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path: root/sim/src/tests/heteroatom_organics/test_CH3SH.mmp
blob: fa5c10847c8536b4029a53c6e62c5eca6945cda9 (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) (0.939059, -0.125985, -0.204523, 0.245898) (2.187629) (0.030500, -0.013500, -0.006000) (1.000000)
egroup (View Data)
group (CH3SH)
info opengroup open = True
mol (CH3SH.pdb) def
atom 1 (16) (-812, -388, 615) def
atom 2 (6) (-104, -141, -567) def
bond1 1
atom 3 (1) (-994, 1221, 932) def
bond1 1
atom 4 (1) (-95, -944, -924) def
bond1 2
atom 5 (1) (1429, -370, 153) def
bond1 2
atom 6 (1) (826, 580, -811) def
bond1 2
egroup (CH3SH)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part CH3SH