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HOI

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C20C21sing1.38Å1.40ÅAromatic
C20C19doub1.39Å1.40ÅAromatic
O3C19sing1.36Å1.36Å
C21C22doub1.38Å1.40ÅAromatic
C19C18sing1.40Å1.40ÅAromatic
C12C13doub1.38Å1.40ÅAromatic
C12C11sing1.39Å1.40ÅAromatic
C31O5sing1.43Å1.43Å
O5C11sing1.36Å1.36Å
C22C17sing1.38Å1.40ÅAromatic
C18C17doub1.41Å1.38ÅAromatic
C18C23sing1.47Å1.48Å
C13C14sing1.38Å1.41ÅAromatic
C11C10doub1.39Å1.40ÅAromatic
O4C23doub1.22Å1.22Å
C17N2sing1.39Å1.37Å
C23N3sing1.35Å1.38Å
C10C9sing1.51Å1.52Å
C10C15sing1.38Å1.41ÅAromatic
C14C15doub1.38Å1.41ÅAromatic
C14C16sing1.51Å1.54Å
C9O2sing1.43Å1.44Å
N3C16sing1.46Å1.45Å
N3C24sing1.46Å1.48Å
N2C16sing1.47Å1.46Å
C24C25sing1.51Å1.52Å
O2C6sing1.36Å1.38Å
C6C7doub1.39Å1.40ÅAromatic
C6C5sing1.39Å1.40ÅAromatic
C25C30doub1.38Å1.41ÅAromatic
C25C26sing1.38Å1.39ÅAromatic
C7C8sing1.38Å1.40ÅAromatic
C30C29sing1.38Å1.40ÅAromatic
C5C4doub1.38Å1.40ÅAromatic
C26C27doub1.38Å1.40ÅAromatic
C8C3doub1.39Å1.40ÅAromatic
C29C28doub1.38Å1.39ÅAromatic
C4C3sing1.39Å1.40ÅAromatic
C27C28sing1.38Å1.40ÅAromatic
C3N1sing1.40Å1.42Å
N1C2sing1.35Å1.38Å
O1C2doub1.21Å1.22Å
C2C1sing1.51Å1.52Å
N1H1sing0.97Å1.00Å
C4H2sing1.08Å1.08Å
C5H3sing1.08Å1.08Å
C7H4sing1.08Å1.08Å
C8H5sing1.08Å1.08Å
C13H6sing1.08Å1.08Å
C15H7sing1.08Å1.08Å
C20H8sing1.08Å1.08Å
C21H9sing1.08Å1.08Å
C22H10sing1.08Å1.08Å
C24H11sing1.09Å1.10Å
C24H12sing1.09Å1.10Å
C26H13sing1.08Å1.08Å
C28H14sing1.08Å1.08Å
C1H15sing1.09Å1.10Å
C1H16sing1.09Å1.10Å
C1H17sing1.09Å1.10Å
N2H18sing0.97Å1.00Å
O3H19sing0.97Å0.95Å
C9H20sing1.09Å1.10Å
C9H21sing1.09Å1.10Å
C12H22sing1.08Å1.08Å
C16H23sing1.09Å1.10Å
C27H24sing1.08Å1.08Å
C29H25sing1.08Å1.08Å
C30H26sing1.08Å1.08Å
C31H27sing1.09Å1.10Å
C31H28sing1.09Å1.10Å
C31H29sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C21C20C19119.8°120.5°
C20C21C22119.1°120.7°
C21C20H8120.0°119.7°
C20C21H9120.4°119.7°
C20C19O3119.8°120.3°
C20C19C18120.2°119.4°
C19C20H8120.1°119.8°
O3C19C18120.0°120.3°
C19O3H19109.5°114.1°
C21C22C17120.5°119.7°
C22C21H9120.4°119.6°
C21C22H10119.8°120.1°
C19C18C17120.0°119.7°
C19C18C23122.1°121.9°
C13C12C11119.9°119.9°
C12C13C14120.5°120.1°
C12C13H6119.7°119.9°
C13C12H22120.0°120.1°
C12C11O5120.2°120.0°
C12C11C10120.7°119.9°
C11C12H22120.0°120.1°
C31O5C11117.9°117.0°
O5C31H27109.5°109.5°
O5C31H28109.4°109.5°
O5C31H29109.5°109.5°
