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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2N1sing1.36Å1.36ÅAromatic
N1N5sing1.40Å1.35ÅAromatic
C3C2doub1.36Å1.43ÅAromatic
N6C2sing1.39Å1.47Å
C3C4sing1.40Å1.43ÅAromatic
C3H3sing1.08Å1.08Å
C7C4sing1.51Å1.55Å
C4N5doub1.31Å1.35ÅAromatic
C15N6sing1.38Å1.38Å
N6HN6sing0.97Å1.00Å
C9C7sing1.53Å1.49Å
C8C7sing1.53Å1.50Å
C7H7sing1.09Å1.10Å
C9C8sing1.53Å1.49Å
C8H8sing1.09Å1.10Å
C8H8Asing1.09Å1.10Å
C9H9sing1.09Å1.10Å
C9H9Asing1.09Å1.10Å
N14C10sing1.35Å1.37ÅAromatic
C10C11doub1.36Å1.41ÅAromatic
C10H10sing1.08Å1.08Å
C11C12sing1.40Å1.39ÅAromatic
C11H11sing1.08Å1.08Å
C13C12doub1.38Å1.44ÅAromatic
C12H12sing1.08Å1.08Å
N14C13sing1.38Å1.39ÅAromatic
C13C15sing1.41Å1.41ÅAromatic
N17N14sing1.40Å1.38ÅAromatic
N16C15doub1.32Å1.37ÅAromatic
C18N16sing1.34Å1.34ÅAromatic
N17C18doub1.31Å1.35ÅAromatic
N23C18sing1.39Å1.35Å
C20C19sing1.55Å1.51Å
C19N23sing1.47Å1.44Å
C19H19sing1.09Å1.10Å
C19H19Asing1.09Å1.10Å
C20C21sing1.55Å1.53Å
C20H20sing1.09Å1.10Å
C20H20Asing1.09Å1.10Å
C21C22sing1.54Å1.53Å
C21H21sing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
C27C22sing1.53Å1.55Å
C22N23sing1.47Å1.47Å
C22C24sing1.51Å1.57Å
C24O26doub1.21Å1.23Å
C24N25sing1.35Å1.37Å
N25C28sing1.40Å1.36Å
N25HN25sing0.97Å1.00Å
C27H27sing1.09Å1.10Å
C27H27Asing1.09Å1.10Å
C27H27Bsing1.09Å1.10Å
C28C29doub1.39Å1.42ÅAromatic
C28C33sing1.39Å1.40ÅAromatic
C29C30sing1.38Å1.39ÅAromatic
C29H29sing1.08Å1.08Å
C30C31doub1.39Å1.39ÅAromatic
C30H30sing1.08Å1.08Å
N32C31sing1.32Å1.38ÅAromatic
C31F34sing1.35Å1.35Å
C33N32doub1.32Å1.36ÅAromatic
C33H33sing1.08Å1.08Å
N1HN1sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1N5111.3°107.8°
N1C2C3103.9°107.5°
N1C2N6123.7°126.2°
C2N1HN1124.4°126.1°
N1N5C4111.2°108.4°
N5N1HN1124.3°126.1°
C3C2N6132.5°126.3°
C2C3C4109.3°107.8°
C2C3H3125.3°126.0°
C2N6C15130.8°120.0°
C2N6HN6114.6°120.0°
C4C3H3125.4°126.1°
C3C4C7129.4°125.7°
C3C4N5104.3°108.5°
C7C4N5126.3°125.8°
C4C7C9103.3°117.5°
C4C7C891.3°117.5°
C4C7H7113.5°115.5°
C15N6HN6114.6°120.1°
N6C15C13116.7°120.4°
N6C15N16120.9°120.3°
C9C7C859.9°60.0°
C9C7H7132.9°117.5°
C7C9C860.4°60.0°
C7C9H9130.6°117.5°
C7C9H9A130.7°117.5°
C8C7H7142.2°117.5°
C7C8C959.7°60.0°
C7C8H8131.1°117.5°
C7C8H8A131.1°117.5°
C9C8H8131.1°117.5°
C9C8H8A131.1°117.5°
C8C9H9130.6°117.5°
