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06H

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.51Å1.49Å
C22C3sing1.51Å1.52Å
C22C21sing1.52Å1.54Å
C2C3doub1.36Å1.40ÅAromatic
C2C5sing1.45Å1.43ÅAromatic
C13C14doub1.37Å1.40ÅAromatic
C13C12sing1.40Å1.40ÅAromatic
C3N1sing1.37Å1.40ÅAromatic
C14C15sing1.40Å1.41ÅAromatic
C5C6sing1.46Å1.46Å
C5C4doub1.39Å1.37ÅAromatic
O1C6doub1.21Å1.23Å
C6C7sing1.51Å1.53Å
N4C25sing1.35Å1.37Å
N1C4sing1.35Å1.39ÅAromatic
N1C12sing1.40Å1.42ÅAromatic
C4C9sing1.50Å1.50Å
C23N3sing1.47Å1.47Å
C12C17doub1.39Å1.40ÅAromatic
C7C8sing1.52Å1.55Å
C21C20sing1.52Å1.55Å
C20N3sing1.49Å1.47Å
C9C8sing1.53Å1.56Å
C15C25sing1.47Å1.49Å
C15C16doub1.40Å1.42ÅAromatic
C25O3doub1.22Å1.23Å
N3C19sing1.38Å1.40Å
C17C16sing1.39Å1.41ÅAromatic
C8C10sing1.53Å1.54Å
C8C11sing1.53Å1.54Å
C16N2sing1.40Å1.39Å
N2C18sing1.48Å1.47Å
C19O2doub1.21Å1.23Å
C19C18sing1.51Å1.54Å
C18C24sing1.53Å1.53Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C7H4sing1.09Å1.10Å
C7H5sing1.09Å1.10Å
C9H6sing1.09Å1.10Å
C9H7sing1.10Å1.10Å
C10H8sing1.09Å1.10Å
C10H9sing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C11H11sing1.09Å1.10Å
C11H12sing1.09Å1.10Å
C11H13sing1.09Å1.10Å
C13H14sing1.07Å1.08Å
C14H15sing1.08Å1.08Å
C17H16sing1.08Å1.08Å
N2H17sing0.97Å1.00Å
C18H18sing1.09Å1.10Å
C20H19sing1.10Å1.10Å
C20H20sing1.09Å1.10Å
C21H21sing1.10Å1.10Å
C21H22sing1.10Å1.10Å
C22H23sing1.11Å1.10Å
C22H24sing1.07Å1.10Å
C23H25sing1.09Å1.10Å
C23H26sing1.09Å1.10Å
C23H27sing1.09Å1.10Å
C24H28sing1.09Å1.10Å
C24H29sing1.09Å1.10Å
C24H30sing1.09Å1.10Å
N4H31sing0.97Å1.00Å
N4H32sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2C3126.3°127.3°
C1C2C5126.2°126.7°
C2C1H1109.5°109.5°
C2C1H2109.5°109.5°
C2C1H3109.5°109.5°
C3C22C21115.1°110.2°
C22C3C2128.1°121.4°
C22C3N1124.5°129.0°
C3C22H23107.6°107.0°
C3C22H24107.6°112.5°
C22C21C20114.1°112.8°
C22C21H21108.0°109.4°
C22C21H22107.9°109.0°
C21C22H23107.6°107.5°
C21C22H24107.6°113.2°
C3C2C5107.5°106.1°
C2C3N1107.3°109.5°
C2C5C6131.6°130.9°
C2C5C4107.8°106.6°
C14C13C12119.3°121.5°
C13C14C15120.9°120.5°
C14C13H14120.4°116.8°
C13C14H15119.5°119.6°
C13C12N1123.3°120.5°
C13C12C17119.7°117.7°
C12C13H14120.4°121.7°
C3N1C4108.7°109.4°
C3N1C12127.1°127.1°
C14C15C25118.9°119.6°
C14C15C16120.7°119.0°
C15C14H15119.5°119.8°
C6C5C4120.6°122.6°
C5C6O1120.0°122.1°
C5C6C7117.8°116.5°
C5C4N1108.7°108.0°
C5C4C9124.8°121.5°
O1C6C7120.8°121.5°
C6C7C8113.8°109.7°
C6C7H4108.0°109.3°
C6C7H5108.0°109.4°
