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path: root/sim/src/tests/heteroatom_organics/C_CH3_3_SH.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) (6.589229) (0.367500, 0.116000, -0.000000) (1.000000)
egroup (View Data)
group (C_CH3_3_SH)
info opengroup open = True
mol (C_CH3_3_SH.pdb) cpk
atom 1 (6) (-622, -11, 0) def
atom 2 (6) (-1029, 764, 1260) def
bond1 1
atom 3 (6) (-1029, 764, -1260) def
bond1 1
atom 4 (6) (-1242, -1415, 0) def
bond1 1
atom 5 (16) (1231, -302, 0) def
bond1 1
atom 6 (1) (-746, 229, 2172) def
bond1 2
atom 7 (1) (-746, 229, -2172) def
bond1 3
atom 8 (1) (-552, 1750, 1290) def
bond1 2
atom 9 (1) (-552, 1750, -1290) def
bond1 3
atom 10 (1) (-2115, 918, 1275) def
bond1 2
atom 11 (1) (-2115, 918, -1275) def
bond1 3
atom 12 (1) (-943, -1982, 888) def
bond1 4
atom 13 (1) (-943, -1982, -888) def
bond1 4
atom 14 (1) (-2336, -1342, 0) def
bond1 4
atom 15 (1) (1601, 996, 0) def
bond1 5
egroup (C_CH3_3_SH)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part C_CH3_3_SH