C8C9H9A130.7°117.5°
H8C8H8A81.5°115.5°
H9C9H9A82.1°115.6°
N14C10C11110.1°109.1°
N14C10H10125.0°125.4°
C10N14C13106.8°108.5°
C10N14N17132.8°133.0°
C11C10H10125.0°125.5°
C10C11C12108.2°107.9°
C10C11H11125.9°126.0°
C12C11H11125.9°126.1°
C11C12C13105.1°106.8°
C11C12H12127.4°126.6°
C13C12H12127.5°126.6°
C12C13N14109.8°107.7°
C12C13C15134.8°133.7°
N14C13C15115.4°118.7°
C13N14N17120.4°118.4°
C13C15N16122.4°119.3°
N14N17C18122.3°120.0°
C15N16C18120.7°121.5°
N16C18N17118.8°122.1°
N16C18N23120.5°119.0°
N17C18N23120.7°119.0°
C18N23C19121.2°125.6°
C18N23C22123.6°125.7°
C20C19N23105.2°104.8°
C20C19H19110.9°110.3°
C20C19H19A110.9°110.5°
C19C20C21104.1°101.6°
C19C20H20111.3°111.0°
C19C20H20A111.3°111.0°
N23C19H19110.9°110.4°
N23C19H19A110.9°110.4°
C19N23C22115.2°108.7°
H19C19H19A108.0°110.4°
C21C20H20111.3°111.0°
C21C20H20A111.3°111.0°
C20C21C22108.9°102.9°
C20C21H21109.7°110.8°
C20C21H21A109.7°110.7°
H20C20H20A107.6°110.9°
C22C21H21109.6°110.7°
C22C21H21A109.7°110.7°
C21C22C27111.3°109.9°
C21C22N23101.6°107.3°
C21C22C24104.1°109.9°
H21C21H21A109.3°110.8°
C27C22N23109.6°109.9°
C27C22C24112.4°110.0°
C22C27H27109.5°109.5°
C22C27H27A109.5°109.5°
C22C27H27B109.5°109.5°
N23C22C24117.1°109.9°
C22C24O26119.8°120.1°
C22C24N25114.4°120.0°
O26C24N25125.8°120.0°
C24N25C28125.9°120.0°
C24N25HN25117.1°120.0°
C28N25HN25117.0°120.0°
N25C28C29123.1°120.4°
N25C28C33119.8°120.5°
H27C27H27A109.4°109.4°
H27C27H27B109.5°109.4°
H27AC27H27B109.5°109.5°
C29C28C33117.1°119.1°
C28C29C30123.0°118.3°
C28C29H29118.5°120.8°
C28C33N32120.9°120.7°
C28C33H33119.6°119.6°
C30C29H29118.5°120.8°
C29C30C31116.1°119.2°
C29C30H30122.0°120.3°
C31C30H30122.0°120.4°
C30C31N32122.5°120.9°
C30C31F34114.8°119.6°
N32C31F34122.6°119.6°
C31N32C33120.4°121.8°
N32C33H33119.5°119.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2N1N5HN1180.0°179.6°
N1C2C3N6179.8°179.9°
N1C2C3C40.1°0.0°
N1C2C3H3179.9°179.9°
C2N1N5C40.0°0.1°
N1C2N6C15178.7°179.9°
N1C2N6HN61.3°0.1°
N5N1C2C30.1°0.0°
N5N1C2N6179.9°180.0°
N1N5C4C30.1°0.1°
N1N5C4C7179.9°179.9°
C2C3C4H3180.0°179.9°
C2C3C4C7179.9°180.0°
C2C3C4N50.1°0.0°
C3C2N6C151.1°0.0°
C3C2N6HN6178.9°180.0°
C3C2N1HN1179.9°179.7°
N6C2C3C4180.0°179.9°
N6C2C3H30.1°0.0°
C2N6C15HN6180.0°179.9°
C2N6C15C13174.1°179.9°
C2N6C15N165.9°0.0°
N6C2N1HN10.1°0.4°
