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path: root/sim/src/tests/heteroatom_organics/test_C_CH3_3_SH.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) (6.589229) (0.367500, 0.116000, -0.000000) (1.000000)
egroup (View Data)
group (C_CH3_3_SH)
info opengroup open = True
mol (C_CH3_3_SH.pdb) cpk
atom 1 (6) (-198, 58, 131) def
atom 2 (6) (-1191, 963, 1593) def
bond1 1
atom 3 (6) (-1069, 1272, -1011) def
bond1 1
atom 4 (6) (-987, -1486, 603) def
bond1 1
atom 5 (16) (1182, -496, 133) def
bond1 1
atom 6 (1) (-431, 621, 2215) def
bond1 2
atom 7 (1) (-119, 112, -2405) def
bond1 3
atom 8 (1) (-590, 1283, 1959) def
bond1 2
atom 9 (1) (-648, 2236, -1658) def
bond1 3
atom 10 (1) (-2190, 1101, 857) def
bond1 2
atom 11 (1) (-2235, 637, -1212) def
bond1 3
atom 12 (1) (-680, -1524, 991) def
bond1 4
atom 13 (1) (-1381, -2234, -591) def
bond1 4
atom 14 (1) (-2317, -925, -176) def
bond1 4
atom 15 (1) (1498, 753, -213) def
bond1 5
egroup (C_CH3_3_SH)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part C_CH3_3_SH