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path: root/sim/src/tests/heteroatom_organics/test_CH3SCH3.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) (0.936542, 0.105123, 0.077555, 0.325305) (2.398905) (-0.011000, -0.007500, 0.006000) (1.000000)
egroup (View Data)
group (CH3SCH3)
info opengroup open = True
mol (CH3SCH3.pdb) def
atom 1 (16) (159, 416, 363) def
atom 2 (6) (796, -826, -134) def
bond1 1
atom 3 (6) (-1772, 739, 18) def
bond1 1
atom 4 (1) (362, -1878, -841) def
bond1 2
atom 5 (1) (431, -1863, 1256) def
bond1 2
atom 6 (1) (1441, -1171, 56) def
bond1 2
atom 7 (1) (-1586, -222, 893) def
bond1 3
atom 8 (1) (-1397, 520, -1362) def
bond1 3
atom 9 (1) (-2165, 1657, 282) def
bond1 3
egroup (CH3SCH3)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part CH3SCH3