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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C17C16doub1.38Å1.50ÅAromatic
C17C18sing1.38Å1.30ÅAromatic
C16C15sing1.38Å1.30ÅAromatic
C18C13doub1.40Å1.51ÅAromatic
C15C14doub1.38Å1.53ÅAromatic
C13C14sing1.40Å1.28ÅAromatic
C13C12sing1.48Å1.54Å
O1C12doub1.22Å1.14Å
C12N1sing1.35Å1.46Å
C11C8sing1.53Å1.55Å
C11C10sing1.53Å1.48Å
N1C8sing1.47Å1.43Å
N1C9sing1.47Å1.41Å
C7C8sing1.53Å1.52Å
C7C5sing1.51Å1.52Å
C8C10sing1.53Å1.53Å
C5C4doub1.39Å1.51ÅAromatic
C5C6sing1.38Å1.31ÅAromatic
C4C3sing1.38Å1.30ÅAromatic
C9C6sing1.51Å1.50Å
C9C19sing1.51Å1.51Å
C6C1doub1.39Å1.53ÅAromatic
C3O2sing1.36Å1.36Å
C3C2doub1.39Å1.51ÅAromatic
C1C2sing1.38Å1.29ÅAromatic
C19C20doub1.38Å1.31ÅAromatic
C19C24sing1.38Å1.51ÅAromatic
C20C21sing1.38Å1.51ÅAromatic
C24C23doub1.38Å1.29ÅAromatic
C21C22doub1.39Å1.30ÅAromatic
C23C22sing1.39Å1.52ÅAromatic
C22O3sing1.36Å1.39Å
O3C25sing1.43Å1.37Å
C25C26sing1.53Å1.52Å
C26N2sing1.47Å1.19Å
N2C27sing1.49Å1.41Å
N2C30sing1.49Å1.32Å
C27C28sing1.54Å1.51Å
C30C29sing1.54Å1.46Å
C28C29sing1.54Å1.41Å
C29C31sing1.53Å1.58Å
C4H1sing1.08Å1.08Å
C7H2sing1.09Å1.10Å
C7H3sing1.09Å1.10Å
C10H4sing1.09Å1.10Å
C10H5sing1.09Å1.10Å
C15H6sing1.08Å1.08Å
C17H7sing1.08Å1.08Å
C20H8sing1.08Å1.08Å
C21H9sing1.08Å1.08Å
C24H10sing1.08Å1.08Å
C26H11sing1.09Å1.10Å
C26H12sing1.09Å1.10Å
C28H13sing1.09Å1.10Å
C28H14sing1.09Å1.10Å
C1H15sing1.08Å1.08Å
C11H16sing1.09Å1.10Å
C11H17sing1.09Å1.10Å
C14H18sing1.08Å1.08Å
C16H19sing1.08Å1.08Å
C18H20sing1.08Å1.08Å
C2H21sing1.08Å1.08Å
C23H22sing1.08Å1.08Å
C25H23sing1.09Å1.10Å
C25H24sing1.09Å1.10Å
C27H25sing1.09Å1.10Å
C27H26sing1.09Å1.10Å
C29H27sing1.09Å1.10Å
C30H28sing1.09Å1.10Å
C30H29sing1.09Å1.10Å
C31H30sing1.09Å1.10Å
C31H31sing1.09Å1.10Å
C31H32sing1.09Å1.10Å
C9H33sing1.09Å1.10Å
O2H35sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C16C17C18119.6°120.2°
C17C16C15119.0°120.3°
C16C17H7120.2°119.9°
C17C16H19120.5°119.9°
C17C18C13121.4°119.8°
C18C17H7120.2°119.9°
C17C18H20119.2°120.1°
C16C15C14121.3°120.1°
C16C15H6119.3°120.0°
C15C16H19120.5°119.8°
C18C13C14119.6°119.7°
C18C13C12118.2°120.2°
C13C18H20119.3°120.1°
C15C14C13119.0°119.9°
C14C15H6119.3°119.9°
C15C14H18120.5°120.1°
