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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) (-0.513927, -0.045067, 0.742553, -0.427157) (4.187053) (-0.135500, 0.205500, -0.100500) (1.000000)
egroup (View Data)
group (isoamyl_acetate)
info opengroup open = True
mol (isoamyl_acetate.pdb) def
atom 1 (6) (-3489, -594, -1671) def
atom 2 (6) (-2005, -180, -1671) def
info atom atomtype = sp2
bond1 1
atom 3 (8) (-1525, 546, -2658) def
info atom atomtype = sp2
bond2 2
atom 4 (8) (-1109, -604, -546) def
bond1 2
atom 5 (6) (336, -201, -546) def
bond1 4
atom 6 (6) (1026, -762, 712) def
bond1 5
atom 7 (6) (2509, -348, 712) def
bond1 6
atom 8 (6) (2613, 1188, 711) def
bond1 7
atom 9 (6) (3199, -909, 1969) def
bond1 7
atom 10 (1) (-3563, -1681, -1671) def
bond1 1
atom 11 (1) (-3977, -197, -781) def
bond1 1
atom 12 (1) (-3977, -197, -2561) def
bond1 1
atom 13 (1) (824, -598, -1436) def
bond1 5
atom 14 (1) (410, 887, -546) def
bond1 5
atom 15 (1) (538, -365, 1602) def
bond1 6
atom 16 (1) (952, -1850, 712) def
bond1 6
atom 17 (1) (2997, -745, -178) def
bond1 7
atom 18 (1) (2125, 1586, -178) def
bond1 8
atom 19 (1) (2125, 1586, 1601) def
bond1 8
atom 20 (1) (3663, 1481, 711) def
bond1 8
atom 21 (1) (2711, -512, 2859) def
bond1 9
atom 22 (1) (3125, -1997, 1969) def
bond1 9
atom 23 (1) (4248, -616, 1969) def
bond1 9
egroup (isoamyl_acetate)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part isoamyl_acetate
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