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path: root/sim/src/tests/heteroatom_organics/C4H8BH.mmp
blob: f870e2a7e3e4c4963f2fb00f1787487ff23c2290 (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) (461, 959, -10) def
atom 2 (6) (158, 56, -1263) def
bond1 1
atom 3 (6) (290, 65, 1273) def
bond1 1
atom 4 (6) (-383, -1232, 758) def
bond1 3
atom 5 (6) (104, -1387, -699) def
bond1 2 4
atom 6 (1) (766, 2115, -31) def
bond1 1
atom 7 (1) (792, 185, -2146) def
bond1 2
atom 8 (1) (-855, 370, -1584) def
bond1 2
atom 9 (1) (1329, -153, 1590) def
bond1 3
atom 10 (1) (-188, 519, 2148) def
bond1 3
atom 11 (1) (-1474, -1098, 766) def
bond1 4
atom 12 (1) (-169, -2115, 1370) def
bond1 4
atom 13 (1) (-525, -2066, -1286) def
bond1 5
atom 14 (1) (1117, -1811, -702) def
bond1 5
egroup (C4H8BH)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part C4H8BH