 11 (1) (-3060, 1573, -8045) def
bond1 4
atom 12 (1) (-1636, 699, -7431) def
bond1 4
egroup (butanedione)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part butanedione
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