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path: root/sim/src/tests/heteroatom_organics/C_CH3_3_OH.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) (6.451982) (0.495000, 0.077500, -0.000000) (1.000000)
egroup (View Data)
group (C_CH3_3_OH)
info opengroup open = True
mol (C_CH3_3_OH.pdb) cpk
atom 1 (6) (-579, 19, 0) def
atom 2 (6) (-1008, 776, 1265) def
bond1 1
atom 3 (6) (-1008, 776, -1265) def
bond1 1
atom 4 (6) (-1135, -1407, 0) def
bond1 1
atom 5 (8) (851, -144, 0) def
bond1 1
atom 6 (1) (-651, 256, 2159) def
bond1 2
atom 7 (1) (-651, 256, -2159) def
bond1 3
atom 8 (1) (-594, 1792, 1274) def
bond1 2
atom 9 (1) (-594, 1792, -1274) def
bond1 3
atom 10 (1) (-2100, 864, 1330) def
bond1 2
atom 11 (1) (-2100, 864, -1330) def
bond1 3
atom 12 (1) (-788, -1947, 886) def
bond1 4
atom 13 (1) (-788, -1947, -886) def
bond1 4
atom 14 (1) (-2229, -1404, 0) def
bond1 4
atom 15 (1) (1239, 742, 0) def
bond1 5
egroup (C_CH3_3_OH)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part C_CH3_3_OH