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HOE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.38Å1.40ÅAromatic
C1C6sing1.39Å1.39ÅAromatic
C1H1sing1.08Å1.10Å
C2C3sing1.40Å1.40ÅAromatic
C2H2sing1.08Å1.10Å
C3C4doub1.40Å1.40ÅAromatic
C3C7sing1.48Å1.41ÅAromatic
C4C5sing1.38Å1.41ÅAromatic
C4H4sing1.08Å1.10Å
C5C6doub1.39Å1.41ÅAromatic
C5H5sing1.08Å1.10Å
C6O1sing1.36Å1.40Å
C7N1sing1.37Å1.39ÅAromatic
C7N2doub1.31Å1.32ÅAromatic
C8C9doub1.38Å1.41ÅAromatic
C8C13sing1.41Å1.35ÅAromatic
C8N1sing1.38Å1.35ÅAromatic
C9C10sing1.39Å1.40ÅAromatic
C9H9sing1.08Å1.10Å
C10C11doub1.40Å1.39ÅAromatic
C10C14sing1.48Å1.41ÅAromatic
C11C12sing1.36Å1.39ÅAromatic
C11H11sing1.08Å1.10Å
C12C13doub1.40Å1.39ÅAromatic
C12H12sing1.08Å1.10Å
C13N2sing1.35Å1.39ÅAromatic
C14N3sing1.37Å1.38ÅAromatic
C14N4doub1.31Å1.32ÅAromatic
C15C16doub1.39Å1.40ÅAromatic
C15C20sing1.41Å1.35ÅAromatic
C15N3sing1.38Å1.35ÅAromatic
C16C17sing1.39Å1.41ÅAromatic
C16H16sing1.08Å1.10Å
C17C18doub1.39Å1.40ÅAromatic
C17N5sing1.40Å1.37Å
C18C19sing1.36Å1.40ÅAromatic
C18H18sing1.08Å1.10Å
C19C20doub1.40Å1.39ÅAromatic
C19H19sing1.08Å1.10Å
C20N4sing1.36Å1.39ÅAromatic
C21C22sing1.53Å1.51Å
C21N5sing1.47Å1.46Å
C21H211sing1.09Å1.11Å
C21H212sing1.09Å1.12Å
C22N6sing1.47Å1.46Å
C22H221sing1.09Å1.11Å
C22H222sing1.09Å1.12Å
C23C24sing1.53Å1.49Å
C23N6sing1.47Å1.45Å
C23H231sing1.09Å1.11Å
C23H232sing1.09Å1.12Å
C24N5sing1.47Å1.46Å
C24H241sing1.09Å1.12Å
C24H242sing1.09Å1.11Å
C25N6sing1.47Å1.46Å
C25H251sing1.09Å1.11Å
C25H252sing1.09Å1.11Å
C25H253sing1.09Å1.11Å
N1HN1sing0.97Å1.02Å
N3HN3sing0.97Å1.02Å
N6HN6sing1.01Å1.02Å
O1HO1sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6119.3°120.1°
C2C1H1120.7°120.0°
C1C2C3123.2°119.9°
C1C2H2118.4°120.1°
C6C1H1120.1°119.9°
C1C6C5118.4°120.2°
C1C6O1118.3°119.9°
C3C2H2118.5°120.0°
C2C3C4118.3°119.8°
C2C3C7118.8°120.1°
C4C3C7122.9°120.1°
C3C4C5118.8°119.9°
C3C4H4120.1°120.0°
C3C7N1125.1°125.1°
C3C7N2127.7°125.1°
C5C4H4121.1°120.1°
C4C5C6122.1°120.1°
C4C5H5118.9°119.9°
C6C5H5119.0°120.0°
C5C6O1123.3°119.9°
C6O1HO1118.3°106.8°
N1C7N2107.3°109.7°
C7N1C8109.5°107.1°
C7N1HN1126.3°126.4°
C7N2C13108.1°109.8°
C9C8C13121.2°120.0°
C9C8N1131.9°133.9°
C8C9C10120.0°119.6°
C8C9H9120.2°120.1°
C13C8N1106.5°106.2°
C8C13C12118.9°119.7°