O5C11C10118.9°120.1°
C22C17C18120.1°120.0°
C22C17N2122.0°121.9°
C17C22H10119.7°120.1°
C17C18C23117.9°118.4°
C18C17N2117.8°118.1°
C18C23O4119.3°120.3°
C18C23N3118.1°119.3°
C13C14C15117.9°120.1°
C13C14C16122.8°119.9°
C14C13H6119.7°120.0°
C11C10C9118.7°120.0°
C11C10C15118.5°119.9°
O4C23N3122.6°120.4°
C17N2C16118.6°118.5°
C17N2H18107.1°120.7°
C23N3C16121.4°121.2°
C23N3C24120.2°119.4°
C9C10C15122.8°120.1°
C10C9O2112.4°109.5°
C10C9H20108.7°109.5°
C10C9H21108.7°109.5°
C10C15C14121.5°120.0°
C10C15H7119.3°120.0°
C15C14C16119.1°119.9°
C14C15H7119.2°120.0°
C14C16N3113.7°109.3°
C14C16N2113.1°109.3°
C14C16H23106.8°109.2°
C9O2C6123.1°117.0°
O2C9H20108.7°109.4°
O2C9H21108.7°109.5°
C16N3C24117.1°119.3°
N3C16N2107.5°110.3°
N3C16H23107.8°109.3°
N3C24C25117.6°109.5°
N3C24H11107.4°109.5°
N3C24H12107.4°109.5°
C16N2H18107.2°120.8°
N2C16H23107.7°109.4°
C24C25C30120.4°120.0°
C24C25C26119.7°120.0°
C25C24H11107.4°109.4°
C25C24H12107.4°109.4°
O2C6C7118.4°120.0°
O2C6C5122.3°120.0°
C7C6C5119.3°120.0°
C6C7C8120.6°120.0°
C6C7H4119.7°119.9°
C6C5C4120.0°120.0°
C6C5H3120.0°120.0°
C30C25C26119.1°120.0°
C25C30C29120.8°120.0°
C25C30H26119.6°120.0°
C25C26C27120.0°120.0°
C25C26H13120.0°120.0°
C7C8C3120.4°120.0°
C8C7H4119.7°120.0°
C7C8H5119.8°120.0°
C30C29C28119.8°120.0°
C30C29H25120.1°120.0°
C29C30H26119.6°120.0°
C5C4C3121.0°120.0°
C5C4H2119.5°120.0°
C4C5H3120.0°120.0°
C26C27C28120.7°120.0°
C27C26H13120.0°119.9°
C26C27H24119.7°120.1°
C8C3C4118.8°119.9°
C8C3N1122.2°120.1°
C3C8H5119.8°119.9°
C29C28C27119.5°120.0°
C29C28H14120.2°120.0°
C28C29H25120.1°120.0°
C4C3N1119.1°120.0°
C3C4H2119.5°120.0°
C27C28H14120.2°120.0°
C28C27H24119.7°119.9°
C3N1C2129.6°120.0°
C3N1H1115.3°120.0°
N1C2O1123.7°120.0°
N1C2C1114.4°120.0°
C2N1H1115.2°120.0°
O1C2C1121.9°120.0°
C2C1H15109.5°109.5°
C2C1H16109.5°109.5°
C2C1H17109.5°109.5°
H11C24H12109.4°109.4°
H15C1H16109.5°109.4°
H15C1H17109.5°109.5°
H16C1H17109.4°109.5°
H20C9H21109.5°109.5°
H27C31H28109.5°109.5°
H27C31H29109.5°109.4°
H28C31H29109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C21C20C19H8180.0°179.5°
C21C20C19O3178.0°180.0°
C20C21C22H9180.0°179.5°
C21C20C19C180.2°0.0°
C20C21C22C171.2°0.9°
C20C21C22H10178.8°180.0°
C20C19O3C18178.2°180.0°
C19C20C21C222.3°0.6°
C20C19C18C173.0°0.2°
C20C19C18C23174.8°178.9°
C19C20C21H9177.8°179.9°
C20C19O3H19178.6°90.0°
O3C19C18C17178.8°179.7°