C14C13C12122.1°120.2°
C13C14H18120.5°120.0°
C13C12O1116.4°120.0°
C13C12N1126.8°120.0°
O1C12N1116.7°120.0°
C12N1C8120.8°121.6°
C12N1C9118.2°121.6°
C8C11C1060.8°59.9°
C11C8N1130.6°117.9°
C11C8C7104.3°118.5°
C11C8C1057.4°60.2°
C8C11H16119.9°117.5°
C8C11H17119.8°117.5°
C11C10C861.8°59.9°
C11C10H4119.7°117.5°
C11C10H5119.7°117.5°
C10C11H16119.9°117.5°
C10C11H17119.9°117.5°
C8N1C9121.0°116.7°
N1C8C7111.8°113.6°
N1C8C10128.0°118.1°
N1C9C6112.0°110.5°
N1C9C19112.6°109.3°
N1C9H33107.7°109.3°
C8C7C5115.2°110.2°
C7C8C10113.6°118.6°
C8C7H2108.0°109.4°
C8C7H3108.0°109.3°
C7C5C4118.9°117.1°
C7C5C6121.4°123.2°
C5C7H2108.0°109.3°
C5C7H3108.0°109.3°
C8C10H4119.7°117.6°
C8C10H5119.7°117.5°
C4C5C6119.7°119.7°
C5C4C3119.0°120.7°
C5C4H1120.4°119.7°
C5C6C9123.1°123.5°
C5C6C1120.2°119.5°
C4C3O2118.8°120.3°
C4C3C2121.6°119.5°
C3C4H1120.5°119.6°
C6C9C19111.1°109.3°
C9C6C1116.7°117.0°
C6C9H33106.6°109.3°
C9C19C20119.6°120.0°
C9C19C24119.2°119.9°
C19C9H33106.6°109.1°
C6C1C2119.5°120.8°
C6C1H15120.3°119.6°
O2C3C2119.7°120.2°
C3O2H35109.5°114.0°
C3C2C1119.9°119.7°
C3C2H21120.0°120.1°
C2C1H15120.2°119.6°
C1C2H21120.1°120.2°
C20C19C24121.2°120.1°
C19C20C21119.2°120.1°
C19C20H8120.4°120.0°
C19C24C23118.8°120.0°
C19C24H10120.6°120.0°
C20C21C22120.1°119.9°
C21C20H8120.4°119.9°
C20C21H9120.0°120.1°
C24C23C22121.1°120.0°
C23C24H10120.6°120.0°
C24C23H22119.4°120.0°
C21C22C23119.6°119.9°
C21C22O3120.8°120.1°
C22C21H9120.0°120.0°
C23C22O3119.6°120.0°
C22C23H22119.4°120.0°
C22O3C25116.0°117.0°
O3C25C26104.6°109.5°
O3C25H23110.7°109.5°
O3C25H24110.7°109.5°
C25C26N2106.4°109.4°
C25C26H11110.2°109.5°
C25C26H12110.2°109.4°
C26C25H23110.7°109.5°
C26C25H24110.7°109.4°
C26N2C27110.0°111.0°
C26N2C30107.5°111.0°
N2C26H11110.2°109.5°
N2C26H12110.2°109.5°
C27N2C30107.9°104.2°
N2C27C28102.0°104.6°
N2C27H25111.3°110.4°
N2C27H26111.3°110.5°
N2C30C29103.8°104.6°
N2C30H28110.9°110.4°
N2C30H29110.9°110.5°
C27C28C29101.0°105.1°
C27C28H13111.5°110.3°
C27C28H14111.6°110.4°
C28C27H25111.3°110.4°
C28C27H26111.3°110.4°
C30C29C28109.8°105.1°
C30C29C31101.9°110.3°
C30C29H27111.8°110.4°
C29C30H28110.9°110.4°
C29C30H29110.9°110.4°
C28C29C31110.3°110.3°
C29C28H13111.6°110.3°
C29C28H14111.6°110.3°
