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path: root/sim/src/tests/heteroatom_organics/C3H6NH.mmp
blob: 2d2d15a9838ca63122106896d928572dfb860210 (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) (6.044590) (-0.004000, -0.023500, 0.001000) (1.000000)
egroup (View Data)
group (C3H6NH)
info opengroup open = True
mol (C3H6NH.pdb) def
atom 1 (7) (-229, 1225, 70) def
atom 2 (6) (-243, 285, -1079) def
bond1 1
atom 3 (6) (-278, 85, 1018) def
bond1 1
atom 4 (6) (214, -842, -121) def
bond1 2 3
atom 5 (1) (-1018, 1864, 118) def
bond1 1
atom 6 (1) (426, 562, -1903) def
bond1 2
atom 7 (1) (-1243, 86, -1494) def
bond1 2
atom 8 (1) (363, 198, 1901) def
bond1 3
atom 9 (1) (-1291, -186, 1358) def
bond1 3
atom 10 (1) (-268, -1817, -223) def
bond1 4
atom 11 (1) (1299, -970, -114) def
bond1 4
egroup (C3H6NH)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part C3H6NH