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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1Odoub1.22Å1.23Å
C1C2sing1.42Å1.52Å
C1OXTsing1.35Å1.34Å
C2C3doub1.35Å1.35Å
C3C4sing1.46Å1.34Å
C4C5doub1.34Å1.34Å
C5C6sing1.51Å1.52Å
C6C7sing1.53Å1.54Å
C7C8sing1.53Å1.54Å
C7C9sing1.53Å1.54Å
C2H2sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
C4H4sing1.08Å1.08Å
C5H5sing1.08Å1.08Å
C6H61sing1.09Å1.10Å
C6H62sing1.09Å1.10Å
C7H7sing1.09Å1.10Å
C8H81sing1.09Å1.10Å
C8H82sing1.09Å1.10Å
C8H83sing1.09Å1.10Å
C9H91sing1.09Å1.10Å
C9H92sing1.09Å1.10Å
C9H93sing1.09Å1.10Å
OXTHXTsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OC1C2121.7°120.0°
OC1OXT122.0°120.0°
C2C1OXT116.3°120.0°
C1C2C3129.8°120.0°
C1C2H2115.1°120.0°
C1OXTHXT109.5°114.0°
C2C3C4126.7°120.0°
C3C2H2115.1°120.0°
C2C3H3116.6°120.0°
C3C4C5125.0°120.0°
C4C3H3116.7°120.0°
C3C4H4117.5°120.1°
C4C5C6122.4°120.0°
C5C4H4117.5°119.9°
C4C5H5118.8°120.0°
C5C6C7111.4°109.5°
C6C5H5118.8°120.0°
C5C6H61108.8°109.5°
C5C6H62108.4°109.5°
C6C7C8112.1°109.4°
C6C7C9109.9°109.5°
C7C6H61108.8°109.5°
C7C6H62108.4°109.4°
C6C7H7107.5°109.5°
C8C7C9109.8°109.5°
C8C7H7107.6°109.4°
C7C8H81109.5°109.5°
C7C8H82109.5°109.4°
C7C8H83109.4°109.5°
C9C7H7109.9°109.5°
C7C9H91109.5°109.5°
C7C9H92109.5°109.4°
C7C9H93109.4°109.5°
H61C6H62111.0°109.5°
H81C8H82109.4°109.5°
H81C8H83109.4°109.6°
H82C8H83109.5°109.5°
H91C9H92109.4°109.5°
H91C9H93109.5°109.5°
H92C9H93109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OC1C2OXT179.8°179.8°
OC1C2C335.3°6.7°
OC1C2H2144.7°173.3°
OC1OXTHXT0.0°0.1°
C1C2C3H2180.0°180.0°
C1C2C3C42.2°9.2°
C1C2C3H3177.8°170.8°
C2C1OXTHXT179.8°179.7°
OXTC1C2C3144.9°173.5°
OXTC1C2H235.1°6.5°
C2C3C4H3180.0°180.0°
C2C3C4C5178.2°174.2°
C2C3C4H41.8°5.8°
C3C4C5H4180.0°180.0°
C3C4C5C6179.8°180.0°
C4C3C2H2177.8°170.8°
C3C4C5H50.1°0.0°
C4C5C6H5180.0°180.0°
C4C5C6C796.1°125.0°
C5C4C3H31.8°5.9°
C4C5C6H6123.9°115.0°
C4C5C6H62144.7°5.1°
C5C6C7H61120.0°120.0°
C5C6C7H62119.2°120.0°
C5C6C7C8173.5°65.0°
C5C6C7C964.1°175.0°
C6C5C4H40.2°0.1°
C5C6H61H62119.2°120.0°
C5C6C7H755.5°55.0°
C6C7C8C9122.4°120.0°
C6C7C8H7118.0°120.0°
C6C7C9H7118.1°120.0°
C7C6C5H583.9°55.0°
C7C6H61H62119.2°120.0°
C6C7C8H8121.7°59.9°
C6C7C8H8298.3°60.0°
C6C7C8H83141.7°180.0°
C6C7C9H91103.0°60.1°
C6C7C9H92137.1°180.0°
C6C7C9H9317.0°60.0°
C8C7C9H7118.2°120.0°
C8C7C6H6153.5°55.0°
C8C7C6H6267.3°175.0°
C7C8H81H82120.0°119.9°
C7C8H81H83120.0°120.0°
C7C8H82H83120.0°120.0°
C8C7C9H91133.3°180.0°
C8C7C9H9213.4°60.0°
C8C7C9H93106.7°60.0°
C9C7C6H61175.9°65.0°
C9C7C6H6255.0°55.0°
C9C7C8H81144.1°179.9°
C9C7C8H8224.1°60.0°
C9C7C8H8395.9°60.0°
C7C9H91H92120.0°119.9°
C7C9H91H93120.0°120.0°
C7C9H92H93120.0°120.0°
H2C2C3H32.2°9.2°
H3C3C4H4178.2°174.2°
H4C4C5H5179.8°180.0°
H5C5C6H61156.1°65.0°
H5C5C6H6235.3°175.0°
H61C6C7H764.5°175.0°
H62C6C7H7174.6°65.1°
H7C7C8H8196.3°60.0°
H7C7C8H82143.7°180.0°
H7C7C8H8323.7°60.1°
H7C7C9H9115.2°60.0°
H7C7C9H92104.8°60.0°
H7C7C9H93135.2°180.0°
H81C8H82H83120.0°120.1°
H91C9H92H93120.0°120.1°

246704

PDB entries from 2025-12-24

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