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XRQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C14C15doub1.38Å1.38ÅAromatic
C14C13sing1.38Å1.38ÅAromatic
C15C16sing1.38Å1.38ÅAromatic
C13C12doub1.38Å1.38ÅAromatic
C16C11doub1.39Å1.39ÅAromatic
C12C11sing1.39Å1.39ÅAromatic
C11C10sing1.48Å1.47Å
C10C9sing1.41Å1.40ÅAromatic
C10N3doub1.32Å1.34ÅAromatic
C9C8doub1.36Å1.41ÅAromatic
N3N4sing1.40Å1.38ÅAromatic
C8N4sing1.36Å1.36ÅAromatic
C8N2sing1.39Å1.38Å
N4C17sing1.40Å1.42Å
N2C1sing1.35Å1.36Å
C17C22doub1.39Å1.38ÅAromatic
C17C18sing1.39Å1.38ÅAromatic
C22C21sing1.38Å1.38ÅAromatic
O1C1doub1.22Å1.22Å
C1C2sing1.48Å1.48Å
C18C19doub1.38Å1.38ÅAromatic
C21C20doub1.38Å1.38ÅAromatic
C2C3doub1.40Å1.39ÅAromatic
C2C7sing1.40Å1.39ÅAromatic
C3C4sing1.38Å1.38ÅAromatic
C19C20sing1.38Å1.37ÅAromatic
C7C6doub1.38Å1.38ÅAromatic
C4C5doub1.38Å1.39ÅAromatic
C6C5sing1.38Å1.39ÅAromatic
C5N1sing1.48Å1.45Å
N1O2doub1.22Å1.22Å
N1O3doub1.22Å1.22Å
C3H1sing1.08Å1.08Å
C7H2sing1.08Å1.08Å
C9H3sing1.08Å1.08Å
C12H4sing1.08Å1.08Å
C13H5sing1.08Å1.08Å
C14H6sing1.08Å1.08Å
C15H7sing1.08Å1.08Å
N2H8sing0.97Å1.00Å
C4H9sing1.08Å1.08Å
C6H10sing1.08Å1.08Å
C16H11sing1.08Å1.08Å
C18H12sing1.08Å1.08Å
C19H13sing1.08Å1.08Å
C20H14sing1.08Å1.08Å
C21H15sing1.08Å1.08Å
C22H16sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C15C14C13119.8°120.2°
C14C15C16120.4°120.1°
C15C14H6120.1°119.8°
C14C15H7119.8°119.9°
C14C13C12120.2°120.2°
C14C13H5119.9°119.9°
C13C14H6120.1°119.9°
C15C16C11120.5°119.9°
C16C15H7119.8°120.0°
C15C16H11119.7°120.0°
C13C12C11120.8°119.9°
C13C12H4119.6°120.1°
C12C13H5119.9°119.9°
C16C11C12118.4°119.8°
C16C11C10121.1°120.1°
C11C16H11119.8°120.0°
C12C11C10120.5°120.1°
C11C12H4119.6°120.1°
C11C10C9130.0°125.9°
C11C10N3119.9°125.9°
C9C10N3110.1°108.2°
C10C9C8105.9°107.8°
C10C9H3127.1°126.1°
C10N3N4107.0°108.3°
C9C8N4106.4°107.6°
C9C8N2129.9°126.2°
C8C9H3127.0°126.1°
N3N4C8110.6°108.0°
N3N4C17119.4°126.0°
N4C8N2123.7°126.2°
C8N4C17129.9°126.0°
C8N2C1123.1°120.0°
C8N2H8118.4°120.0°
N4C17C22119.8°120.1°
N4C17C18119.4°120.1°
N2C1O1122.2°120.0°
N2C1C2116.6°120.0°
C1N2H8118.5°120.0°
C22C17C18120.8°119.8°
C17C22C21119.2°119.9°
C17C22H16120.4°120.1°
C17C18C19119.2°120.0°
C17C18H12120.4°119.9°
C22C21C20120.5°120.1°
C22C21H15119.7°120.0°
C21C22H16120.4°120.0°
O1C1C2120.9°120.0°
C1C2C3120.4°120.2°
C1C2C7120.3°120.2°
C18C19C20120.5°120.1°
C19C18H12120.4°120.1°
C18C19H13119.8°120.0°
C21C20C19119.9°120.1°
C21C20H14120.1°120.0°
C20C21H15119.7°119.9°
C3C2C7119.2°119.7°
C2C3C4121.1°119.8°
C2C3H1119.5°120.1°
C2C7C6121.1°119.9°
C2C7H2119.4°120.0°
C3C4C5118.3°120.2°
C4C3H1119.4°120.1°
C3C4H9120.8°119.9°
C20C19H13119.8°119.9°
C19C20H14120.1°119.9°
C7C6C5118.2°120.1°
C6C7H2119.4°120.1°
C7C6H10120.9°120.0°
C4C5C6122.0°120.3°
C4C5N1118.8°119.9°
C5C4H9120.9°119.9°
C6C5N1119.1°119.8°
C5C6H10120.9°119.9°
C5N1O2118.2°120.0°
C5N1O3118.3°120.0°
O2N1O3123.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C15C14C13H6180.0°179.8°
C14C15C16H7180.0°179.8°
C15C14C13C120.1°0.1°
