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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N2C1doub1.33Å1.34ÅAromatic
C1N3sing1.38Å1.33ÅAromatic
C1C2sing1.41Å1.38ÅAromatic
C13F1sing1.35Å1.35Å
C4N1doub1.33Å1.34ÅAromatic
N1C3sing1.32Å1.32ÅAromatic
O1C20sing1.36Å1.37Å
O1C23sing1.43Å1.44Å
C2C3doub1.40Å1.39ÅAromatic
C2N4sing1.36Å1.33ÅAromatic
N2C4sing1.32Å1.35ÅAromatic
C3H3sing1.08Å1.08Å
C6N3sing1.46Å1.48Å
N3C5sing1.37Å1.33ÅAromatic
N5C4sing1.39Å1.33Å
C5N4doub1.31Å1.33ÅAromatic
C5N6sing1.38Å1.34Å
C7N5sing1.40Å1.34Å
N5HN5sing0.97Å1.00Å
C12C6sing1.54Å1.55Å
C6C9sing1.54Å1.53Å
C6H6sing1.09Å1.10Å
N6C8sing1.40Å1.34Å
N6HN6sing0.97Å1.00Å
C18C7doub1.39Å1.39ÅAromatic
C7C22sing1.39Å1.39ÅAromatic
C17C8doub1.39Å1.39ÅAromatic
C8C13sing1.39Å1.40ÅAromatic
C10C9sing1.54Å1.53Å
C9H9sing1.09Å1.10Å
C9H9Asing1.09Å1.10Å
C11C10sing1.55Å1.53Å
C10H10sing1.09Å1.10Å
C10H10Asing1.09Å1.10Å
C11C12sing1.55Å1.53Å
C11H11sing1.09Å1.10Å
C11H11Asing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
C13C14doub1.38Å1.39ÅAromatic
C15C14sing1.38Å1.40ÅAromatic
C14H14sing1.08Å1.08Å
C16C15doub1.38Å1.39ÅAromatic
C15H15sing1.08Å1.08Å
C17C16sing1.38Å1.40ÅAromatic
C16H16sing1.08Å1.08Å
C17H17sing1.08Å1.08Å
C19C18sing1.38Å1.39ÅAromatic
C18H18sing1.08Å1.08Å
C19C20doub1.39Å1.39ÅAromatic
C19H19sing1.08Å1.08Å
C20C21sing1.39Å1.39ÅAromatic
C21C22doub1.38Å1.39ÅAromatic
C21H21sing1.08Å1.08Å
C22H22sing1.08Å1.08Å
C23H23sing1.09Å1.10Å
C23H23Asing1.09Å1.10Å
C23H23Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N2C1N3134.3°134.8°
N2C1C2119.6°119.1°
C1N2C4119.9°120.4°
N3C1C2106.1°106.1°
C1N3C6125.0°126.3°
C1N3C5108.9°107.4°
C1C2C3118.9°118.4°
C1C2N4108.1°107.2°
F1C13C8120.2°120.1°
F1C13C14119.4°120.0°
C4N1C3121.5°121.2°
N1C4N2120.7°122.2°
N1C4N5117.8°118.9°
N1C3C2119.3°118.7°
N1C3H3120.4°120.7°
C20O1C23111.8°117.0°
O1C20C19119.8°120.0°
O1C20C21120.5°120.0°
O1C23H23109.5°109.5°
O1C23H23A109.5°109.5°
O1C23H23B109.4°109.5°
C3C2N4133.0°134.5°
C2C3H3120.3°120.7°
C2N4C5107.5°109.4°
N2C4N5121.5°118.9°
C6N3C5126.1°126.3°
N3C6C12109.8°110.0°
N3C6C9109.7°110.1°
N3C6H6107.8°110.0°
N3C5N4109.3°109.8°
N3C5N6125.7°125.1°
C4N5C7124.8°120.0°
C4N5HN5117.6°120.0°
N4C5N6125.0°125.1°
C5N6C8123.4°120.0°
C5N6HN6118.3°120.0°
C7N5HN5117.6°120.0°
N5C7C18121.3°120.1°
N5C7C22119.1°120.0°
C12C6C9105.0°106.6°
C12C6H6112.3°110.0°
C6C12C11106.7°104.2°
C6C12H12110.4°110.5°
C6C12H12A110.4°110.5°
C9C6H6112.3°110.0°
C6C9C10103.7°106.6°
C6C9H9111.4°110.0°
C6C9H9A111.4°110.0°
C8N6HN6118.3°120.0°
N6C8C17119.5°120.1°
N6C8C13121.1°120.1°
C18C7C22119.6°119.9°
C7C18C19120.3°120.0°
C7C18H18119.9°120.0°
C7C22C21120.2°120.0°
C7C22H22119.9°120.0°
C17C8C13119.4°119.8°
C8C17C16120.3°120.0°
