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path: root/sim/src/tests/heteroatom_organics/test_CH3NH2.mmp
blob: 22dd8cfca3193260ee5c5dc05aa72e74b2231036 (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) (0.637813, -0.591353, 0.044708, 0.491424) (2.500926) (-0.248000, -0.015000, -0.008000) (1.000000)
egroup (View Data)
group (CH3NH2)
info opengroup open = True
mol (CH3NH2.pdb) def
atom 1 (7) (-844, 94, 327) def
atom 2 (6) (654, -318, -673) def
bond1 1
atom 3 (1) (-609, 556, 1004) def
bond1 1
atom 4 (1) (-621, -304, 912) def
bond1 1
atom 5 (1) (179, -539, -1008) def
bond1 2
atom 6 (1) (1340, -389, 13) def
bond1 2
atom 7 (1) (254, 901, -960) def
bond1 2
egroup (CH3NH2)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part CH3NH2