C8C13N2108.5°107.2°
C8N1HN1124.2°126.5°
C10C9H9119.8°120.2°
C9C10C11118.4°120.1°
C9C10C14123.6°119.9°
C11C10C14118.0°119.9°
C10C11C12120.2°120.5°
C10C11H11119.7°119.7°
C10C14N3125.4°125.1°
C10C14N4127.1°125.2°
C12C11H11120.2°119.8°
C11C12C13121.0°120.1°
C11C12H12119.6°119.9°
C13C12H12119.4°120.0°
C12C13N2132.2°133.1°
N3C14N4107.4°109.7°
C14N3C15109.0°107.2°
C14N3HN3126.3°126.4°
C14N4C20108.3°109.7°
C16C15C20121.7°119.9°
C16C15N3130.2°133.9°
C15C16C17122.3°119.7°
C15C16H16118.7°120.2°
C20C15N3107.1°106.2°
C15C20C19118.4°119.6°
C15C20N4108.1°107.2°
C15N3HN3124.6°126.4°
C17C16H16119.1°120.2°
C16C17C18114.1°120.3°
C16C17N5123.3°119.9°
C18C17N5122.4°119.9°
C17C18C19123.5°120.6°
C17C18H18118.3°119.7°
C17N5C21118.7°106.7°
C17N5C24119.9°106.7°
C19C18H18118.2°119.7°
C18C19C20119.9°120.0°
C18C19H19120.4°120.0°
C20C19H19119.7°120.0°
C19C20N4132.6°133.3°
C22C21N5111.0°109.7°
C22C21H211111.7°109.4°
C22C21H212111.7°109.5°
C21C22N6117.8°109.5°
C21C22H221109.2°109.5°
C21C22H222109.2°109.5°
N5C21H211111.6°109.4°
N5C21H212111.6°109.5°
C21N5C24114.0°107.0°
H211C21H21298.7°109.4°
N6C22H221109.2°109.4°
N6C22H222109.2°109.5°
C22N6C23104.2°109.4°
C22N6C25109.7°109.5°
C22N6HN6112.9°109.5°
H221C22H222100.9°109.5°
C24C23N6116.9°109.4°
C24C23H231109.5°109.5°
C24C23H232109.5°109.5°
C23C24N5115.0°109.7°
C23C24H241110.2°109.5°
C23C24H242110.2°109.5°
N6C23H231109.6°109.5°
N6C23H232109.6°109.5°
C23N6C25109.8°109.5°
C23N6HN6112.7°109.5°
H231C23H232100.6°109.4°
N5C24H241110.2°109.4°
N5C24H242110.2°109.4°
H241C24H242100.0°109.4°
N6C25H251109.6°109.4°
N6C25H252112.1°109.5°
N6C25H253112.1°109.5°
C25N6HN6107.6°109.5°
H251C25H252112.2°109.5°
H251C25H253112.2°109.4°
H252C25H25398.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6H1180.0°179.9°
C1C2C3H2180.0°179.6°
C1C2C3C40.0°0.5°
C1C2C3C7179.7°179.8°
C2C1C6C50.7°0.2°
C2C1C6O1177.6°179.8°
C6C1C2C30.4°0.4°
C6C1C2H2179.5°180.0°
C1C6C5C40.5°0.1°
C1C6C5O1178.2°179.9°
C1C6C5H5179.5°180.0°
C1C6O1HO1180.0°89.9°
H1C1C2C3179.6°179.7°
H1C1C2H20.5°0.1°
H1C1C6C5179.3°180.0°
H1C1C6O12.4°0.1°
C2C3C4C7179.7°179.7°
C2C3C4C50.2°0.2°
C2C3C4H4179.9°179.7°
C2C3C7N114.3°39.6°
C2C3C7N2165.7°140.2°
H2C2C3C4180.0°179.9°
H2C2C3C70.3°0.2°
C3C4C5H4180.0°180.0°
C3C4C5C60.1°0.1°
