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path: root/sim/src/tests/heteroatom_organics/CH3PH2.mmp
blob: 2691aaae0196bc63ed0f863f8b49571f29c7bb18 (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) (0.727783, -0.503600, -0.083408, 0.457998) (2.284471) (0.040500, -0.025500, -0.018000) (1.000000)
egroup (View Data)
group (CH3PH2)
info opengroup open = True
mol (CH3PH2.pdb) def
atom 1 (15) (-1231, 83, 523) def
atom 2 (6) (151, -207, -713) def
bond1 1
atom 3 (1) (-688, 1243, 1148) def
bond1 1
atom 4 (1) (-755, -790, 1545) def
bond1 1
atom 5 (1) (15, -1192, -1167) def
bond1 2
atom 6 (1) (1150, -153, -275) def
bond1 2
atom 7 (1) (71, 538, -1509) def
bond1 2
egroup (CH3PH2)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part CH3PH2