O3C19C18C233.4°1.1°
O3C19C20H82.0°0.5°
C21C22C17H10180.0°179.1°
C21C22C17C182.0°0.7°
C21C22C17N2179.1°179.8°
C22C21C20H8177.8°179.9°
C19C18C17C224.0°0.1°
C19C18C17C23177.9°179.2°
C19C18C23O415.2°13.4°
C19C18C17N2178.7°179.6°
C19C18C23N3162.7°166.7°
C18C19C20H8179.8°179.5°
C18C19O3H193.1°89.9°
C13C12C11H22180.0°179.8°
C13C12C11O5168.9°179.9°
C12C13C14H6180.0°179.8°
C13C12C11C105.8°0.0°
C12C13C14C157.3°0.2°
C12C13C14C16167.5°180.0°
C12C11O5C3142.6°0.1°
C12C11O5C10174.8°179.9°
C11C12C13C143.1°0.2°
C12C11C10C9171.3°180.0°
C12C11C10C1510.1°0.2°
C11C12C13H6176.9°180.0°
C31O5C11C10132.2°180.0°
O5C31H27H28120.0°120.1°
O5C31H27H29120.0°120.0°
O5C31H28H29120.0°119.9°
O5C11C10C913.9°0.1°
O5C11C10C15164.7°179.7°
O5C11C12H2211.1°0.3°
C11O5C31H27180.0°179.9°
C11O5C31H2860.0°60.0°
C11O5C31H2960.0°59.9°
C22C17C18N2177.3°179.5°
C22C17C18C23173.8°179.3°
C22C17N2C16138.6°150.3°
C17C22C21H9178.8°179.5°
C22C17N2H1817.3°30.2°
C17C18C23O4167.0°165.8°
C17C18C23N315.1°14.2°
C18C17N2C1638.7°29.1°
C18C17C22H10178.0°179.8°
C18C17N2H18160.0°150.3°
C18C23O4N3177.8°180.0°
C23C18C17N23.5°1.2°
C18C23N3C160.7°3.7°
C18C23N3C24167.5°176.6°
C13C14C15C102.9°0.0°
C13C14C15C16175.0°179.8°
C13C14C16N3107.9°30.1°
C13C14C16N215.1°150.9°
C13C14C15H7177.1°179.9°
C14C13C12H22176.9°180.0°
C13C14C16H23133.3°89.5°
C11C10C9C15178.5°179.8°
C11C10C15C145.7°0.2°
C11C10C9O2173.0°179.7°
C11C10C15H7174.3°179.7°
C11C10C9H2052.5°59.8°
C11C10C9H2166.6°60.2°
C10C11C12H22174.2°179.8°
O4C23N3C16177.1°176.3°
O4C23N3C2410.3°3.4°
C17N2C16C1475.6°76.0°
C17N2C16N350.8°44.2°
C17N2C16H18121.3°179.4°
N2C17C22H100.9°0.8°
C17N2C16H23166.7°164.5°
C23N3C16C1495.2°89.0°
C23N3C16C24167.1°179.7°
C23N3C16N230.8°31.2°
C23N3C24C25135.2°90.3°
C23N3C24H1114.0°29.7°
C23N3C24H12103.6°149.7°
C23N3C16H23146.6°151.5°
C9C10C15C14175.8°180.0°
C10C9O2H20120.5°120.0°
C10C9O2H21120.4°120.0°
C10C9O2C6103.2°180.0°
C9C10C15H74.2°0.1°
C10C9H20H21118.7°120.0°
C10C15C14H7180.0°179.9°
C10C15C14C16172.1°179.8°
C15C10C9O28.5°0.1°
C15C10C9H20128.9°120.0°
C15C10C9H21112.0°120.0°
C15C14C16N377.3°149.7°
C15C14C16N2159.7°28.9°
C15C14C13H6172.6°180.0°
C15C14C16H2341.4°90.7°
C14C16N3N2126.0°120.2°
C14C16N3H23118.1°119.5°
C14C16N3C2471.9°90.7°
C14C16N2H23117.7°119.5°
C16C14C13H612.5°0.2°
C16C14C15H77.9°0.3°
C14C16N2H1845.7°104.6°
C9O2C6C7154.7°179.9°
C9O2C6C524.7°0.1°
O2C9H20H21118.6°120.0°