C3C4C5H5179.9°180.0°
C4C3C7N1165.4°140.1°
C4C3C7N214.6°40.1°
C7C3C4C5179.5°179.9°
C7C3C4H40.5°0.0°
C3C7N1N2180.0°179.9°
C3C7N1C8175.4°180.0°
C3C7N2C13175.4°179.9°
C3C7N1HN14.6°0.1°
C4C5C6H5180.0°179.9°
C4C5C6O1177.7°179.9°
H4C4C5C6179.9°180.0°
H4C4C5H50.1°0.1°
C5C6O1HO11.8°90.0°
H5C5C6O12.3°0.0°
C7N1C8C9175.2°179.7°
C7N1C8C132.6°0.0°
C7N1C8HN1180.0°179.9°
N1C7N2C134.6°0.0°
C7N2C13C83.1°0.0°
N2C7N1C84.6°0.1°
C7N2C13C12175.8°180.0°
N2C7N1HN1175.4°180.0°
C9C8C13N1173.6°179.8°
C8C9C10H9180.0°179.9°
C8C9C10C114.5°0.5°
C8C9C10C14175.7°179.8°
C9C8C13C120.5°0.2°
C9C8C13N2173.3°179.8°
C9C8N1HN14.8°0.2°
C13C8C9C105.2°0.5°
C13C8C9H9174.8°179.7°
C8C13C12C114.6°0.0°
C8C13C12N2172.2°180.0°
C8C13C12H12175.4°180.0°
C13C8N1HN1177.4°180.0°
N1C8C9C10176.8°179.8°
N1C8C9H93.1°0.1°
N1C8C13C12174.1°180.0°
N1C8C13N20.2°0.0°
C9C10C11C14179.7°179.8°
C9C10C11C120.5°0.3°
C9C10C11H11179.6°179.8°
C9C10C14N316.9°140.0°
C9C10C14N4163.6°40.0°
H9C9C10C11175.4°179.6°
H9C9C10C144.3°0.1°
C10C11C12H11179.9°179.9°
C10C11C12C135.1°0.0°
C10C11C12H12174.8°180.0°
C11C10C14N3162.8°39.8°
C11C10C14N416.7°140.2°
C14C10C11C12179.3°180.0°
C14C10C11H110.7°0.0°
C10C14N3N4179.6°180.0°
C10C14N3C15178.9°180.0°
C10C14N4C20178.3°179.9°
C10C14N3HN31.0°0.1°
C11C12C13H12179.9°180.0°
C11C12C13N2176.7°180.0°
H11C11C12C13174.9°180.0°
H11C11C12H125.1°0.0°
H12C12C13N23.2°0.0°
C14N3C15C16169.0°179.8°
C14N3C15C200.2°0.0°
C14N3C15HN3179.9°179.9°
N3C14N4C201.3°0.0°
C14N4C20C151.5°0.0°
N4C14N3C150.7°0.0°
C14N4C20C19166.3°179.9°
N4C14N3HN3179.4°179.9°
C16C15C20N3169.9°179.8°
C15C16C17H16180.0°179.8°
C15C16C17C183.8°0.5°
C15C16C17N5178.2°179.8°
C16C15C20C191.1°0.2°
C16C15C20N4170.9°179.8°
C16C15N3HN310.9°0.2°
C20C15C16C173.5°0.5°
C20C15C16H16176.5°179.7°
C15C20C19C185.0°0.0°
C15C20C19N4166.8°180.0°
C15C20C19H19175.0°180.0°
C20C15N3HN3179.7°180.0°
N3C15C16C17170.8°179.8°
N3C15C16H169.1°0.1°
N3C15C20C19168.8°179.9°
N3C15C20N41.0°0.0°
C16C17C18N5174.4°179.7°
C16C17C18C190.1°0.3°
C16C17C18H18179.9°179.8°
C16C17N5C21142.8°66.1°
C16C17N5C245.5°179.7°
H16C16C17C18176.1°179.7°
H16C16C17N51.8°0.0°
C17C18C19H18180.0°180.0°
C17C18C19C204.5°0.0°
C17C18C19H19175.4°180.0°
C18C17N5C2131.1°114.2°
C18C17N5C24179.4°0.0°
N5C17C18C19174.3°180.0°
