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E30

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N11C12sing1.40Å1.42Å
C12C13sing1.39Å1.38ÅAromatic
C12C17doub1.39Å1.38ÅAromatic
C13C14doub1.38Å1.38ÅAromatic
C14C15sing1.40Å1.38ÅAromatic
C15C16doub1.40Å1.38ÅAromatic
C15C18sing1.48Å1.44Å
C16C17sing1.38Å1.38ÅAromatic
C18N19sing1.36Å1.36ÅAromatic
C18N22doub1.32Å1.32ÅAromatic
N19N20sing1.41Å1.34ÅAromatic
N20N21doub1.29Å1.33ÅAromatic
N21N22sing1.28Å1.36ÅAromatic
N11H11sing0.97Å1.00Å
C13H13sing1.08Å1.08Å
C17H17sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
N19H19sing0.97Å1.00Å
N11H2sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N11C12C13117.9°119.9°
N11C12C17123.1°119.9°
C12N11H11109.5°120.0°
C12N11H2109.5°119.9°
C13C12C17119.1°120.1°
C12C13C14121.2°120.1°
C12C13H13119.4°120.0°
C12C17C16119.8°120.1°
C12C17H17120.1°120.0°
C13C14C15119.7°119.9°
C14C13H13119.4°119.9°
C13C14H14120.1°120.1°
C14C15C16119.1°119.9°
C14C15C18121.0°120.1°
C15C14H14120.1°120.0°
C16C15C18119.9°120.0°
C15C16C17121.1°119.9°
C15C16H16119.5°120.1°
C15C18N19124.6°126.5°
C15C18N22127.5°126.5°
C16C17H17120.1°120.0°
C17C16H16119.4°120.0°
N19C18N22107.8°107.1°
C18N19N20109.7°105.1°
C18N19H19125.2°127.4°
C18N22N21106.4°110.5°
N19N20N21105.3°106.9°
N20N19H19125.1°127.4°
N20N21N22110.8°110.4°
H11N11H2109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N11C12C13C17179.6°179.8°
N11C12C13C14179.8°180.0°
N11C12C17C16179.3°179.8°
C12N11H11H2120.0°179.7°
N11C12C13H130.2°0.0°
N11C12C17H170.6°0.0°
C12C13C14H13180.0°180.0°
C12C13C14C150.0°0.0°
C13C12C17C161.1°0.5°
C13C12N11H11180.0°0.0°
C13C12C17H17178.9°179.8°
C12C13C14H14180.0°180.0°
C13C12N11H259.9°179.7°
C17C12C13C140.6°0.2°
C12C17C16C150.8°0.5°
C12C17C16H17180.0°179.7°
C17C12N11H110.4°179.7°
C17C12C13H13179.4°179.7°
C12C17C16H16179.2°179.7°
C17C12N11H2119.6°0.6°
C13C14C15H14180.0°180.0°
C13C14C15C160.3°0.0°
C13C14C15C18177.5°180.0°
C14C15C16C18177.8°180.0°
C14C15C16C170.2°0.2°
C14C15C18N1923.7°180.0°
C14C15C18N22154.7°0.3°
C15C14C13H13179.9°180.0°
C14C15C16H16179.9°180.0°
C15C16C17H16180.0°179.8°
C16C15C18N19158.5°0.0°
C16C15C18N2223.1°179.7°
C15C16C17H17179.2°179.8°
C16C15C14H14179.7°180.0°
C18C15C16C17178.0°179.8°
C15C18N19N22178.7°179.8°
C15C18N19N20179.3°180.0°
C15C18N22N21179.0°179.9°
C18C15C14H142.5°0.0°
C18C15C16H162.0°0.0°
C15C18N19H190.8°0.0°
C18N19N20H19180.0°180.0°
C18N19N20N210.6°0.0°
N19C18N22N210.3°0.4°
N22C18N19N200.6°0.2°
C18N22N21N200.0°0.4°
N22C18N19H19179.5°179.8°
N19N20N21N220.4°0.2°
N21N20N19H19179.4°180.0°
H13C13C14H140.1°0.0°
H17C17C16H160.8°0.0°

222415

PDB entries from 2024-07-10

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