N3C16N2H23116.0°120.3°
C16N3C24C2557.5°90.0°
C16N3C24H11178.7°150.0°
C16N3C24H1263.7°30.0°
N3C16N2H18172.0°135.2°
C24N3C16N2162.1°149.1°
N3C24C25H11121.2°120.0°
N3C24C25H12121.2°120.1°
N3C24C25C30129.8°89.9°
N3C24C25C2660.1°90.0°
N3C24H11H12116.3°120.1°
C24N3C16H2346.2°28.8°
C24C25C30C26170.2°179.9°
C24C25C30C29171.0°179.9°
C24C25C26C27169.1°180.0°
C25C24H11H12116.3°119.9°
C24C25C26H1310.9°0.3°
C24C25C30H269.0°0.0°
O2C6C7C5179.4°179.9°
O2C6C7C8179.5°180.0°
O2C6C5C4179.4°180.0°
O2C6C5H30.6°0.1°
O2C6C7H40.5°0.1°
C6O2C9H20136.3°60.0°
C6O2C9H2117.2°60.0°
C6C7C8H4180.0°179.9°
C7C6C5C40.0°0.1°
C6C7C8C31.1°0.1°
C7C6C5H3179.9°180.0°
C6C7C8H5178.9°180.0°
C5C6C7C80.1°0.1°
C6C5C4H3180.0°180.0°
C6C5C4C31.4°0.1°
C6C5C4H2178.6°179.7°
C5C6C7H4179.9°179.9°
C25C30C29H26180.0°179.9°
C30C25C26C271.1°0.0°
C25C30C29C281.9°0.2°
C30C25C24H11109.0°30.1°
C30C25C24H128.6°150.0°
C30C25C26H13178.9°179.7°
C25C30C29H25178.1°179.6°
C26C25C30C290.8°0.0°
C25C26C27H13180.0°179.7°
C25C26C27C282.0°0.3°
C26C25C24H1161.1°150.0°
C26C25C24H12178.7°30.1°
C25C26C27H24178.0°179.7°
C26C25C30H26179.2°179.9°
C7C8C3H5180.0°179.9°
C7C8C3C42.4°0.1°
C7C8C3N1178.2°179.8°
C30C29C28H25180.0°179.9°
C30C29C28C271.1°0.5°
C30C29C28H14178.9°179.9°
C5C4C3C82.6°0.1°
C5C4C3H2180.0°179.8°
C5C4C3N1178.0°179.7°
C26C27C28C290.8°0.6°
C26C27C28H24180.0°180.0°
C26C27C28H14179.2°180.0°
C8C3C4N1179.4°179.7°
C8C3N1C229.5°145.2°
C8C3N1H1150.5°35.1°
C8C3C4H2177.4°179.7°
C3C8C7H4178.8°180.0°
C29C28C27H14180.0°179.4°
C29C28C27H24179.2°179.5°
C28C29C30H26178.1°179.7°
C4C3N1C2151.1°35.1°
C4C3N1H128.9°144.6°
C3C4C5H3178.6°180.0°
C4C3C8H5177.6°180.0°
C28C27C26H13178.0°180.0°
C27C28C29H25178.9°179.4°
C3N1C2H1180.0°179.7°
C3N1C2O10.7°4.3°
C3N1C2C1178.2°175.6°
N1C3C4H22.0°0.0°
N1C3C8H51.8°0.3°
N1C2O1C1178.9°180.0°
N1C2C1H15178.9°0.0°
N1C2C1H1661.0°120.0°
N1C2C1H1758.9°120.0°
O1C2N1H1179.3°175.4°
O1C2C1H150.0°180.0°
O1C2C1H16120.0°60.0°
O1C2C1H17120.0°60.0°
C1C2N1H11.8°4.6°
C2C1H15H16120.0°120.0°
C2C1H15H17120.0°120.0°
C2C1H16H17120.0°120.0°
H2C4C5H31.4°0.3°
H4C7C8H51.1°0.0°
H6C13C12H223.1°0.2°
H8C20C21H92.2°0.4°
H9C21C22H101.2°0.5°
H13C26C27H242.0°0.0°
H14C28C27H240.8°0.1°
H14C28C29H251.1°0.0°
H15C1H16H17120.0°120.0°
H18N2C16H2372.0°14.9°
H25C29C30H261.9°0.4°
H27C31H28H29120.0°119.9°

224931

PDB entries from 2024-09-11

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