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8ZX

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C6C3doub1.38Å1.40ÅAromatic
C6C7sing1.39Å1.39ÅAromatic
O2C7sing1.36Å1.40Å
O2C8sing1.43Å1.43Å
C3C1sing1.40Å1.38ÅAromatic
C7C5doub1.39Å1.38ÅAromatic
N1C4sing1.35Å1.34Å
C1C4sing1.48Å1.50Å
C1C2doub1.40Å1.39ÅAromatic
C5C2sing1.38Å1.41ÅAromatic
C4O1doub1.22Å1.23Å
N1H1sing0.97Å1.00Å
N1H2sing0.97Å1.00Å
C3H3sing1.08Å1.08Å
C6H4sing1.08Å1.08Å
C8H5sing1.09Å1.10Å
C8H6sing1.09Å1.10Å
C8H7sing1.09Å1.10Å
C5H8sing1.08Å1.08Å
C2H9sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C3C6C7121.6°120.1°
C6C3C1120.2°119.9°
C6C3H3119.9°120.0°
C3C6H4119.2°119.9°
C6C7O2121.2°119.9°
C6C7C5118.1°120.2°
C7C6H4119.2°120.0°
C7O2C8125.1°117.0°
O2C7C5120.7°119.9°
O2C8H5109.5°109.5°
O2C8H6109.5°109.5°
O2C8H7109.5°109.5°
C3C1C4122.4°120.1°
C3C1C2118.3°119.8°
C1C3H3119.9°120.1°
C7C5C2120.6°120.1°
C7C5H8119.7°120.0°
N1C4C1120.4°120.0°
N1C4O1122.9°120.0°
C4N1H1120.0°120.0°
C4N1H2120.0°120.0°
C4C1C2119.2°120.1°
C1C4O1116.7°120.0°
C1C2C5121.1°119.9°
C1C2H9119.4°120.0°
C2C5H8119.7°120.0°
C5C2H9119.4°120.0°
H1N1H2120.0°120.0°
H5C8H6109.5°109.5°
H5C8H7109.5°109.4°
H6C8H7109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C3C6C7H4180.0°179.9°
C3C6C7O2179.9°180.0°
C6C3C1H3180.0°179.9°
C3C6C7C50.3°0.0°
C6C3C1C4178.8°180.0°
C6C3C1C20.8°0.3°
C6C7O2C5179.8°180.0°
C6C7O2C8152.1°180.0°
C7C6C3C10.2°0.0°
C6C7C5C20.5°0.2°
C7C6C3H3179.8°179.9°
C6C7C5H8179.5°179.9°
O2C7C5C2179.3°179.7°
O2C7C6H40.1°0.1°
C7O2C8H5180.0°60.0°
C7O2C8H660.0°60.0°
C7O2C8H760.0°180.0°
O2C7C5H80.7°0.0°
C8O2C7C528.1°0.0°
O2C8H5H6120.0°120.1°
O2C8H5H7120.0°120.0°
O2C8H6H7120.0°120.0°
C3C1C4N10.3°0.1°
C3C1C4C2178.1°179.6°
C3C1C2C51.5°0.6°
C3C1C4O1178.6°179.7°
C1C3C6H4179.8°179.9°
C3C1C2H9178.4°179.7°
C7C5C2C11.4°0.6°
C7C5C2H8180.0°179.7°
C5C7C6H4179.7°180.0°
C7C5C2H9178.6°179.8°
N1C4C1O1178.2°179.8°
N1C4C1C2177.7°179.7°
C4N1H1H2180.0°179.9°
C4C1C2C5179.7°179.8°
C1C4N1H1178.1°179.7°
C1C4N1H21.9°0.2°
C4C1C3H31.2°0.1°
C4C1C2H90.3°0.1°
C1C2C5H9180.0°179.6°
C2C1C4O10.5°0.1°
C2C1C3H3179.3°179.8°
C1C2C5H8178.6°179.8°
O1C4N1H10.0°0.1°
O1C4N1H2180.0°180.0°
H3C3C6H40.2°0.0°
H5C8H6H7120.0°119.9°
H8C5C2H91.5°0.1°

223166

PDB entries from 2024-07-31

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