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8X2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OC21doub1.22Å1.22Å
C12C13doub1.38Å1.39ÅAromatic
C12N3sing1.33Å1.35ÅAromatic
C13C14sing1.40Å1.39ÅAromatic
C16C17sing1.40Å1.37ÅAromatic
C16C15doub1.37Å1.38ÅAromatic
C21C17sing1.47Å1.49Å
C21N6sing1.35Å1.43Å
N3C11doub1.32Å1.36ÅAromatic
C17C18doub1.39Å1.39ÅAromatic
C14C15sing1.48Å1.49Å
C14N4doub1.33Å1.36ÅAromatic
C15N5sing1.38Å1.35ÅAromatic
N6C20sing1.46Å1.47Å
C11N4sing1.32Å1.36ÅAromatic
C11N2sing1.39Å1.45Å
C18N5sing1.33Å1.34ÅAromatic
C18C19sing1.50Å1.52Å
N2C8sing1.40Å1.45Å
C19C20sing1.53Å1.54Å
C8C9doub1.39Å1.39ÅAromatic
C8C7sing1.39Å1.39ÅAromatic
C9C10sing1.38Å1.40ÅAromatic
C7C6doub1.38Å1.39ÅAromatic
C10C5doub1.39Å1.41ÅAromatic
C6C5sing1.39Å1.41ÅAromatic
C5N1sing1.40Å1.46Å
C2N1sing1.47Å1.48Å
C2C1sing1.53Å1.53Å
C3N1sing1.47Å1.48Å
C3C4sing1.53Å1.53Å
NC1sing1.47Å1.48Å
NC4sing1.47Å1.48Å
NCsing1.47Å1.47Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C2H3sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
C3H6sing1.09Å1.10Å
N6H7sing0.97Å1.00Å
C7H8sing1.08Å1.08Å
C9H9sing1.08Å1.08Å
C10H10sing1.08Å1.08Å
C12H11sing1.08Å1.08Å
C13H12sing1.08Å1.08Å
C16H13sing1.08Å1.08Å
C19H14sing1.09Å1.10Å
C19H15sing1.09Å1.10Å
C20H16sing1.09Å1.10Å
C20H17sing1.09Å1.10Å
N5H18sing0.97Å1.00Å
N2H19sing0.97Å1.00Å
C6H20sing1.08Å1.08Å
C4H21sing1.09Å1.10Å
C4H22sing1.09Å1.10Å
CH24sing1.09Å1.10Å
CH25sing1.09Å1.10Å
CH26sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OC21C17118.5°121.6°
OC21N6122.0°121.7°
C13C12N3120.0°119.3°
C12C13C14118.6°118.4°
C13C12H11120.0°120.4°
C12C13H12120.7°120.7°
C12N3C11121.5°121.0°
N3C12H11120.0°120.3°
C13C14C15118.1°120.5°
C13C14N4119.7°118.9°
C14C13H12120.8°120.8°
C17C16C15103.3°106.8°
C16C17C21132.5°131.8°
C16C17C18109.9°107.5°
C17C16H13128.4°126.6°
C16C15C14131.0°125.7°
C16C15N5112.0°108.5°
C15C16H13128.4°126.6°
C17C21N6119.4°116.6°
C21C17C18117.6°120.7°
C21N6C20121.4°122.7°
C21N6H7119.3°118.6°
N3C11N4119.5°121.7°
N3C11N2118.1°119.2°
C17C18N5107.7°108.1°
C17C18C19124.3°121.0°
C15C14N4122.1°120.5°
C14C15N5117.0°125.8°
C14N4C11120.7°120.6°
C15N5C18107.1°109.2°
C15N5H18126.4°125.4°
N6C20C19115.0°112.9°
C20N6H7119.3°118.7°
N6C20H16108.0°108.8°
N6C20H17108.1°108.8°
N4C11N2122.4°119.1°
C11N2C8124.3°120.0°
C11N2H19117.8°120.0°
N5C18C19128.0°130.9°
C18N5H18126.4°125.4°
C18C19C20111.0°109.0°
C18C19H14109.1°109.7°
C18C19H15109.1°109.3°
N2C8C9120.0°120.0°
N2C8C7121.3°120.0°
C8N2H19117.8°120.0°
C20C19H14109.1°109.6°
C20C19H15109.1°109.6°
C19C20H16108.1°108.8°
C19C20H17108.1°108.8°
C9C8C7118.8°120.0°
C8C9C10119.9°120.0°
C8C9H9120.0°120.0°
C8C7C6120.2°120.0°
C8C7H8119.9°120.0°
C9C10C5123.4°120.0°
C10C9H9120.1°120.0°
