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path: root/sim/src/tests/heteroatom_organics/C4H8PH.mmp
blob: fc43854c7577bedfa9232fc2214411d1d615106e (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) (6.228079) (-0.037000, -0.063000, -0.031000) (1.000000)
egroup (View Data)
group (C4H8PH)
info opengroup open = True
mol (C4H8PH.pdb) def
atom 1 (15) (463, 1834, 94) def
atom 2 (6) (1287, 117, 50) def
bond1 1
atom 3 (6) (-1254, 1073, 278) def
bond1 1
atom 4 (6) (-1152, -377, -221) def
bond1 3
atom 5 (6) (181, -933, 303) def
bond1 2 4
atom 6 (1) (397, 2023, -1320) def
bond1 1
atom 7 (1) (2074, 63, 806) def
bond1 2
atom 8 (1) (1764, -27, -924) def
bond1 2
atom 9 (1) (-1520, 1099, 1340) def
bond1 3
atom 10 (1) (-2000, 1667, -259) def
bond1 3
atom 11 (1) (-1999, -990, 110) def
bond1 4
atom 12 (1) (-1157, -387, -1320) def
bond1 4
atom 13 (1) (428, -1897, -156) def
bond1 5
atom 14 (1) (89, -1109, 1382) def
bond1 5
egroup (C4H8PH)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part C4H8PH