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PRD_002393

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1O1sing1.45Å1.38Å
C1C2sing1.51Å1.49Å
C2C8doub1.38Å1.40ÅAromatic
C2C6sing1.38Å1.43ÅAromatic
C3C7sing1.38Å1.39ÅAromatic
C3C6doub1.38Å1.42ÅAromatic
C4C8sing1.38Å1.41ÅAromatic
C4C7doub1.38Å1.39ÅAromatic
C5O1sing1.35Å1.33Å
C5O2doub1.21Å1.22Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C3H3sing1.08Å1.08Å
C4H4sing1.08Å1.08Å
C6H5sing1.08Å1.08Å
C7H6sing1.08Å1.08Å
C8H7sing1.08Å1.08Å
N1C9sing1.46Å1.41Å
N1H8sing0.97Å1.00Å
C9C10sing1.51Å1.51Å
C9C11sing1.53Å1.49Å
C9H9sing1.09Å1.10Å
C10O3doub1.21Å1.22Å
C11C12sing1.51Å1.48Å
C11H10sing1.09Å1.10Å
C11H11sing1.09Å1.10Å
C12C13doub1.38Å1.38ÅAromatic
C12C14sing1.38Å1.37ÅAromatic
C13C15sing1.38Å1.38ÅAromatic
C13H12sing1.08Å1.08Å
C14C16doub1.38Å1.43ÅAromatic
C14H13sing1.08Å1.08Å
C15C17doub1.38Å1.36ÅAromatic
C15H14sing1.08Å1.08Å
C16C17sing1.38Å1.41ÅAromatic
C16H15sing1.08Å1.08Å
C17H16sing1.08Å1.08Å
C19N2sing1.47Å1.49Å
C19C20sing1.54Å1.50Å
N2C18sing1.34Å1.36Å
C20C21sing1.55Å1.57Å
C18C21sing1.51Å1.56Å
C18O4doub1.21Å1.18Å
C21C22sing1.53Å1.52Å
O5C24doub1.21Å1.30Å
C22C23sing1.53Å1.56Å
C23C24sing1.51Å1.57Å
C23N3sing1.47Å1.45Å
N2H17sing0.97Å1.00Å
C19H18sing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C20H20sing1.09Å1.10Å
C20H21sing1.09Å1.10Å
C21H22sing1.09Å1.10Å
C22H23sing1.09Å1.10Å
C22H24sing1.09Å1.10Å
C23H25sing1.09Å1.10Å
N3H26sing0.97Å1.00Å
C24H27sing1.08Å1.08Å
C5N1sing1.35Å1.32Å
C10N3sing1.35Å1.35Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C1C2113.8°109.5°
C1O1C5121.5°117.0°
O1C1H1108.4°109.4°
O1C1H2108.4°109.4°
C1C2C8121.2°120.0°
C1C2C6123.0°120.0°
C2C1H1108.4°109.5°
C2C1H2108.4°109.5°
C8C2C6115.7°120.0°
C2C8C4121.3°120.0°
C2C8H7119.3°120.0°
C2C6C3123.0°120.0°
C2C6H5118.5°120.0°
C7C3C6118.8°120.0°
C3C7C4119.3°120.0°
C7C3H3120.6°120.0°
C3C7H6120.4°120.0°
C6C3H3120.6°119.9°
C3C6H5118.5°120.1°
C8C4C7121.8°120.0°
C8C4H4119.1°120.0°
C4C8H7119.3°120.0°
C7C4H4119.1°120.0°
C4C7H6120.3°120.0°
O1C5O2118.0°120.0°
O1C5N1114.0°120.0°
O2C5N1128.0°120.0°
H1C1H2109.5°109.5°
C9N1H8120.2°120.0°
N1C9C10108.9°109.4°
N1C9C11111.7°109.4°
N1C9H9109.9°109.5°