C8C17H17119.8°120.0°
C8C13C14120.4°119.9°
C10C9H9111.5°110.0°
C10C9H9A111.4°110.0°
C9C10C11103.5°104.2°
C9C10H10111.5°110.5°
C9C10H10A111.5°110.5°
H9C9H9A107.4°110.1°
C11C10H10111.5°110.5°
C11C10H10A111.5°110.6°
C10C11C12105.0°102.7°
C10C11H11111.0°110.8°
C10C11H11A111.0°110.7°
H10C10H10A107.4°110.5°
C12C11H11111.0°110.8°
C12C11H11A111.0°110.7°
C11C12H12110.4°110.5°
C11C12H12A110.4°110.5°
H11C11H11A107.9°110.8°
H12C12H12A108.5°110.6°
C13C14C15120.1°120.1°
C13C14H14120.0°120.0°
C15C14H14120.0°120.0°
C14C15C16119.7°120.1°
C14C15H15120.1°119.9°
C16C15H15120.1°120.0°
C15C16C17120.0°120.1°
C15C16H16120.0°119.9°
C17C16H16120.0°119.9°
C16C17H17119.8°120.0°
C19C18H18119.8°120.0°
C18C19C20119.9°120.0°
C18C19H19120.1°120.0°
C20C19H19120.0°120.0°
C19C20C21119.7°120.0°
C20C21C22120.2°120.0°
C20C21H21119.9°120.0°
C22C21H21119.9°120.0°
C21C22H22119.9°120.0°
H23C23H23A109.5°109.4°
H23C23H23B109.5°109.5°
H23AC23H23B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N2C1N3C2179.1°179.8°
C1N2C4N10.1°0.1°
N2C1C2C30.1°0.2°
N2C1C2N4179.7°179.8°
N2C1N3C60.9°0.2°
N2C1N3C5179.4°179.7°
C1N2C4N5179.1°179.9°
N3C1C2C3179.4°180.0°
N3C1C2N40.4°0.1°
N3C1N2C4179.1°180.0°
C1N3C6C5179.6°179.9°
C1N3C5N40.0°0.0°
C1N3C5N6180.0°180.0°
C1N3C6C1269.7°122.8°
C1N3C6C945.2°120.0°
C1N3C6H6167.7°1.4°
C1C2C3N10.0°0.0°
C1C2C3N4179.7°179.9°
C2C1N2C40.0°0.3°
C1C2C3H3180.0°179.8°
C2C1N3C6179.9°180.0°
C2C1N3C50.2°0.1°
C1C2N4C50.3°0.1°
F1C13C8N61.4°0.1°
F1C13C8C17179.2°179.8°
F1C13C8C14179.8°179.9°
F1C13C14C15179.8°180.0°
F1C13C14H140.2°0.1°
C4N1C3C20.1°0.2°
N1C4N2N5179.0°179.8°
C4N1C3H3179.9°180.0°
N1C4N5C7167.9°6.2°
N1C4N5HN512.0°173.9°
N1C3C2H3180.0°179.8°
N1C3C2N4179.6°180.0°
C3N1C4N20.1°0.1°
C3N1C4N5179.2°179.7°
O1C20C19C18180.0°180.0°
O1C20C19C21179.8°180.0°
O1C20C19H190.1°0.1°
O1C20C21C22179.8°179.7°
O1C20C21H210.2°0.0°
C20O1C23H23180.0°180.0°
C20O1C23H23A60.0°60.0°
C20O1C23H23B60.0°60.0°
C23O1C20C19178.0°180.0°
C23O1C20C212.2°0.0°
O1C23H23H23A120.0°120.0°
O1C23H23H23B120.0°120.0°
O1C23H23AH23B120.0°120.0°
C3C2N4C5179.3°180.0°
N4C2C3H30.4°0.2°
C2N4C5N30.2°0.0°
C2N4C5N6179.8°180.0°
N2C4N5C713.0°173.9°
N2C4N5HN5167.0°6.0°
C6N3C5N4179.7°180.0°
C6N3C5N60.3°0.0°
N3C6C12C9117.9°119.3°
N3C6C12H6119.8°121.3°
N3C6C9H6119.8°121.4°
N3C6C9C10149.1°119.3°
N3C6C9H990.9°121.5°
N3C6C9H9A29.1°0.0°
N3C6C12C11128.0°143.0°
N3C6C12H128.0°24.3°
N3C6C12H12A112.0°98.4°
N3C5N4N6180.0°180.0°
C5N3C6C12109.9°57.2°
C5N3C6C9135.2°60.1°
C5N3C6H612.6°178.5°
N3C5N6C8177.5°179.5°
N3C5N6HN62.5°0.5°
C4N5C7HN5180.0°179.9°
C4N5C7C1854.9°36.8°
C4N5C7C22126.7°143.4°
N4C5N6C82.5°0.5°
N4C5N6HN6177.5°179.5°
C5N6C8HN6180.0°180.0°
C5N6C8C17122.8°9.4°
C5N6C8C1359.3°170.8°