N5C17C18H185.7°0.0°
C17N5C21C22168.5°176.5°
C17N5C21C24150.1°113.9°
C17N5C21H21143.2°56.4°
C17N5C21H21266.2°63.4°
C17N5C24C23170.4°176.5°
C17N5C24H24164.3°56.4°
C17N5C24H24245.1°63.5°
C18C19C20H19180.0°180.0°
C18C19C20N4171.7°180.0°
H18C18C19C20175.5°180.0°
H18C18C19H194.6°0.0°
H19C19C20N48.2°0.0°
C22C21N5H211125.3°120.0°
C22C21N5H212125.3°120.1°
C22C21H211H212117.6°119.9°
C21C22N6H221125.2°120.0°
C21C22N6H222125.2°120.0°
C21C22H221H222114.9°120.0°
C21C22N6C2357.5°58.6°
C22C21N5C2441.4°62.5°
C21C22N6C25175.0°178.6°
C21C22N6HN665.1°61.4°
N5C21H211H212117.5°119.9°
N5C21C22N654.2°61.4°
N5C21C22H221179.4°58.6°
N5C21C22H22271.1°178.6°
C21N5C24C2339.9°62.6°
C21N5C24H24185.4°57.5°
C21N5C24H242165.2°177.4°
H211C21C22N6179.5°58.7°
H211C21C22H22155.3°178.6°
H211C21C22H22254.2°61.4°
H211C21N5C24166.7°57.5°
H212C21C22N671.0°178.5°
H212C21C22H22154.2°61.6°
H212C21C22H222163.7°58.5°
H212C21N5C2483.9°177.4°
N6C22H221H222115.0°120.0°
C22N6C23C2453.1°58.6°
C22N6C23C25117.4°119.9°
C22N6C23HN6122.7°120.0°
C22N6C23H23172.2°178.6°
C22N6C23H232178.3°61.4°
C22N6C25HN6123.1°120.1°
C22N6C25H251180.0°179.9°
C22N6C25H25254.8°60.1°
C22N6C25H25354.8°60.0°
H221C22N6C23177.3°61.4°
H221C22N6C2559.8°58.6°
H221C22N6HN660.1°178.6°
H222C22N6C2367.7°178.6°
H222C22N6C2549.7°61.4°
H222C22N6HN6169.7°58.6°
C24C23N6H231125.3°120.0°
C24C23N6H232125.2°120.0°
C24C23H231H232115.2°120.0°
C23C24N5H241125.3°120.1°
C23C24N5H242125.3°120.1°
C23C24H241H242116.0°119.9°
C24C23N6C25170.5°178.6°
C24C23N6HN669.6°61.4°
N6C23H231H232115.4°120.0°
N6C23C24N548.1°61.5°
N6C23C24H24177.2°58.6°
N6C23C24H242173.4°178.5°
C23N6C25HN6123.0°120.1°
C23N6C25H25166.1°60.0°
C23N6C25H252168.7°180.0°
C23N6C25H25359.2°59.9°
H231C23C24N577.2°178.5°
H231C23C24H241157.5°61.4°
H231C23C24H24248.1°58.5°
H231C23N6C2545.2°61.4°
H231C23N6HN6165.1°58.6°
H232C23C24N5173.4°58.5°
H232C23C24H24148.1°178.6°
H232C23C24H24261.3°61.5°
H232C23N6C2564.3°58.6°
H232C23N6HN655.6°178.6°
N5C24H241H242116.0°119.8°
N6C25H251H252125.2°120.0°
N6C25H251H253125.2°119.9°
N6C25H252H253118.0°120.0°
H251C25H252H253118.1°120.0°
H251C25N6HN656.9°60.0°
H252C25N6HN668.3°60.0°
H253C25N6HN6177.8°179.9°

224931

PDB entries from 2024-09-11

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