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path: root/sim/src/tests/heteroatom_organics/test_C5H10S.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) (6.616154) (-0.008500, -0.031000, 0.015500) (1.000000)
egroup (View Data)
group (C5H10S)
info opengroup open = True
mol (C5H10S.pdb) def
atom 1 (16) (92, 1942, 447) def
atom 2 (6) (762, 963, 1645) def
bond1 1
atom 3 (6) (504, 1519, -1614) def
bond1 1
atom 4 (6) (-408, 112, -1520) def
bond1 3
atom 5 (6) (-175, -492, 816) def
bond1 2
atom 6 (6) (-271, -406, -563) def
bond1 4 5
atom 7 (1) (354, 1142, 1859) def
bond1 2
atom 8 (1) (1602, 707, 1313) def
bond1 2
atom 9 (1) (-816, 1981, -2429) def
bond1 3
atom 10 (1) (1496, 873, -1131) def
bond1 3
atom 11 (1) (230, -560, -1838) def
bond1 4
atom 12 (1) (-1548, 164, -668) def
bond1 4
atom 13 (1) (485, -978, 1746) def
bond1 5
atom 14 (1) (-1358, 98, 592) def
bond1 5
atom 15 (1) (-120, -2175, -865) def
bond1 6
atom 16 (1) (1239, -1008, -519) def
bond1 6
egroup (C5H10S)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part C5H10S