N4C25C15116.7°120.0°
N4C25O3122.5°120.0°
C25N4H31120.0°120.0°
C25N4H32120.0°120.0°
C4N1C12124.2°123.5°
N1C4C9126.5°130.5°
N1C12C17117.0°121.8°
C4C9C8110.0°111.3°
C4C9H6109.3°110.0°
C4C9H7109.3°108.8°
C23N3C20116.4°123.4°
C23N3C19127.3°124.3°
N3C23H25109.5°109.5°
N3C23H26109.5°109.5°
N3C23H27109.5°109.5°
C12C17C16122.3°121.6°
C12C17H16118.9°119.7°
C7C8C9109.8°112.3°
C7C8C10110.3°108.6°
C7C8C11109.7°109.4°
C8C7H4108.1°109.5°
C8C7H5108.0°109.5°
C21C20N3109.8°110.6°
C21C20H19109.4°109.5°
C21C20H20109.4°109.6°
C20C21H21107.9°109.6°
C20C21H22108.0°108.3°
C20N3C19116.3°112.3°
N3C20H19109.3°109.2°
N3C20H20109.4°109.6°
C9C8C10108.9°108.6°
C9C8C11111.1°109.4°
C8C9H6109.3°109.7°
C8C9H7109.3°107.2°
C25C15C16120.3°121.3°
C15C25O3120.8°120.0°
C15C16C17117.1°119.2°
C15C16N2120.5°119.5°
N3C19O2120.0°121.1°
N3C19C18122.4°118.8°
C17C16N2122.4°121.3°
C16C17H16118.9°118.4°
C10C8C11107.0°108.4°
C8C10H8109.5°109.5°
C8C10H9109.5°109.5°
C8C10H10109.5°109.5°
C8C11H11109.5°109.5°
C8C11H12109.5°109.5°
C8C11H13109.5°109.5°
C16N2C18127.8°118.0°
C16N2H17103.7°122.5°
N2C18C19113.4°108.9°
N2C18C24110.2°108.8°
C18N2H17103.8°119.6°
N2C18H18107.0°109.3°
O2C19C18117.5°120.1°
C19C18C24111.8°109.6°
C19C18H18105.2°110.5°
C24C18H18108.8°109.7°
C18C24H28109.5°109.5°
C18C24H29109.4°109.4°
C18C24H30109.5°109.5°
H1C1H2109.5°109.4°
H1C1H3109.5°109.5°
H2C1H3109.4°109.5°
H4C7H5110.9°109.4°
H6C9H7109.6°109.7°
H8C10H9109.5°109.5°
H8C10H10109.4°109.4°
H9C10H10109.5°109.5°
H11C11H12109.5°109.5°
H11C11H13109.4°109.4°
H12C11H13109.5°109.5°
H19C20H20109.6°108.4°
H21C21H22111.0°107.6°
H23C22H24111.3°106.0°
H25C23H26109.5°109.5°
H25C23H27109.5°109.4°
H26C23H27109.5°109.5°
H28C24H29109.5°109.5°
H28C24H30109.5°109.5°
H29C24H30109.5°109.5°
H31N4H32120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2C3C222.0°2.6°
C1C2C3C5179.2°178.9°
C1C2C3N1179.9°179.3°
C1C2C5C60.3°4.1°
C1C2C5C4179.8°176.2°
C2C1H1H2120.0°120.0°
C2C1H1H3120.0°120.1°
C2C1H2H3120.0°120.0°
C3C22C21H23120.0°116.3°
C3C22C21H24120.0°127.0°
C22C3C2N1178.1°178.1°
C22C3C2C5178.8°176.2°
C22C3N1C4178.6°172.0°
C22C3N1C122.1°9.1°
C3C22C21C20149.5°115.2°
C3C22C21H2190.5°122.5°
C3C22C21H2229.5°5.1°
C3C22H23H24117.7°120.2°
C21C22C3C280.9°63.6°
C21C22C3N1101.4°118.8°
C22C21C20H21120.0°122.1°
C22C21C20H22120.0°120.7°
C22C21C20N374.9°38.8°
C22C21C20H1945.1°159.1°
C22C21C20H20165.1°82.1°
C22C21H21H22118.1°118.3°
C21C22H23H24117.7°121.4°
C3C2C5C6178.9°177.1°
C3C2C5C40.6°2.6°
