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path: root/sim/src/tests/heteroatom_organics/C4H8NH.mmp
blob: 092a2791ad29b899770f7bbf7b7b68232b1b91ea (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) (6.272305) (-0.052500, -0.077000, -0.035500) (1.000000)
egroup (View Data)
group (C4H8NH)
info opengroup open = True
mol (C4H8NH.pdb) def
atom 1 (7) (348, 1276, 398) def
atom 2 (6) (1154, 121, -18) def
bond1 1
atom 3 (6) (-1082, 982, 146) def
bond1 1
atom 4 (6) (-1137, -526, -200) def
bond1 3
atom 5 (6) (226, -1061, 277) def
bond1 2 4
atom 6 (1) (646, 2134, -52) def
bond1 1
atom 7 (1) (2091, 78, 552) def
bond1 2
atom 8 (1) (1423, 127, -1091) def
bond1 2
atom 9 (1) (-1670, 1207, 1047) def
bond1 3
atom 10 (1) (-1505, 1587, -668) def
bond1 3
atom 11 (1) (-1986, -1036, 264) def
bond1 4
atom 12 (1) (-1222, -657, -1284) def
bond1 4
atom 13 (1) (530, -1980, -232) def
bond1 5
atom 14 (1) (205, -1254, 1355) def
bond1 5
egroup (C4H8NH)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part C4H8NH