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path: root/sim/src/tests/heteroatom_organics/CH3PHCH3.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) (-0.116988, -0.294472, -0.941822, -0.112123) (2.546033) (0.007500, -0.002500, -0.005500) (1.000000)
egroup (View Data)
group (CH3PHCH3)
info opengroup open = True
mol (CH3PHCH3.pdb) def
atom 1 (15) (781, 778, 38) def
atom 2 (6) (843, -778, -999) def
bond1 1
atom 3 (6) (-774, 463, 1029) def
bond1 1
atom 4 (1) (191, 1622, -949) def
bond1 1
atom 5 (1) (-114, -1022, -1469) def
bond1 2
atom 6 (1) (1150, -1617, -368) def
bond1 2
atom 7 (1) (1601, -658, -1780) def
bond1 2
atom 8 (1) (-564, -294, 1791) def
bond1 3
atom 9 (1) (-1616, 122, 418) def
bond1 3
atom 10 (1) (-1063, 1382, 1548) def
bond1 3
egroup (CH3PHCH3)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part CH3PHCH3