C2C3N1C40.5°5.9°
C2C3N1C12179.7°173.0°
C3C2C1H190.5°90.0°
C3C2C1H2149.5°150.1°
C3C2C1H329.6°30.1°
C2C3C22H23159.1°53.0°
C2C3C22H2439.1°169.0°
C5C2C3N10.7°1.8°
C2C5C6C4179.4°179.7°
C2C5C6O111.0°4.1°
C2C5C6C7177.8°175.9°
C2C5C4N10.3°6.2°
C2C5C4C9179.3°172.6°
C5C2C1H190.5°91.4°
C5C2C1H229.5°28.6°
C5C2C1H3149.5°148.6°
C14C13C12H14180.0°177.5°
C13C14C15H15180.0°179.9°
C14C13C12N1176.5°176.1°
C14C13C12C172.1°5.8°
C13C14C15C25179.1°178.6°
C13C14C15C160.0°1.7°
C13C12N1C3124.1°174.8°
C12C13C14C150.4°1.2°
C13C12N1C456.7°6.4°
C13C12N1C17178.6°178.0°
C13C12C17C163.6°7.8°
C12C13C14H15179.6°178.7°
C13C12C17H16176.4°166.1°
C3N1C4C50.1°7.5°
C3N1C4C12179.3°178.9°
C3N1C4C9178.9°171.1°
C3N1C12C1754.5°7.2°
N1C3C22H2318.6°124.6°
N1C3C22H24138.6°8.6°
C14C15C25N423.2°0.0°
C14C15C25C16179.1°179.7°
C14C15C25O3156.1°180.0°
C14C15C16C171.3°0.3°
C14C15C16N2179.3°179.9°
C15C14C13H14179.6°176.4°
C5C6O1C7166.4°180.0°
C6C5C4N1179.2°173.6°
C6C5C4C90.3°7.7°
C5C6C7C825.4°36.2°
C5C6C7H4145.4°156.3°
C5C6C7H594.6°83.9°
C4C5C6O1168.4°176.3°
C4C5C6C71.6°3.8°
C5C4N1C9178.9°178.6°
C5C4N1C12179.4°171.4°
C5C4C9C827.2°14.9°
C5C4C9H692.8°107.0°
C5C4C9H7147.2°132.9°
O1C6C7C8141.3°143.8°
O1C6C7H421.3°23.7°
O1C6C7H598.7°96.1°
C6C7C8H4120.0°120.0°
C6C7C8H5120.0°120.1°
C6C7C8C951.7°59.2°
C6C7C8C10171.7°179.3°
C6C7C8C1170.6°62.6°
C6C7H4H5118.2°119.8°
N4C25C15O3179.3°180.0°
N4C25C15C16157.7°179.7°
C25N4H31H32180.0°180.0°
C4N1C12C17124.6°171.6°
N1C4C9C8151.6°163.6°
N1C4C9H688.4°74.6°
N1C4C9H731.6°45.6°
C12N1C4C90.4°9.9°
N1C12C17C16175.1°174.1°
N1C12C13H143.5°6.4°
N1C12C17H164.9°12.0°
C4C9C8C751.1°48.3°
C4C9C8H6120.0°122.0°
C4C9C8H7120.0°118.9°
C4C9C8C10171.9°168.4°
C4C9C8C1170.4°73.4°
C4C9H6H7119.8°119.6°
C23N3C20C21114.5°55.2°
C23N3C20C19179.7°178.0°
C23N3C19O2178.9°148.2°
C23N3C19C182.9°34.9°
C23N3C20H195.6°65.3°
C23N3C20H20125.5°176.2°
N3C23H25H26120.0°120.1°
N3C23H25H27120.0°119.9°
N3C23H26H27120.0°120.0°
C12C17C16C153.1°5.1°
C12C17C16H16180.0°174.0°
C12C17C16N2178.9°175.0°
C17C12C13H14177.9°171.6°
C7C8C9C10120.8°120.1°
C7C8C9C11121.5°121.7°
C7C8C10C11119.3°118.8°
C8C7H4H5118.2°120.0°
C7C8C9H668.9°73.7°
C7C8C9H7171.1°167.3°
C7C8C10H8180.0°60.0°
C7C8C10H960.0°180.0°
C7C8C10H1060.0°60.0°
C7C8C11H11180.0°60.0°
C7C8C11H1260.0°180.0°
C7C8C11H1360.0°60.0°
C21C20N3H19120.0°120.5°
C21C20N3H20120.0°120.9°
C21C20N3C1965.8°126.8°
C21C20H19H20119.9°119.5°
C20C21H21H22118.1°117.5°
C20C21C22H2329.5°128.5°
C20C21C22H2490.5°11.7°
C20N3C19O20.8°29.7°
