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path: root/sim/src/tests/heteroatom_organics/test_CH3BHCH3.mmp
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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) (0.773200, -0.146735, -0.527464, 0.320018) (2.850967) (0.007500, -0.024500, 0.016000) (1.000000)
egroup (View Data)
group (CH3BHCH3)
info opengroup open = True
mol (CH3BHCH3.pdb) def
atom 1 (5) (535, 439, 462) def
atom 2 (6) (170, -465, 1589) def
bond1 1
atom 3 (6) (-27, -489, -1941) def
bond1 1
atom 4 (1) (1446, 840, -797) def
bond1 1
atom 5 (1) (-506, -1378, 1417) def
bond1 2
atom 6 (1) (-208, 840, 1967) def
bond1 2
atom 7 (1) (722, -485, 1970) def
bond1 2
atom 8 (1) (-1046, -1229, -747) def
bond1 3
atom 9 (1) (456, -1011, -1461) def
bond1 3
atom 10 (1) (-492, 496, -1711) def
bond1 3
egroup (CH3BHCH3)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part CH3BHCH3