C9N1C5119.5°120.0°
H8N1C5120.3°120.0°
C10C9C11108.9°109.4°
C10C9H9108.6°109.5°
C9C10O3121.4°120.0°
C9C10N3118.3°120.0°
C11C9H9108.9°109.5°
C9C11C12116.0°109.5°
C9C11H10107.8°109.5°
C9C11H11107.8°109.4°
O3C10N3120.3°120.0°
C12C11H10107.8°109.5°
C12C11H11107.8°109.4°
C11C12C13119.4°120.0°
C11C12C14123.8°120.0°
H10C11H11109.5°109.5°
C13C12C14116.8°120.0°
C12C13C15124.3°120.0°
C12C13H12117.9°120.0°
C12C14C16120.3°120.0°
C12C14H13119.8°120.0°
C15C13H12117.9°120.0°
C13C15C17119.9°120.0°
C13C15H14120.0°120.1°
C16C14H13119.8°120.0°
C14C16C17120.1°120.0°
C14C16H15119.9°120.0°
C17C15H14120.0°120.0°
C15C17C16118.4°120.0°
C15C17H16120.8°120.0°
C17C16H15119.9°120.0°
C16C17H16120.8°120.0°
N2C19C20108.3°105.5°
C19N2C18113.8°111.3°
C19N2H17123.1°124.4°
N2C19H18109.8°110.2°
N2C19H19109.7°110.3°
C19C20C21102.8°101.8°
C20C19H18109.7°110.2°
C20C19H19109.8°110.2°
C19C20H20111.1°111.0°
C19C20H21111.1°111.0°
N2C18C21106.3°110.1°
N2C18O4127.0°124.9°
C18N2H17123.1°124.3°
C20C21C18107.2°104.2°
C20C21C22116.9°110.3°
C21C20H20111.1°111.0°
C21C20H21111.1°110.9°
C20C21H22106.8°110.7°
C21C18O4126.7°124.9°
C18C21C22111.2°110.5°
C18C21H22106.9°110.5°
C21C22C23112.2°109.4°
C22C21H22107.3°110.6°
C21C22H23108.8°109.4°
C21C22H24108.8°109.5°
O5C24C23115.6°120.0°
O5C24H27122.2°120.0°
C22C23C24108.1°109.5°
C22C23N3112.4°109.5°
C23C22H23108.8°109.5°
C23C22H24108.8°109.5°
C22C23H25107.6°109.5°
C24C23N3112.1°109.4°
C24C23H25107.5°109.5°
C23C24H27122.2°120.0°
N3C23H25108.9°109.5°
C23N3H26117.1°120.0°
C23N3C10125.9°120.0°
H18C19H19109.4°110.3°
H20C20H21109.4°110.9°
H23C22H24109.4°109.5°
H26N3C10117.1°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1C2H1120.7°120.0°
O1C1C2H2120.6°119.9°
O1C1C2C8165.9°90.0°
O1C1C2C615.6°89.8°
C1O1C5O23.8°0.0°
O1C1H1H2118.0°119.9°
C1O1C5N1175.7°180.0°
C1C2C8C6178.6°179.8°
C1C2C6C3179.8°179.9°
C1C2C8C4179.2°179.9°
C2C1O1C578.0°180.0°
C2C1H1H2118.1°120.1°
C1C2C6H50.2°0.1°
C1C2C8H70.8°0.1°
C8C2C6C31.7°0.3°
C2C8C4H7180.0°180.0°
C2C8C4C73.2°0.0°
C8C2C1H173.4°150.0°
C8C2C1H245.3°29.9°
C2C8C4H4176.7°179.9°
C8C2C6H5178.3°179.8°
C2C6C3C72.0°0.1°
C2C6C3H5180.0°179.9°
C6C2C8C42.2°0.3°
C6C2C1H1105.1°30.2°
