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path: root/sim/src/tests/heteroatom_organics/C4H8S.mmp
blob: fd4f50440104c7709864ff036f7cf24ca3c37bef (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) (6.168692) (0.006500, -0.017500, -0.000000) (1.000000)
egroup (View Data)
group (C4H8S)
info opengroup open = True
mol (C4H8S.pdb) def
atom 1 (16) (394, 1848, 275) def
atom 2 (6) (1196, 196, 12) def
bond1 1
atom 3 (6) (-1324, 1149, 258) def
bond1 1
atom 4 (6) (-1204, -289, -263) def
bond1 3
atom 5 (6) (114, -855, 281) def
bond1 2 4
atom 6 (1) (2051, 104, 685) def
bond1 2
atom 7 (1) (1558, 139, -1018) def
bond1 2
atom 8 (1) (-1725, 1170, 1275) def
bond1 3
atom 9 (1) (-1956, 1774, -376) def
bond1 3
atom 10 (1) (-2064, -893, 49) def
bond1 4
atom 11 (1) (-1188, -289, -1361) def
bond1 4
atom 12 (1) (370, -1813, -185) def
bond1 5
atom 13 (1) (22, -1024, 1361) def
bond1 5
egroup (C4H8S)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part C4H8S