C9C10H10118.3°120.0°
C7C6C5123.6°120.0°
C6C7H8119.9°120.0°
C7C6H20118.2°120.0°
C10C5C6114.1°120.0°
C10C5N1124.3°120.0°
C5C10H10118.3°120.0°
C6C5N1121.6°120.0°
C5C6H20118.2°120.0°
C5N1C2111.8°111.0°
C5N1C3109.4°111.0°
N1C2C1110.5°109.4°
C2N1C3109.6°110.9°
N1C2H3109.2°109.5°
N1C2H4109.2°109.5°
C2C1N110.1°109.4°
C2C1H1109.3°109.5°
C2C1H2109.3°109.5°
C1C2H3109.2°109.5°
C1C2H4109.2°109.5°
N1C3C4110.2°109.4°
N1C3H5109.3°109.5°
N1C3H6109.3°109.4°
C3C4N108.7°109.3°
C4C3H5109.3°109.5°
C4C3H6109.3°109.5°
C3C4H21109.6°109.4°
C3C4H22109.6°109.5°
C1NC4110.3°110.9°
C1NC109.6°111.0°
NC1H1109.3°109.5°
NC1H2109.3°109.5°
C4NC109.5°111.0°
NC4H21109.7°109.5°
NC4H22109.7°109.5°
NCH24109.5°109.4°
NCH25109.4°109.5°
NCH26109.4°109.4°
H1C1H2109.5°109.5°
H3C2H4109.5°109.5°
H5C3H6109.5°109.5°
H14C19H15109.5°109.6°
H16C20H17109.5°108.7°
H21C4H22109.5°109.6°
H24CH25109.5°109.5°
H24CH26109.5°109.5°
H25CH26109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OC21C17C1613.2°12.8°
OC21C17N6177.6°180.0°
OC21C17C18168.0°167.2°
OC21N6C20178.3°171.9°
OC21N6H71.7°8.3°
C13C12N3H11180.0°179.7°
C12C13C14H12180.0°179.6°
C13C12N3C110.3°0.0°
C12C13C14C15179.0°180.0°
C12C13C14N40.0°0.6°
N3C12C13C140.2°0.3°
C12N3C11N40.4°0.0°
C12N3C11N2179.8°179.7°
N3C12C13H12179.8°179.9°
C13C14C15C164.2°180.0°
C13C14C15N4178.9°179.4°
C13C14C15N5177.1°0.0°
C13C14N4C110.0°0.6°
C14C13C12H11179.9°180.0°
C17C16C15H13180.0°180.0°
C16C17C21C18178.8°180.0°
C16C17C21N6164.4°167.2°
C17C16C15C14178.6°179.9°
C17C16C15N50.2°0.1°
C16C17C18N50.3°0.2°
C16C17C18C19179.8°179.6°
C15C16C17C21178.5°179.8°
C15C16C17C180.3°0.1°
C16C15C14N5178.7°180.0°
C16C15C14N4174.7°0.6°
C16C15N5C180.1°0.0°
C16C15N5H18180.0°179.9°
C17C21N6C200.8°8.1°
C21C17C18N5178.7°179.8°
C21C17C18C190.8°0.4°
C17C21N6H7179.3°171.6°
C21C17C16H131.4°0.1°
N6C21C17C1814.4°12.8°
C21N6C20H7180.0°179.7°
C21N6C20C1926.5°38.9°
C21N6C20H1694.3°82.0°
C21N6C20H17147.3°159.8°
N3C11N4C140.2°0.3°
N3C11N4N2179.4°179.7°
N3C11N2C8173.3°5.8°
C11N3C12H11179.7°179.7°
N3C11N2H196.7°174.2°
C17C18N5C150.2°0.1°
C17C18N5C19179.4°179.7°
C17C18C19C2026.7°28.7°
C18C17C16H13179.7°179.9°
C17C18C19H1493.6°148.8°
C17C18C19H15146.9°91.1°
C17C18N5H18179.8°179.8°
C15C14N4C11178.9°180.0°
C14C15N5C18179.0°180.0°
C15C14C13H121.0°0.4°
C14C15C16H131.4°0.0°
C14C15N5H181.0°0.1°
N4C14C15N53.9°179.4°
C14N4C11N2179.6°179.9°
N4C14C13H12180.0°179.8°
C15N5C18H18180.0°179.9°
C15N5C18C19179.7°179.6°
N5C15C16H13179.9°180.0°
N6C20C19C1837.9°46.1°
N6C20C19H16120.8°120.9°
N6C20C19H17120.8°120.9°
N6C20C19H1482.3°166.3°
N6C20C19H15158.1°73.5°
N6C20H16H17117.4°118.3°
N4C11N2C87.3°174.5°
N4C11N2H19172.7°5.5°
C11N2C8H19180.0°180.0°
C11N2C8C9137.9°33.6°
C11N2C8C742.4°146.4°