C20N3C19C18177.4°147.1°
N3C20H19H20119.8°119.3°
N3C20C21H21165.1°83.3°
N3C20C21H2245.1°159.6°
C20N3C23H25180.0°177.9°
C20N3C23H2660.0°57.8°
C20N3C23H2760.0°62.2°
C9C8C10C11120.2°118.8°
C9C8C7H4171.7°179.1°
C9C8C7H568.3°60.9°
C8C9H6H7119.8°117.6°
C9C8C10H859.5°62.4°
C9C8C10H9179.5°57.6°
C9C8C10H1060.5°177.6°
C9C8C11H1158.5°176.6°
C9C8C11H1261.6°56.6°
C9C8C11H13178.4°63.5°
C25C15C16C17177.7°179.4°
C25C15C16N20.2°0.4°
C25C15C14H150.9°1.3°
C15C25N4H31179.3°0.0°
C15C25N4H320.7°180.0°
C16C15C25O323.0°0.3°
C15C16C17N2177.9°179.9°
C15C16N2C18175.1°161.9°
C16C15C14H15180.0°178.4°
C15C16C17H16176.9°168.9°
C15C16N2H1755.0°19.2°
O3C25N4H310.0°180.0°
O3C25N4H32180.0°0.0°
N3C19C18N237.4°141.1°
N3C19O2C18178.3°176.8°
N3C19C18C2488.0°99.9°
N3C19C18H18154.1°21.1°
C19N3C20H19174.2°112.7°
C19N3C20H2054.2°5.8°
C19N3C23H250.3°0.1°
C19N3C23H26120.3°120.0°
C19N3C23H27119.7°120.0°
C17C16N2C182.8°18.3°
C17C16N2H17122.8°160.7°
C10C8C7H468.3°60.7°
C10C8C7H551.7°59.2°
C10C8C9H651.9°46.4°
C10C8C9H768.1°72.6°
C8C10H8H9120.0°120.0°
C8C10H8H10120.0°120.0°
C8C10H9H10120.0°120.0°
C10C8C11H1160.3°58.3°
C10C8C11H12179.7°61.7°
C10C8C11H1359.7°178.2°
C11C8C7H449.4°57.4°
C11C8C7H5169.4°177.4°
C11C8C9H6169.6°164.6°
C11C8C9H749.6°45.5°
C11C8C10H860.7°178.8°
C11C8C10H959.3°61.2°
C11C8C10H10179.3°58.8°
C8C11H11H12120.0°120.0°
C8C11H11H13120.0°120.0°
C8C11H12H13120.0°120.0°
C16N2C18H17120.0°178.9°
C16N2C18C1943.7°70.0°
C16N2C18C24170.0°170.5°
N2C16C17H161.0°11.0°
C16N2C18H1871.9°50.8°
N2C18C19O2140.8°35.7°
N2C18C19C24125.4°119.0°
N2C18C19H18116.7°120.0°
N2C18C24H18117.0°119.5°
N2C18C24H28180.0°60.0°
N2C18C24H2960.0°180.0°
N2C18C24H3060.0°60.0°
O2C19C18C2493.8°83.2°
O2C19C18H1824.2°155.7°
C19C18C24H18115.8°121.5°
C19C18N2H17163.7°108.9°
C19C18C24H2852.8°59.0°
C19C18C24H29172.9°61.0°
C19C18C24H3067.2°179.0°
C24C18N2H1770.0°10.5°
C18C24H28H29120.0°119.9°
C18C24H28H30120.0°120.0°
C18C24H29H30120.0°120.0°
H1C1H2H3120.0°120.0°
H8C10H9H10120.0°120.0°
H11C11H12H13120.0°120.0°
H14C13C14H150.4°3.7°
H17N2C18H1848.1°130.3°
H18C18C24H2863.0°179.5°
H18C18C24H2957.0°60.5°
H18C18C24H30177.0°59.5°
H19C20C21H2174.9°37.0°
H19C20C21H22165.0°80.1°
H20C20C21H2145.1°155.7°
H20C20C21H2275.0°38.6°
H21C21C22H23149.5°6.2°
H21C21C22H2429.5°110.5°
H22C21C22H2390.5°111.2°
H22C21C22H24149.5°132.0°
H25C23H26H27120.0°119.9°
H28C24H29H30120.0°120.0°

218500

PDB entries from 2024-04-17

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