C14C15C16C110.7°0.5°
C15C14C13H5179.9°180.0°
C14C15C16H11179.4°180.0°
C13C14C15C160.1°0.2°
C14C13C12H5180.0°179.9°
C14C13C12C110.6°0.1°
C14C13C12H4179.3°179.9°
C13C14C15H7179.9°180.0°
C15C16C11H11180.0°179.5°
C15C16C11C121.2°0.5°
C15C16C11C10179.8°179.8°
C16C15C14H6179.8°180.0°
C13C12C11C161.2°0.2°
C13C12C11H4180.0°180.0°
C13C12C11C10179.8°180.0°
C12C13C14H6179.9°179.7°
C16C11C12C10178.7°179.8°
C16C11C10C911.1°0.2°
C16C11C10N3167.6°179.8°
C16C11C12H4178.8°179.8°
C11C16C15H7179.4°179.7°
C12C11C10C9170.3°180.0°
C12C11C10N311.0°0.0°
C11C12C13H5179.4°180.0°
C12C11C16H11178.9°180.0°
C11C10C9N3178.8°180.0°
C11C10C9C8180.0°180.0°
C11C10N3N4179.8°179.8°
C11C10C9H30.1°0.3°
C10C11C12H40.1°0.0°
C10C11C16H110.2°0.2°
C10C9C8H3180.0°179.7°
C9C10N3N41.3°0.2°
C10C9C8N40.6°0.3°
C10C9C8N2179.9°179.7°
N3C10C9C81.2°0.0°
C10N3N4C80.9°0.4°
C10N3N4C17178.4°180.0°
N3C10C9H3178.8°179.7°
C9C8N4N30.2°0.4°
C9C8N4N2179.3°180.0°
C9C8N4C17177.4°180.0°
C9C8N2C1138.9°0.0°
C9C8N2H841.0°180.0°
N3N4C8C17177.2°179.6°
N3N4C8N2179.1°179.6°
N3N4C17C2261.7°35.5°
N3N4C17C18119.4°144.8°
N4C8N2C141.9°180.0°
C8N4C17C22121.3°145.0°
C8N4C17C1857.5°34.7°
N4C8C9H3179.5°180.0°
N4C8N2H8138.1°0.0°
N2C8N4C172.0°0.0°
C8N2C1H8180.0°179.9°
C8N2C1O148.3°0.2°
C8N2C1C2125.0°180.0°
N2C8C9H30.2°0.0°
N4C17C22C18178.8°179.7°
N4C17C22C21179.8°179.7°
N4C17C18C19179.9°179.7°
N4C17C18H120.1°0.4°
N4C17C22H160.2°0.3°
N2C1O1C2173.1°179.7°
N2C1C2C311.7°180.0°
N2C1C2C7165.9°0.3°
C17C22C21H16180.0°180.0°
C22C17C18C191.1°0.1°
C17C22C21C200.4°0.0°
C22C17C18H12178.9°180.0°
C17C22C21H15179.6°179.9°
C18C17C22C210.9°0.0°
C17C18C19H12180.0°179.9°
C17C18C19C200.7°0.0°
C17C18C19H13179.3°180.0°
C18C17C22H16179.1°180.0°
C22C21C20H15180.0°180.0°
C22C21C20C190.0°0.0°
C22C21C20H14180.0°180.0°
O1C1C2C3174.9°0.3°
O1C1C2C77.5°179.5°
O1C1N2H8131.7°179.7°
C1C2C3C7177.7°179.7°
C1C2C3C4179.1°180.0°
C1C2C7C6179.0°180.0°
C1C2C3H11.0°0.0°
C1C2C7H21.0°0.0°
C2C1N2H855.0°0.0°
C18C19C20C210.2°0.0°
C18C19C20H13180.0°180.0°
C18C19C20H14179.8°180.0°
C21C20C19H14180.0°179.9°
C21C20C19H13179.8°180.0°
C20C21C22H16179.6°180.0°
C2C3C4H1180.0°180.0°
C3C2C7C61.3°0.3°
C2C3C4C50.8°0.0°
C3C2C7H2178.7°179.7°
C2C3C4H9179.3°180.0°
C7C2C3C41.4°0.3°
C2C7C6H2180.0°180.0°
C2C7C6C50.6°0.0°
C7C2C3H1178.6°179.8°
C2C7C6H10179.4°180.0°
C3C4C5H9180.0°180.0°
C3C4C5C60.0°0.3°
C3C4C5N1179.8°180.0°
C20C19C18H12179.3°180.0°
C19C20C21H15180.0°179.9°
C7C6C5C40.0°0.3°
C7C6C5H10180.0°180.0°
C7C6C5N1179.9°180.0°
C4C5C6N1179.8°179.7°
C4C5N1O23.5°0.0°
C4C5N1O3175.6°180.0°
C5C4C3H1179.3°179.9°
C4C5C6H10179.9°179.7°
C6C5N1O2176.6°179.7°
C6C5N1O34.3°0.2°
C5C6C7H2179.4°180.0°
C6C5C4H9180.0°179.7°
C5N1O2O3179.0°180.0°
N1C5C4H90.2°0.0°
N1C5C6H100.1°0.0°
H1C3C4H90.7°0.0°
H2C7C6H100.6°0.0°
H4C12C13H50.7°0.0°
H5C13C14H60.1°0.2°
H6C14C15H70.1°0.2°
H7C15C16H110.6°0.2°
H12C18C19H130.7°0.1°
H13C19C20H140.2°0.0°
H14C20C21H150.0°0.0°
H15C21C22H160.4°0.0°

238582

PDB entries from 2025-07-09

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