C6C2C1H2136.2°150.3°
C2C6C3H3178.0°179.8°
C6C2C8H7177.8°179.7°
C7C3C6H3180.0°179.8°
C3C7C4C83.4°0.2°
C3C7C4H6180.0°179.8°
C3C7C4H4176.5°179.7°
C7C3C6H5178.0°179.9°
C6C3C7C42.8°0.2°
C6C3C7H6177.2°179.9°
C8C4C7H4180.0°179.9°
C8C4C7H6176.5°179.9°
C4C7C3H3177.2°180.0°
C7C4C8H7176.8°179.9°
O1C5O2N1179.5°180.0°
C5O1C1H1161.4°60.0°
C5O1C1H242.6°60.0°
O1C5N1C9172.7°180.0°
O1C5N1H87.3°0.0°
O2C5N1C96.8°0.0°
O2C5N1H8173.2°180.0°
H3C3C6H52.0°0.1°
H3C3C7H62.8°0.2°
H4C4C7H63.5°0.1°
H4C4C8H73.2°0.0°
C9N1H8C5180.0°180.0°
N1C9C10C11122.0°119.9°
N1C9C10H9119.6°120.0°
N1C9C11H9121.5°120.0°
N1C9C10O339.9°0.0°
N1C9C11C1262.4°65.1°
N1C9C11H1058.5°55.0°
N1C9C11H11176.6°175.0°
N1C9C10N3138.5°180.0°
H8N1C9C10122.8°25.0°
H8N1C9C112.5°94.9°
H8N1C9H9118.4°145.0°
C10C9C11H9118.2°120.0°
C9C10O3N3178.4°179.9°
C10C9C11C12177.2°175.0°
C10C9C11H1061.8°64.9°
C10C9C11H1156.3°55.1°
C9C10N3C23174.8°179.9°
C9C10N3H265.2°0.0°
C10C9N1C557.1°155.0°
C11C9C10O382.1°120.0°
C9C11C12H10121.0°120.1°
C9C11C12H11120.9°120.0°
C9C11H10H11117.0°120.0°
C9C11C12C13158.1°90.0°
C9C11C12C1419.0°90.2°
C11C9N1C5177.5°85.0°
C11C9C10N399.5°60.1°
H9C9C10O3159.5°120.0°
H9C9C11C1259.0°55.0°
H9C9C11H10180.0°175.0°
H9C9C11H1161.9°65.0°
H9C9N1C561.7°35.0°
H9C9C10N318.9°60.0°
O3C10N3C236.7°0.0°
O3C10N3H26173.3°179.9°
C12C11H10H11117.1°120.0°
C11C12C13C14177.3°179.8°
C11C12C13C15178.6°180.0°
C11C12C13H121.4°0.1°
C11C12C14C16179.4°180.0°
C11C12C14H130.6°0.1°
H10C11C12C1337.1°30.1°
H10C11C12C14140.0°149.7°
H11C11C12C1381.0°150.1°
H11C11C12C14101.9°29.8°
C12C13C15H12180.0°179.9°
C13C12C14C163.4°0.2°
C13C12C14H13176.6°179.8°
C12C13C15C173.2°0.1°
C12C13C15H14176.8°180.0°
C14C12C13C151.3°0.2°
C14C12C13H12178.7°179.7°
C12C14C16H13180.0°180.0°
C12C14C16C171.3°0.0°
C12C14C16H15178.7°180.0°
C13C15C17H14180.0°179.9°
C13C15C17C165.3°0.3°
C13C15C17H16174.8°180.0°
H12C13C15C17176.8°180.0°
H12C13C15H143.2°0.1°
C14C16C17C153.1°0.3°
C14C16C17H15180.0°180.0°
C14C16C17H16176.9°180.0°
H13C14C16C17178.7°180.0°
H13C14C16H151.3°0.0°
C15C17C16H16180.0°179.7°
C15C17C16H15176.9°179.7°
H14C15C17C16174.8°179.8°
H14C15C17H165.2°0.0°
H15C16C17H163.1°0.0°
N2C19C20H18119.9°119.0°
N2C19C20H19119.8°119.0°