N5C7C18C22178.3°179.8°
N5C7C18C19179.0°180.0°
N5C7C18H181.0°0.0°
N5C7C22C21179.0°179.7°
N5C7C22H221.0°0.0°
HN5N5C7C18125.1°143.1°
HN5N5C7C2253.3°36.7°
C12C6C9H6122.3°119.3°
C12C6C9C1031.2°0.0°
C12C6C9H9151.2°119.2°
C12C6C9H9A88.8°119.3°
C6C12C11C1014.9°38.0°
C6C12C11H12120.0°118.7°
C6C12C11H12A120.0°118.6°
C6C12C11H11134.9°80.4°
C6C12C11H11A105.1°156.2°
C6C12H12H12A121.1°122.6°
C6C9C10H9120.0°119.3°
C6C9C10H9A120.0°119.3°
C6C9H9H9A122.3°121.4°
C6C9C10C1140.7°23.6°
C6C9C10H1079.3°142.3°
C6C9C10H10A160.7°95.2°
C9C6C12C1110.1°23.6°
C9C6C12H12109.9°95.1°
C9C6C12H12A130.1°142.2°
H6C6C9C1091.1°119.3°
H6C6C9H929.0°0.1°
H6C6C9H9A149.0°121.4°
H6C6C12C11112.2°95.7°
H6C6C12H12127.8°145.6°
H6C6C12H12A7.8°22.9°
N6C8C17C13177.9°179.8°
N6C8C13C14178.8°180.0°
N6C8C17C16179.2°179.8°
N6C8C17H170.8°0.1°
HN6N6C8C1757.2°170.6°
HN6N6C8C13120.7°9.2°
C7C18C19H18180.0°180.0°
C7C18C19C200.5°0.1°
C7C18C19H19179.5°180.0°
C18C7C22C210.6°0.5°
C18C7C22H22179.4°179.7°
C22C7C18C190.7°0.2°
C22C7C18H18179.3°179.8°
C7C22C21C200.3°0.5°
C7C22C21H22180.0°179.8°
C7C22C21H21179.7°179.7°
C17C8C13C141.0°0.2°
C8C17C16C150.7°0.4°
C8C17C16H17180.0°179.9°
C8C17C16H16179.3°179.8°
C8C13C14C150.0°0.1°
C8C13C14H14179.9°180.0°
C13C8C17C161.3°0.4°
C13C8C17H17178.7°179.7°
C10C9H9H9A122.3°121.4°
C9C10C11H10120.0°118.6°
C9C10C11H10A120.0°118.7°
C9C10H10H10A122.4°122.6°
C9C10C11C1234.2°38.0°
C9C10C11H11154.2°80.4°
C9C10C11H11A85.8°156.3°
H9C9C10C11160.7°95.6°
H9C9C10H1040.7°23.0°
H9C9C10H10A79.3°145.6°
H9AC9C10C1179.3°142.9°
H9AC9C10H10160.7°98.4°
H9AC9C10H10A40.7°24.1°
C11C10H10H10A122.4°122.7°
C10C11C12H11120.0°118.4°
C10C11C12H11A120.0°118.2°
C10C11H11H11A121.8°123.3°
C10C11C12H12134.9°80.7°
C10C11C12H12A105.1°156.6°
H10C10C11C1285.8°156.6°
H10C10C11H1134.2°38.2°
H10C10C11H11A154.3°85.1°
H10AC10C11C12154.2°80.7°
H10AC10C11H1185.8°160.9°
H10AC10C11H11A34.2°37.5°
C12C11H11H11A121.9°123.4°
C11C12H12H12A121.2°122.6°
H11C11C12H12105.2°161.0°
H11C11C12H12A14.9°38.2°
H11AC11C12H1214.9°37.5°
H11AC11C12H12A134.9°85.2°
C13C14C15H14180.0°180.0°
C13C14C15C160.6°0.1°
C13C14C15H15179.4°179.9°
C14C15C16H15180.0°179.9°
C14C15C16C170.2°0.2°
C14C15C16H16179.7°180.0°
H14C14C15C16179.4°180.0°
H14C14C15H150.6°0.1°
C15C16C17H16180.0°179.8°
C15C16C17H17179.3°179.7°
H15C15C16C17179.8°179.9°
H15C15C16H160.2°0.1°
H16C16C17H170.7°0.1°
C18C19C20H19180.0°179.9°
C18C19C20C210.2°0.0°
H18C18C19C20179.5°180.0°
H18C18C19H190.5°0.1°
C19C20C21C220.1°0.3°
C19C20C21H21180.0°180.0°
H19C19C20C21179.8°179.9°
C20C21C22H21180.0°179.7°
C20C21C22H22179.7°179.7°
H21C21C22H220.3°0.0°
H23C23H23AH23B120.0°120.0°

248636

PDB entries from 2026-02-04

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