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) (0.941951, 0.000037, 0.325809, 0.081094) (5.572932) (0.000000, 0.000000, 0.000000) (1.000000)
egroup (View Data)
group (4heptanone)
info opengroup open = True
mol (4heptanone) def
atom 1 (1) (-3921, -688, -658) def
atom 2 (6) (-3741, -323, 364) def
bond1 1
atom 3 (1) (-4298, 616, 507) def
bond1 2
atom 4 (6) (-2224, -96, 596) def
bond1 2
atom 5 (1) (-4127, -1069, 1076) def
bond1 2
atom 6 (6) (-1649, 944, -399) def
bond1 4
atom 7 (1) (-1703, -1060, 477) def
bond1 4
atom 8 (1) (-2064, 260, 1628) def
bond1 4
atom 9 (1) (-2229, 1878, -319) def
bond1 6
atom 10 (1) (-1750, 572, -1431) def
bond1 6
atom 11 (6) (-194, 1247, -120) def
info atom atomtype = sp2
bond1 6
atom 12 (8) (153, 2369, 217) def
info atom atomtype = sp2
bond2 11
atom 13 (6) (808, 128, -269) def
bond1 11
atom 14 (6) (2264, 660, -361) def
bond1 13
atom 15 (1) (576, -456, -1173) def
bond1 13
atom 16 (1) (729, -533, 606) def
bond1 13
atom 17 (1) (2347, 1346, -1221) def
bond1 14
atom 18 (6) (3282, -497, -535) def
bond1 14
atom 19 (1) (2513, 1222, 554) def
bond1 14
atom 20 (1) (4305, -96, -597) def
bond1 18
atom 21 (1) (3068, -1061, -1456) def
bond1 18
atom 22 (1) (3227, -1187, 321) def
bond1 18
egroup (4heptanone)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part 4heptanone