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6P3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C4C3doub1.38Å1.41ÅAromatic
C4C5sing1.38Å1.42ÅAromatic
C3C2sing1.38Å1.42ÅAromatic
C5C6doub1.38Å1.42ÅAromatic
C2C1doub1.39Å1.42ÅAromatic
C6C1sing1.39Å1.42ÅAromatic
C1C12sing1.48Å1.50Å
C12N13doub1.33Å1.40ÅAromatic
C12C17sing1.40Å1.41ÅAromatic
N13C14sing1.32Å1.36ÅAromatic
C17C16doub1.38Å1.42ÅAromatic
C14C15doub1.40Å1.41ÅAromatic
C16C15sing1.40Å1.42ÅAromatic
C15C21sing1.48Å1.48Å
C21O22doub1.22Å1.19Å
C21O23sing1.35Å1.35Å
C2H1sing1.08Å1.08Å
C3H2sing1.08Å1.08Å
C4H3sing1.08Å1.08Å
C5H4sing1.08Å1.08Å
C6H5sing1.08Å1.08Å
C14H6sing1.08Å1.08Å
C16H7sing1.08Å1.08Å
C17H8sing1.08Å1.08Å
O23H9sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C3C4C5119.1°120.3°
C4C3C2120.2°120.1°
C4C3H2119.9°119.9°
C3C4H3120.5°119.9°
C4C5C6120.3°120.1°
C5C4H3120.5°119.9°
C4C5H4119.9°120.0°
C3C2C1121.5°119.9°
C3C2H1119.3°120.1°
C2C3H2119.9°120.0°
C5C6C1121.5°119.9°
C6C5H4119.9°120.0°
C5C6H5119.3°120.0°
C2C1C6117.6°119.7°
C2C1C12119.5°120.2°
C1C2H1119.3°120.0°
C6C1C12122.9°120.1°
C1C6H5119.3°120.1°
C1C12N13117.5°119.6°
C1C12C17124.4°119.6°
N13C12C17118.1°120.8°
C12N13C14122.4°121.8°
C12C17C16119.8°119.2°
C12C17H8120.1°120.4°
N13C14C15121.7°120.7°
N13C14H6119.1°119.7°
C17C16C15120.8°118.4°
C17C16H7119.6°120.8°
C16C17H8120.1°120.4°
C14C15C16117.2°119.1°
C14C15C21120.2°120.4°
C15C14H6119.2°119.7°
C16C15C21122.6°120.5°
C15C16H7119.6°120.8°
C15C21O22120.8°120.0°
C15C21O23116.9°120.0°
O22C21O23122.4°120.0°
C21O23H9109.5°117.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C3C4C5H3180.0°179.9°
C4C3C2H2180.0°180.0°
C3C4C5C60.2°0.2°
C4C3C2C10.1°0.1°
C4C3C2H1179.9°180.0°
C3C4C5H4179.8°180.0°
C5C4C3C20.2°0.0°
C4C5C6H4180.0°179.8°
C4C5C6C10.1°0.5°
C5C4C3H2179.9°180.0°
C4C5C6H5179.9°179.9°
C3C2C1H1180.0°179.9°
C3C2C1C60.1°0.1°
C3C2C1C12179.3°180.0°
C2C3C4H3179.9°179.9°
C5C6C1C20.1°0.4°
C5C6C1H5180.0°179.6°
C5C6C1C12179.3°179.8°
C6C5C4H3179.9°179.8°
C2C1C6C12179.3°179.8°
C2C1C12N1326.3°0.0°
C2C1C12C17154.0°179.7°
C1C2C3H2179.9°180.0°
C2C1C6H5179.9°180.0°
C6C1C12N13152.9°179.8°
C6C1C12C1726.7°0.5°
C6C1C2H1179.9°179.8°
C1C6C5H4179.8°179.8°
C1C12N13C17179.7°179.7°
C1C12N13C14179.4°180.0°
C1C12C17C16179.4°179.7°
C12C1C2H10.6°0.0°
C12C1C6H50.7°0.2°
C1C12C17H80.6°0.0°
N13C12C17C160.2°0.6°
C12N13C14C150.1°0.0°
C12N13C14H6180.0°180.0°
N13C12C17H8179.8°179.8°
C17C12N13C140.2°0.3°
C12C17C16H8180.0°179.7°
C12C17C16C150.0°0.6°
C12C17C16H7180.0°179.7°
N13C14C15H6180.0°180.0°
N13C14C15C160.1°0.0°
N13C14C15C21179.4°180.0°
C17C16C15C140.1°0.3°
C17C16C15H7180.0°179.8°
C17C16C15C21179.4°179.8°
C14C15C16C21179.5°180.0°
C14C15C21O2221.4°180.0°
C14C15C21O23159.5°0.0°
C14C15C16H7179.9°179.9°
C16C15C21O22158.1°0.0°
C16C15C21O2321.0°180.0°
C16C15C14H6179.9°180.0°
C15C16C17H8179.9°179.8°
C15C21O22O23179.0°180.0°
C21C15C14H60.6°0.0°
C21C15C16H70.6°0.0°
C15C21O23H9179.1°180.0°
O22C21O23H90.0°0.0°
H1C2C3H20.1°0.0°
H2C3C4H30.1°0.1°
H3C4C5H40.2°0.1°
H4C5C6H50.2°0.2°
H7C16C17H80.1°0.0°

222036

PDB entries from 2024-07-03

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