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path: root/sim/src/tests/heteroatom_organics/test_C_CH3_3_OH.mmp
blob: 5922d33936a1ecc2947ba364ca02ad12aae8bbdb (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) (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) (-479, -79, -229) def
atom 2 (6) (-639, 961, 1230) def
bond1 1
atom 3 (6) (-756, 661, -1534) def
bond1 1
atom 4 (6) (-920, -1023, 136) def
bond1 1
atom 5 (8) (1111, 104, 290) def
bond1 1
atom 6 (1) (-580, 80, 2447) def
bond1 2
atom 7 (1) (-592, 130, -2127) def
bond1 3
atom 8 (1) (-495, 1450, 1033) def
bond1 2
atom 9 (1) (-494, 1830, -1349) def
bond1 3
atom 10 (1) (-1939, 965, 1264) def
bond1 2
atom 11 (1) (-2172, 951, -1222) def
bond1 3
atom 12 (1) (-598, -2341, 461) def
bond1 4
atom 13 (1) (-839, -2041, -714) def
bond1 4
atom 14 (1) (-2220, -717, 3) def
bond1 4
atom 15 (1) (1213, 700, -67) 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