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path: root/sim/src/tests/amino_acids/his_l_aminoacid.mmp
blob: 6396e2c4a4dc098fd85387f62445cd66052d0127 (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) (0.102615, -0.654325, 0.632374, 0.401788) (8.033081) (-0.152500, -0.121500, -0.383000) (1.000000)
egroup (View Data)
group (his)
info opengroup open = True
mol (his.pdb) cpk
atom 1 (7) (-482, 2110, -208) def
atom 2 (6) (667, 1207, -318) def
bond1 1
atom 3 (6) (1564, 1564, -1517) def
info atom atomtype = sp2
bond1 2
atom 4 (8) (1198, 2268, -2426) def
info atom atomtype = sp2
bond2 3
atom 5 (8) (2799, 1004, -1534) def
bond1 3
atom 6 (6) (176, -262, -452) def
bond1 2
atom 7 (6) (-505, -770, 779) def
info atom atomtype = sp2
bond1 6
atom 8 (6) (-397, -1940, 1498) def
info atom atomtype = sp2
bond2 7
atom 9 (7) (-1265, -1944, 2567) def
info atom atomtype = sp2
bond1 8
atom 10 (6) (-1893, -787, 2500) def
info atom atomtype = sp2
bond2 9
atom 11 (7) (-1479, -43, 1435) def
bond1 7 10
atom 12 (1) (-160, 3025, 104) def
bond1 1
atom 13 (1) (-834, 2267, -1153) def
bond1 1
atom 14 (1) (1257, 1288, 605) def
bond1 2
atom 15 (1) (1020, -921, -682) def
bond1 6
atom 16 (1) (-491, -304, -1326) def
bond1 6
atom 17 (1) (253, -2782, 1298) def
bond1 8
atom 18 (1) (2953, 499, -722) def
bond1 5
atom 19 (1) (-1706, 910, 1166) def
bond1 11
atom 20 (1) (-2648, -439, 3192) def
bond1 10
egroup (his)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part his