C28C29H27112.5°110.3°
C31C29H27110.0°110.3°
C29C31H30109.5°109.5°
C29C31H31109.5°109.4°
C29C31H32109.5°109.4°
H2C7H3109.4°109.3°
H4C10H5109.5°115.6°
H11C26H12109.4°109.5°
H13C28H14109.5°110.2°
H16C11H17109.5°115.6°
H23C25H24109.5°109.4°
H25C27H26109.5°110.4°
H28C30H29109.5°110.4°
H30C31H31109.5°109.5°
H30C31H32109.4°109.5°
H31C31H32109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C16C17C18H7180.0°179.1°
C17C16C15H19180.0°179.2°
C16C17C18C130.5°0.6°
C17C16C15C140.8°0.5°
C17C16C15H6179.2°179.4°
C16C17C18H20179.5°179.5°
C18C17C16C150.5°0.8°
C17C18C13H20180.0°179.9°
C17C18C13C141.2°0.1°
C17C18C13C12178.4°179.7°
C18C17C16H19179.5°180.0°
C16C15C14H6180.0°179.9°
C16C15C14C130.1°0.0°
C15C16C17H7179.5°180.0°
C16C15C14H18179.9°180.0°
C18C13C14C150.9°0.3°
C18C13C14C12177.0°179.8°
C18C13C12O1108.4°56.3°
C18C13C12N167.8°123.6°
C13C18C17H7179.5°179.7°
C18C13C14H18179.1°179.8°
C15C14C13H18180.0°180.0°
C15C14C13C12177.9°180.0°
C14C15C16H19179.2°179.7°
C14C13C12O168.7°123.4°
C14C13C12N1115.1°56.6°
C13C14C15H6179.9°180.0°
C14C13C18H20178.8°180.0°
C13C12O1N1176.6°180.0°
C13C12N1C84.5°175.2°
C13C12N1C9177.0°4.5°
C12C13C14H182.1°0.0°
C12C13C18H201.6°0.2°
O1C12N1C8179.3°4.7°
O1C12N1C90.8°175.5°
C12N1C8C110.1°22.8°
C12N1C8C9178.4°179.8°
C12N1C8C7134.1°122.4°
C12N1C8C1076.6°92.0°
C12N1C9C6140.3°138.4°
C12N1C9C1993.7°101.3°
C12N1C9H3323.4°18.0°
C8C11C10H16109.7°107.5°
C8C11C10H17109.7°107.5°
C11C8N1C7134.0°145.2°
C11C8N1C1076.7°69.3°
C11C8N1C9178.5°157.5°
C11C8C7C1060.3°69.7°
C11C8C7C5173.7°174.2°
C11C8C7H252.9°54.0°
C11C8C7H365.4°65.7°
C8C11C10H4109.9°107.5°
C8C11C10H5110.0°107.4°
C8C11H16H17144.3°145.8°
C11C10H4H5143.8°145.8°
C10C11H16H17144.3°145.7°
N1C8C7C10154.0°145.4°
N1C8C7C528.1°40.9°
C8N1C9C641.2°41.4°
C8N1C9C1984.7°78.9°
N1C8C7H292.8°161.1°
N1C8C7H3148.9°79.3°
N1C8C10H4131.3°0.4°
N1C8C10H58.8°144.7°
N1C8C11H16135.8°144.5°
N1C8C11H174.8°0.7°
C8N1C9H33158.1°161.7°
C9N1C8C747.5°57.4°
C9N1C8C10101.8°88.2°
N1C9C6C516.6°14.8°
N1C9C6C19126.8°120.3°
N1C9C6H33117.6°120.3°
N1C9C19H33117.8°119.4°
N1C9C6C1165.2°166.3°
N1C9C19C20100.8°60.9°
N1C9C19C2479.3°119.1°
C8C7C5H2120.9°120.2°
C8C7C5H3120.8°120.2°
C8C7C5C4173.7°165.0°
C8C7C5C67.8°16.1°
C8C7H2H3117.4°119.7°
