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path: root/sim/src/tests/heteroatom_organics/C3H6O.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) (5.772987) (0.064000, 0.212000, -0.079500) (1.000000)
egroup (View Data)
group (C3H6O)
info opengroup open = True
mol (C3H6O.pdb) def
atom 1 (8) (-236, 916, -1092) def
atom 2 (6) (912, 170, -626) def
bond1 1
atom 3 (6) (-1079, 337, -69) def
bond1 1
atom 4 (6) (108, -438, 543) def
bond1 2 3
atom 5 (1) (1746, 829, -350) def
bond1 2
atom 6 (1) (1267, -549, -1376) def
bond1 2
atom 7 (1) (-1537, 1102, 570) def
bond1 3
atom 8 (1) (-1874, -288, -498) def
bond1 3
atom 9 (1) (16, -1526, 543) def
bond1 4
atom 10 (1) (416, -102, 1535) def
bond1 4
egroup (C3H6O)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part C3H6O