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path: root/sim/src/tests/heteroatom_organics/test_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) (1197, 1188, -451) def
atom 2 (6) (567, -986, -999) def
bond1 1
atom 3 (6) (-500, 551, 1375) def
bond1 1
atom 4 (1) (-388, 1669, -1130) def
bond1 1
atom 5 (1) (-302, -1334, -1110) def
bond1 2
atom 6 (1) (1414, -1300, -441) def
bond1 2
atom 7 (1) (1995, -1110, -1600) def
bond1 2
atom 8 (1) (-708, -647, 1776) def
bond1 3
atom 9 (1) (-1138, 120, 432) def
bond1 3
atom 10 (1) (-1179, 1594, 1111) def
bond1 3
egroup (CH3PHCH3)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part CH3PHCH3