C7C8C10H417.6°144.2°
C7C8C10H5157.7°0.8°
C7C8C11H160.6°1.0°
C7C8C11H17141.2°144.1°
C5C7C8C10125.9°104.5°
C7C5C4C6178.5°179.0°
C7C5C4C3179.0°178.1°
C7C5C6C91.8°3.6°
C7C5C6C1179.9°177.5°
C7C5C4H10.9°1.9°
C5C7H2H3117.4°119.6°
C10C8C7H2113.2°15.7°
C10C8C7H35.1°135.3°
C8C10H4H5143.8°145.7°
C5C4C3H1180.0°179.9°
C4C5C6C9179.7°177.5°
C4C5C6C11.6°1.3°
C5C4C3O2179.7°180.0°
C5C4C3C20.6°0.0°
C4C5C7H265.4°44.7°
C4C5C7H352.9°74.9°
C6C5C4C30.6°0.9°
C5C6C9C1178.2°178.9°
C5C6C9C19110.2°105.5°
C5C6C1C21.7°0.9°
C6C5C4H1179.4°179.2°
C6C5C7H2113.0°136.3°
C6C5C7H3128.7°104.1°
C5C6C1H15178.4°179.1°
C5C6C9H33134.1°135.1°
C4C3O2C2179.1°180.0°
C4C3C2C10.6°0.4°
C4C3C2H21179.4°179.6°
C4C3O2H35180.0°89.9°
C6C9C19H33115.7°119.5°
C9C6C1C2179.9°178.0°
C6C9C19C20132.8°60.1°
C6C9C19C2447.1°119.9°
C9C6C1H150.1°2.0°
C19C9C6C168.0°73.4°
C9C19C20C24180.0°179.9°
C9C19C20C21179.9°180.0°
C9C19C24C23179.9°179.5°
C9C19C20H80.1°0.2°
C9C19C24H100.1°0.3°
C6C1C2C30.5°0.1°
C6C1C2H15180.0°180.0°
C6C1C2H21179.5°180.0°
C1C6C9H3347.7°46.0°
O2C3C2C1179.7°179.6°
O2C3C4H10.3°0.1°
O2C3C2H210.3°0.4°
C3C2C1H21180.0°180.0°
C2C3C4H1179.4°179.9°
C3C2C1H15179.5°180.0°
C2C3O2H350.9°90.1°
C19C20C21H8180.0°179.8°
C20C19C24C230.2°0.6°
C19C20C21C220.4°0.2°
C19C20C21H9179.7°179.8°
C20C19C24H10179.8°179.8°
C20C19C9H3317.1°179.7°
C24C19C20C210.1°0.0°
C19C24C23H10180.0°179.2°
C19C24C23C220.7°0.8°
C24C19C20H8179.9°179.7°
C19C24C23H22179.3°180.0°
C24C19C9H33162.9°0.4°
C20C21C22H9180.0°180.0°
C20C21C22C230.9°0.0°
C20C21C22O3179.9°180.0°
C24C23C22C211.1°0.5°
C24C23C22H22180.0°179.2°
C24C23C22O3179.6°179.5°
C21C22C23O3179.3°180.0°
C21C22O3C2523.4°180.0°
C22C21C20H8179.7°180.0°
C21C22C23H22178.9°179.8°
C23C22O3C25157.4°0.1°
C23C22C21H9179.1°180.0°
C22C23C24H10179.3°180.0°
C22O3C25C26164.1°180.0°
O3C22C21H90.1°0.0°
O3C22C23H220.4°0.3°
C22O3C25H2376.6°60.0°
C22O3C25H2444.9°60.0°
O3C25C26H23119.3°120.0°
O3C25C26H24119.2°120.1°
O3C25C26N282.5°65.0°
O3C25C26H1137.0°174.9°
O3C25C26H12157.9°55.0°
O3C25H23H24122.2°120.0°
C25C26N2H11119.5°120.0°
C25C26N2H12119.5°119.9°
C25C26N2C2792.7°70.0°
C25C26N2C30150.2°174.7°
C25C26H11H12121.4°120.0°
C26C25H23H24122.3°119.9°
C26N2C27C30116.9°119.5°
C26N2C27C28158.0°159.0°
