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path: root/sim/src/tests/heteroatom_organics/C5H10O.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) (1.000000, 0.000000, 0.000000, 0.000000) (6.492590) (-0.005000, 0.126500, 0.009500) (1.000000)
egroup (View Data)
group (C5H10O)
info opengroup open = True
mol (C5H10O.pdb) def
atom 1 (8) (-172, 1665, 284) def
atom 2 (6) (407, 840, 1291) def
bond1 1
atom 3 (6) (128, 1199, -1027) def
bond1 1
atom 4 (6) (-401, -218, -1264) def
bond1 3
atom 5 (6) (-111, -598, 1209) def
bond1 2
atom 6 (6) (146, -1175, -190) def
bond1 4 5
atom 7 (1) (151, 1303, 2249) def
bond1 2
atom 8 (1) (1508, 848, 1193) def
bond1 2
atom 9 (1) (-328, 1917, -1715) def
bond1 3
atom 10 (1) (1221, 1220, -1188) def
bond1 3
atom 11 (1) (-120, -558, -2268) def
bond1 4
atom 12 (1) (-1498, -200, -1218) def
bond1 4
atom 13 (1) (367, -1209, 1986) def
bond1 5
atom 14 (1) (-1189, -596, 1415) def
bond1 5
atom 15 (1) (-302, -2170, -291) def
bond1 6
atom 16 (1) (1228, -1298, -337) def
bond1 6
egroup (C5H10O)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part C5H10O