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path: root/sim/src/tests/heteroatom_organics/test_C5H10PH.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) (1.000000, 0.000000, 0.000000, 0.000000) (6.925915) (-0.012000, -0.003000, -0.008000) (1.000000)
egroup (View Data)
group (C5H10PH)
info opengroup open = True
mol (C5H10PH.pdb) def
atom 1 (15) (-359, 1626, 512) def
atom 2 (6) (794, -233, 1310) def
bond1 1
atom 3 (6) (-329, 562, -1925) def
bond1 1
atom 4 (6) (-829, 305, -1255) def
bond1 3
atom 5 (6) (-210, -1698, 1086) def
bond1 2
atom 6 (6) (2, -1595, -416) def
bond1 4 5
atom 7 (1) (948, 2363, -20) def
bond1 1
atom 8 (1) (561, 736, 2192) def
bond1 2
atom 9 (1) (1554, 490, 1237) def
bond1 2
atom 10 (1) (205, 1200, -1949) def
bond1 3
atom 11 (1) (1355, 1182, -1577) def
bond1 3
atom 12 (1) (45, -1254, -2592) def
bond1 4
atom 13 (1) (-1288, -212, -1445) def
bond1 4
atom 14 (1) (206, -1905, 1929) def
bond1 5
atom 15 (1) (-1187, -845, 1171) def
bond1 5
atom 16 (1) (67, -2505, -663) def
bond1 6
atom 17 (1) (1253, -1196, -545) def
bond1 6
egroup (C5H10PH)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part C5H10PH