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path: root/sim/src/tests/heteroatom_organics/C4H8O.mmp
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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) (5.938570) (0.088500, 0.196500, -0.007000) (1.000000)
egroup (View Data)
group (C4H8O)
info opengroup open = True
mol (C4H8O.pdb) def
atom 1 (8) (-59, 1291, -515) def
atom 2 (6) (1119, 482, -387) def
bond1 1
atom 3 (6) (-1185, 589, 15) def
bond1 1
atom 4 (6) (-805, -893, -23) def
bond1 3
atom 5 (6) (692, -817, 321) def
bond1 2 4
atom 6 (1) (1884, 1033, 174) def
bond1 2
atom 7 (1) (1517, 281, -1391) def
bond1 2
atom 8 (1) (-1386, 910, 1051) def
bond1 3
atom 9 (1) (-2061, 837, -593) def
bond1 3
atom 10 (1) (-1384, -1504, 676) def
bond1 4
atom 11 (1) (-947, -1294, -1033) def
bond1 4
atom 12 (1) (1269, -1684, -12) def
bond1 5
atom 13 (1) (822, -724, 1405) def
bond1 5
egroup (C4H8O)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part C4H8O