C19N2C18H17180.0°179.9°
N2C19C20C2112.1°25.4°
C19N2C18C211.8°0.4°
C19N2C18O4177.7°179.9°
N2C19H18H19120.5°122.0°
N2C19C20H20131.0°143.5°
N2C19C20H21106.8°92.7°
C20C19N2C189.4°17.0°
C19C20C21H20118.9°118.2°
C19C20C21H21118.9°118.1°
C19C20C21C1811.1°24.8°
C19C20C21C22136.7°143.4°
C20C19N2H17170.6°163.0°
C20C19H18H19120.5°122.0°
C19C20H20H21123.1°123.8°
C19C20C21H22103.2°94.0°
N2C18C21C206.0°16.2°
N2C18C21O4179.5°179.7°
N2C18C21C22135.0°134.7°
C18N2C19H18110.4°101.9°
C18N2C19H19129.3°136.0°
N2C18C21H22108.2°102.7°
C20C21C18C22128.9°118.5°
C20C21C18H22114.2°118.9°
C20C21C18O4174.5°163.5°
C20C21C22H22119.8°122.8°
C20C21C22C2361.1°70.2°
C21C20C19H18107.8°93.6°
C21C20C19H19131.9°144.4°
C21C20H20H21123.1°123.7°
C20C21C22H2359.4°49.8°
C20C21C22H24178.5°169.9°
C18C21C22H22116.6°122.6°
C18C21C22C23175.3°175.2°
C21C18N2H17178.2°179.6°
C18C21C20H20130.0°142.9°
C18C21C20H21107.9°93.4°
C18C21C22H2364.2°64.9°
C18C21C22H2454.9°55.2°
O4C18C21C2245.5°45.0°
O4C18N2H172.3°0.1°
O4C18C21H2271.4°77.6°
C21C22C23H23120.4°120.0°
C21C22C23H24120.4°120.0°
C21C22C23C24172.3°175.2°
C21C22C23N363.5°64.8°
C22C21C20H20104.4°98.5°
C22C21C20H2117.7°25.2°
C21C22H23H24118.8°120.0°
C21C22C23H2556.4°55.2°
O5C24C23C2268.5°120.0°
O5C24C23H27180.0°180.0°
O5C24C23N3167.1°0.0°
O5C24C23H2547.5°120.0°
C22C23C24N3124.4°120.0°
C22C23C24H25115.9°120.0°
C22C23N3H25119.2°120.0°
C23C22C21H2258.8°52.6°
C23C22H23H24118.7°120.0°
C22C23N3H2664.5°26.6°
C22C23C24H27111.5°60.0°
C22C23N3C10115.5°153.3°
C24C23N3H25118.9°120.0°
C24C23C22H2351.9°55.3°
C24C23C22H2467.3°64.8°
C24C23N3H2657.5°93.4°
C24C23N3C10122.5°86.7°
N3C23C22H23176.0°175.2°
N3C23C22H2456.9°55.1°
C23N3H26C10180.0°179.9°
N3C23C24H2712.8°180.0°
H17N2C19H1869.6°78.0°
H17N2C19H1950.7°44.0°
H18C19C20H2011.2°24.6°
H18C19C20H21133.3°148.3°
H19C19C20H20109.2°97.5°
H19C19C20H2113.0°26.3°
H20C20C21H2215.8°24.2°
H21C20C21H22137.9°147.9°
H22C21C22H23179.2°172.6°
H22C21C22H2461.7°67.4°
H23C22C23H2564.0°64.8°
H24C22C23H25176.8°175.2°
H25C23N3H26176.3°146.6°
H25C23C24H27132.5°60.0°
H25C23N3C103.7°33.3°

247947

PDB entries from 2026-01-21

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