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path: root/sim/src/tests/heteroatom_organics/test_C4H8S.mmp
blob: 2599511cbe0cc400d2a01598bf0004d838e8473e (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) (460, 1746, 386) def
atom 2 (6) (1065, 602, 212) def
bond1 1
atom 3 (6) (-1522, 1238, 342) def
bond1 1
atom 4 (6) (-770, -428, -504) def
bond1 3
atom 5 (6) (139, -1452, 479) def
bond1 2 4
atom 6 (1) (2240, 319, 572) def
bond1 2
atom 7 (1) (1347, 386, -638) def
bond1 2
atom 8 (1) (-1765, 1339, 966) def
bond1 3
atom 9 (1) (-1605, 1498, -471) def
bond1 3
atom 10 (1) (-1548, -338, -460) def
bond1 4
atom 11 (1) (-1376, -186, -935) def
bond1 4
atom 12 (1) (617, -1774, 518) def
bond1 5
atom 13 (1) (441, -1077, 1288) def
bond1 5
egroup (C4H8S)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part C4H8S