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path: root/sim/src/tests/heteroatom_organics/test_C4H8BH.mmp
blob: dda5996fbf61556cbca8b0e8647f41a54b9690a6 (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) (6.415266) (0.072500, -0.000000, -0.001000) (1.000000)
egroup (View Data)
group (C4H8BH)
info opengroup open = True
mol (C4H8BH.pdb) def
atom 1 (5) (592, 1160, -82) def
atom 2 (6) (474, -379, -948) def
bond1 1
atom 3 (6) (393, 581, 1018) def
bond1 1
atom 4 (6) (-268, -1598, 358) def
bond1 3
atom 5 (6) (-246, -1569, -575) def
bond1 2 4
atom 6 (1) (1183, 1769, 112) def
bond1 1
atom 7 (1) (645, 189, -2076) def
bond1 2
atom 8 (1) (-634, 521, -1601) def
bond1 2
atom 9 (1) (1081, -12, 1234) def
bond1 3
atom 10 (1) (103, 717, 1788) def
bond1 3
atom 11 (1) (-1000, -802, 714) def
bond1 4
atom 12 (1) (-260, -2335, 1352) def
bond1 4
atom 13 (1) (20, -1747, -1613) def
bond1 5
atom 14 (1) (671, -1776, -655) def
bond1 5
egroup (C4H8BH)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part C4H8BH