N5C18C19C20152.7°150.9°
N5C18C19H1487.1°30.9°
N5C18C19H1532.4°89.2°
C18C19C20H14120.2°120.1°
C18C19C20H15120.2°119.6°
C18C19H14H15119.3°120.0°
C18C19C20H1682.9°74.8°
C18C19C20H17158.7°167.0°
C19C18N5H180.3°0.5°
N2C8C9C7179.7°179.9°
N2C8C9C10179.8°180.0°
N2C8C7C6179.7°179.9°
N2C8C7H80.3°0.3°
N2C8C9H90.2°0.1°
C19C20N6H7153.5°140.8°
C20C19H14H15119.3°120.3°
C19C20H16H17117.5°118.3°
C8C9C10H9180.0°179.9°
C9C8C7C60.6°0.0°
C8C9C10C50.2°0.1°
C9C8C7H8179.4°179.8°
C8C9C10H10179.8°180.0°
C9C8N2H1942.1°146.4°
C7C8C9C100.5°0.1°
C8C7C6H8180.0°179.7°
C8C7C6C50.0°0.1°
C7C8C9H9179.5°180.0°
C7C8N2H19137.6°33.7°
C8C7C6H20180.0°179.7°
C9C10C5H10180.0°179.9°
C9C10C5C60.8°0.0°
C9C10C5N1179.6°180.0°
C7C6C5C100.6°0.1°
C7C6C5H20180.0°179.6°
C7C6C5N1179.7°180.0°
C10C5C6N1179.7°180.0°
C10C5N1C217.2°180.0°
C10C5N1C3138.8°56.2°
C5C10C9H9179.8°180.0°
C10C5C6H20179.4°179.7°
C6C5N1C2163.1°0.0°
C6C5N1C341.6°123.9°
C5C6C7H8180.0°179.7°
C6C5C10H10179.3°179.9°
C5N1C2C3121.4°123.9°
C5N1C2C1179.1°176.8°
C5N1C3C4177.3°176.8°
C5N1C2H359.0°56.8°
C5N1C2H460.7°63.2°
C5N1C3H557.1°56.8°
C5N1C3H662.6°63.2°
N1C5C10H100.4°0.0°
N1C5C6H200.3°0.4°
N1C2C1H3120.1°120.0°
N1C2C1H4120.2°120.0°
C2N1C3C459.9°59.3°
N1C2C1N57.0°58.4°
N1C2C1H1177.1°178.4°
N1C2C1H263.1°61.6°
N1C2H3H4119.5°120.0°
C2N1C3H5180.0°179.3°
C2N1C3H660.2°60.7°
C1C2N1C357.7°59.3°
C2C1NH1120.1°120.0°
C2C1NH2120.1°120.0°
C2C1NC458.3°59.3°
C2C1NC178.8°176.8°
C2C1H1H2119.7°120.1°
C1C2H3H4119.6°120.1°
N1C3C4H5120.1°120.0°
N1C3C4H6120.1°119.9°
N1C3C4N60.8°58.4°
C3N1C2H362.4°179.3°
C3N1C2H4177.9°60.7°
N1C3H5H6119.7°120.0°
N1C3C4H2159.1°61.5°
N1C3C4H22179.4°178.4°
C3C4NC159.8°59.3°
C3C4NH21119.9°119.9°
C3C4NH22119.9°119.9°
C3C4NC179.6°176.8°
C4C3H5H6119.7°120.1°
C3C4H21H22120.3°120.0°
C1NC4C120.6°123.9°
NC1H1H2119.7°120.0°
NC1C2H363.1°178.4°
NC1C2H4177.2°61.6°
C1NC4H2160.1°60.6°
C1NC4H22179.6°179.3°
C1NCH24180.0°60.0°
C1NCH2560.0°180.0°
C1NCH2660.0°60.0°
C4NC1H1178.4°179.3°
C4NC1H261.8°60.7°
NC4C3H5179.1°178.4°
NC4C3H659.3°61.5°
NC4H21H22120.4°120.1°
C4NCH2459.0°63.8°
C4NCH25179.0°56.2°
C4NCH2661.1°176.2°
CNC1H161.0°56.8°
CNC1H258.8°63.2°
CNC4H2160.5°63.3°
CNC4H2259.7°56.8°
NCH24H25120.0°120.0°
NCH24H26120.0°119.9°
NCH25H26120.0°120.0°
H1C1C2H357.0°61.6°
H1C1C2H462.7°58.4°
H2C1C2H3176.8°58.4°
H2C1C2H457.1°178.4°
H5C3C4H2161.0°58.5°
H5C3C4H2259.2°61.6°
H6C3C4H21179.2°178.6°
H6C3C4H2260.5°58.5°
H7N6C20H1685.7°98.3°
H7N6C20H1732.7°20.0°
H8C7C6H200.0°0.1°
H9C9C10H100.2°0.1°
H11C12C13H120.1°0.4°
H14C19C20H16156.9°45.4°
H14C19C20H1738.5°72.9°
H15C19C20H1637.3°165.6°
H15C19C20H1781.1°47.4°
H24CH25H26120.0°120.1°

223532

PDB entries from 2024-08-07

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