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path: root/sim/src/tests/heteroatom_organics/CH3BH2.mmp
blob: ca260865cf2baf41101dd6eec2a96c4c7c8d1fe5 (plain)
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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) (0.767601, 0.562473, -0.008655, -0.307144) (2.246507) (0.021500, -0.006000, -0.011500) (1.000000)
egroup (View Data)
group (CH3BH2)
info opengroup open = True
mol (CH3BH2.pdb) def
atom 1 (5) (-597, 97, 490) def
atom 2 (6) (536, -153, -555) def
bond1 1
atom 3 (1) (-527, 1044, 1220) def
bond1 1
atom 4 (1) (-1546, -624, 598) def
bond1 1
atom 5 (1) (415, -1032, -1193) def
bond1 2
atom 6 (1) (1503, -227, -34) def
bond1 2
atom 7 (1) (644, 735, -1197) def
bond1 2
egroup (CH3BH2)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part CH3BH2