C26N2C30C29153.8°159.0°
N2C26H11H12121.4°120.0°
N2C26C25H23158.2°175.0°
N2C26C25H2436.7°55.1°
C26N2C27H2583.2°40.2°
C26N2C27H2639.2°82.2°
C26N2C30H2834.8°82.2°
C26N2C30H2987.1°40.2°
N2C27C28H25118.8°118.8°
N2C27C28H26118.8°118.9°
C27N2C30C2935.3°39.5°
N2C27C28C2928.3°23.9°
C27N2C26H1126.9°50.1°
C27N2C26H12147.8°170.1°
N2C27C28H1390.3°95.1°
N2C27C28H14147.0°142.8°
N2C27H25H26123.5°122.5°
C27N2C30H2883.8°158.3°
C27N2C30H29154.4°79.3°
C30N2C27C2841.1°39.5°
N2C30C29H28119.1°118.8°
N2C30C29H29119.1°118.9°
N2C30C29C2815.3°23.9°
N2C30C29C31132.3°142.8°
C30N2C26H1190.3°65.3°
C30N2C26H1230.6°54.7°
C30N2C27H25159.9°79.3°
C30N2C27H2677.7°158.3°
N2C30C29H27110.3°95.1°
N2C30H28H29122.6°122.5°
C27C28C29C308.9°0.0°
C27C28C29H13118.6°118.9°
C27C28C29H14118.6°119.0°
C27C28C29C31102.7°118.9°
C27C28H13H14124.0°122.2°
C28C27H25H26123.4°122.3°
C27C28C29H27134.0°119.0°
C30C29C28C31111.5°118.9°
C30C29C28H27125.2°119.0°
C30C29C31H27118.7°122.2°
C30C29C28H13109.7°118.9°
C30C29C28H14127.5°119.0°
C29C30H28H29122.6°122.4°
C30C29C31H30180.0°57.1°
C30C29C31H3160.0°62.9°
C30C29C31H3260.0°177.1°
C28C29C31H27124.7°122.1°
C29C28H13H14124.0°122.1°
C29C28C27H25147.1°94.9°
C29C28C27H2690.5°142.8°
C28C29C30H28103.7°142.6°
C28C29C30H29134.4°95.0°
C28C29C31H3063.5°58.6°
C28C29C31H3156.6°178.5°
C28C29C31H32176.5°61.5°
C31C29C28H13138.7°122.2°
C31C29C28H1415.9°0.1°
C31C29C30H2813.2°98.5°
C31C29C30H29108.6°23.9°
C29C31H30H31120.0°119.9°
C29C31H30H32120.0°120.0°
C29C31H31H32120.0°119.9°
H4C10C11H160.2°145.0°
H4C10C11H17140.4°0.0°
H5C10C11H16140.3°0.0°
H5C10C11H170.3°145.1°
H6C15C14H180.1°0.1°
H6C15C16H190.8°0.3°
H7C17C16H190.5°0.9°
H7C17C18H200.5°0.3°
H8C20C21H90.3°0.0°
H10C24C23H220.7°0.8°
H11C26C25H2382.2°54.9°
H11C26C25H24156.2°65.0°
H12C26C25H2338.7°65.0°
H12C26C25H2482.9°175.1°
H13C28C27H2528.5°146.1°
H13C28C27H26150.9°23.8°
H13C28C29H2715.4°0.1°
H14C28C27H2594.2°24.0°
H14C28C27H2628.2°98.3°
H14C28C29H27107.3°122.0°
H15C1C2H210.5°0.0°
H27C29C30H28130.7°23.7°
H27C29C30H298.8°146.0°
H27C29C31H3061.3°179.3°
H27C29C31H31178.7°59.3°
H27C29C31H3258.7°60.7°
H30C31H31H32120.0°120.1°

225946

PDB entries from 2024-10-09

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