C3C4C7N5179.8°180.0°
C3C4C7C925.2°16.3°
C3C4C7C884.5°84.9°
C3C4C7H7124.8°129.4°
H3C3C4C70.1°0.0°
H3C3C4N5179.9°180.0°
C4C7C9C883.7°107.5°
C4C7C9H7141.2°145.0°
C4C7C8H7133.0°145.0°
C4C7C8H8135.4°144.9°
C4C7C8H8A15.4°0.0°
C4C7C9H936.3°0.0°
C4C7C9H9A156.3°145.0°
N5C4C7C9155.0°163.7°
N5C4C7C895.7°95.1°
N5C4C7H755.0°50.6°
C4N5N1HN1180.0°179.7°
N6C15C13C120.1°0.1°
N6C15C13N14180.0°179.8°
N6C15C13N16180.0°179.9°
N6C15N16C18180.0°180.0°
HN6N6C15C135.9°0.0°
HN6N6C15N16174.1°179.9°
C9C7C8H7122.4°107.5°
C7C9C8H9120.0°107.4°
C7C9C8H9A120.0°107.5°
C7C9C8H8120.0°107.5°
C7C9C8H8A120.0°107.4°
C7C9H9H9A138.4°145.6°
C7C8H8H8A138.7°145.6°
H7C7C8H82.3°0.0°
H7C7C8H8A117.7°144.9°
H7C7C9H9104.9°145.0°
H7C7C9H9A15.1°0.0°
C9C8H8H8A138.7°145.8°
C8C9H9H9A138.4°145.8°
H8C8C9H9120.0°145.1°
H8C8C9H9A0.0°0.0°
H8AC8C9H90.0°0.0°
H8AC8C9H9A120.0°145.1°
N14C10C11H10180.0°179.8°
N14C10C11C120.0°0.2°
N14C10C11H11180.0°179.8°
C10N14C13C120.0°0.4°
C10N14C13N17180.0°179.7°
C10N14C13C15180.0°179.9°
C10N14N17C18179.9°179.4°
C10C11C12H11180.0°180.0°
C10C11C12C130.0°0.0°
C10C11C12H12180.0°180.0°
C11C10N14C130.0°0.4°
C11C10N14N17180.0°180.0°
H10C10C11C12180.0°180.0°
H10C10C11H110.0°0.0°
H10C10N14C13180.0°179.9°
H10C10N14N170.1°0.2°
C11C12C13H12180.0°180.0°
C11C12C13N140.0°0.2°
C11C12C13C15180.0°179.9°
H11C11C12C13179.9°180.0°
H11C11C12H120.0°0.0°
C12C13N14C15180.0°179.8°
C12C13N14N17179.9°179.9°
C12C13C15N16180.0°180.0°
H12C12C13N14180.0°179.8°
H12C12C13C150.0°0.1°
N14C13C15N160.0°0.3°
C13N14N17C180.0°0.3°
C15C13N14N170.0°0.1°
C13C15N16C180.1°0.0°
N14N17C18N160.1°0.5°
N14N17C18N23180.0°180.0°
C15N16C18N170.1°0.4°
C15N16C18N23179.9°179.9°
N16C18N17N23179.9°179.5°
N16C18N23C19169.7°0.5°
N16C18N23C2211.5°179.5°
N17C18N23C1910.2°180.0°
N17C18N23C22168.6°0.0°
C18N23C19C20169.5°155.8°
C18N23C19C22178.9°180.0°
C18N23C19H1949.5°37.1°
C18N23C19H19A70.5°85.2°
C18N23C22C21176.7°178.9°
C18N23C22C2758.9°61.7°
C18N23C22C2470.7°59.5°
C20C19N23H19120.0°118.7°
C20C19N23H19A120.0°119.0°
C20C19H19H19A121.7°122.3°
C19C20C21H20120.0°118.0°
C19C20C21H20A120.0°118.1°
C19C20H20H20A122.1°124.0°
C19C20C21C2222.4°35.5°
C19C20C21H2197.6°82.9°
C19C20C21H21A142.4°153.9°
C20C19N23C2211.7°24.2°
N23C19H19H19A121.7°122.3°
N23C19C20C2120.1°37.1°
N23C19C20H20140.1°155.1°
N23C19C20H20A99.9°81.0°
