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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) (4.815484) (-0.666500, 2.526000, -1.073000) (1.000000)
egroup (View Data)
group (trans3hexene)
info opengroup open = True
mol (trans3hexene) def
atom 1 (1) (-2477, -2342, 2227) def
atom 2 (6) (-2234, -1490, 1581) def
bond1 1
atom 3 (1) (-2556, -1705, 556) def
bond1 2
atom 4 (6) (-722, -1250, 1600) def
bond1 2
atom 5 (6) (0, -2500, 1090) def
info atom atomtype = sp2
bond1 4
atom 6 (6) (1331, -2540, 1074) def
info atom atomtype = sp2
bond2 5
atom 7 (1) (1910, -1679, 1425) def
bond1 6
atom 8 (6) (2053, -3791, 563) def
bond1 6
atom 9 (6) (3567, -3577, 650) def
bond1 8
atom 10 (1) (4083, -4472, 285) def
bond1 9
atom 11 (1) (3850, -3392, 1693) def
bond1 9
atom 12 (1) (3850, -2715, 36) def
bond1 9
atom 13 (1) (1770, -3976, -479) def
bond1 8
atom 14 (1) (1770, -4653, 1178) def
bond1 8
atom 15 (1) (-579, -3362, 738) def
bond1 5
atom 16 (1) (-399, -1035, 2625) def
bond1 4
atom 17 (1) (-479, -399, 954) def
bond1 4
atom 18 (1) (-2750, -595, 1946) def
bond1 2
egroup (trans3hexene)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part trans3hexene
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