C19N23C22C212.2°1.1°
C19N23C22C27120.0°118.3°
C19N23C22C24110.5°120.5°
H19C19C20C21140.1°155.9°
H19C19C20H2099.9°86.1°
H19C19C20H20A20.1°37.8°
H19C19N23C22131.7°142.9°
H19AC19C20C2199.9°81.9°
H19AC19C20H2020.1°36.1°
H19AC19C20H20A140.1°160.0°
H19AC19N23C22108.3°94.8°
C21C20H20H20A122.2°123.9°
C20C21C22H21120.0°118.4°
C20C21C22H21A120.0°118.3°
C20C21H21H21A120.3°123.2°
C20C21C22C27131.9°141.6°
C20C21C22N2315.3°22.2°
C20C21C22C24106.8°97.2°
H20C20C21C22142.4°153.6°
H20C20C21H2122.4°35.2°
H20C20C21H21A97.6°88.1°
H20AC20C21C2297.6°82.6°
H20AC20C21H21142.4°159.0°
H20AC20C21H21A22.4°35.8°
C22C21H21H21A120.2°123.2°
C21C22C27N23111.6°117.8°
C21C22C27C24116.3°121.1°
C21C22N23C24112.6°119.4°
C21C22C24O2691.0°96.4°
C21C22C24N2589.1°83.6°
C21C22C27H27180.0°61.5°
C21C22C27H27A60.0°178.6°
C21C22C27H27B60.0°58.5°
H21C21C22C2711.9°23.2°
H21C21C22N23104.7°96.2°
H21C21C22C24133.2°144.3°
H21AC21C22C27108.1°100.0°
H21AC21C22N23135.3°140.5°
H21AC21C22C2413.2°21.1°
C27C22N23C24129.6°121.1°
C27C22C24O2629.6°24.6°
C27C22C24N25150.4°155.4°
C22C27H27H27A120.0°120.0°
C22C27H27H27B120.0°120.0°
C22C27H27AH27B120.0°120.0°
N23C22C24O26157.8°145.7°
N23C22C24N2522.2°34.3°
N23C22C27H2768.4°179.3°
N23C22C27H27A51.6°60.7°
N23C22C27H27B171.6°59.3°
C22C24O26N25179.9°180.0°
C22C24N25C28170.9°175.3°
C22C24N25HN259.1°4.7°
C24C22C27H2763.7°59.6°
C24C22C27H27A176.3°60.4°
C24C22C27H27B56.3°179.6°
O26C24N25C289.1°4.7°
O26C24N25HN25170.9°175.3°
C24N25C28HN25180.0°180.0°
C24N25C28C29136.0°35.0°
C24N25C28C3344.1°145.3°
N25C28C29C33179.9°179.7°
N25C28C29C30179.9°179.9°
N25C28C29H290.1°0.0°
N25C28C33N32179.9°179.8°
N25C28C33H330.1°0.0°
HN25N25C28C2944.0°145.1°
HN25N25C28C33135.9°34.7°
H27C27H27AH27B120.0°120.0°
C28C29C30H29180.0°180.0°
C28C29C30C310.0°0.1°
C28C29C30H30179.9°180.0°
C29C28C33N320.1°0.5°
C29C28C33H33179.9°179.8°
C33C28C29C300.1°0.2°
C33C28C29H29179.9°179.8°
C28C33N32C310.1°0.6°
C28C33N32H33180.0°179.7°
C29C30C31H30180.0°179.9°
C29C30C31N320.0°0.0°
C29C30C31F34180.0°180.0°
H29C29C30C31180.0°180.0°
H29C29C30H300.1°0.1°
C30C31N32F34180.0°180.0°
C30C31N32C330.0°0.3°
H30C30C31N32180.0°179.9°
H30C30C31F340.0°0.0°
C31N32C33H33179.9°179.7°
F34C31N32C33180.0°179.7°

224931

PDB entries from 2024-09-11

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