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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C14C13doub1.38Å1.29ÅAromatic
C14C15sing1.38Å1.52ÅAromatic
C13C12sing1.38Å1.50ÅAromatic
C15C16doub1.38Å1.31ÅAromatic
C12C11doub1.40Å1.31ÅAromatic
C16C11sing1.40Å1.50ÅAromatic
C11C10sing1.48Å1.51Å
O1C10doub1.22Å1.14Å
C10N1sing1.35Å1.45Å
C28C8sing1.53Å1.55Å
C28C27sing1.53Å1.46Å
N1C8sing1.47Å1.49Å
N1C9sing1.47Å1.44Å
C8C7sing1.53Å1.56Å
C8C27sing1.52Å1.55Å
C7C5sing1.51Å1.50Å
C5C4doub1.39Å1.54ÅAromatic
C5C6sing1.38Å1.28ÅAromatic
C4C3sing1.38Å1.30ÅAromatic
C6C9sing1.51Å1.49Å
C6C1doub1.39Å1.53ÅAromatic
C9C17sing1.51Å1.51Å
C3O2sing1.36Å1.34Å
C3C2doub1.39Å1.48ÅAromatic
C1C2sing1.38Å1.29ÅAromatic
C17C22doub1.38Å1.50ÅAromatic
C17C18sing1.38Å1.31ÅAromatic
C22C21sing1.38Å1.31ÅAromatic
C18C19doub1.38Å1.51ÅAromatic
C21C20doub1.39Å1.51ÅAromatic
C19C20sing1.39Å1.30ÅAromatic
C20O3sing1.36Å1.40Å
O3C23sing1.43Å1.38Å
C23C24sing1.53Å1.53Å
C24N2sing1.47Å1.45Å
C25N2sing1.47Å1.44Å
N2C26sing1.47Å1.45Å
C4H1sing1.08Å1.08Å
C7H2sing1.09Å1.10Å
C7H3sing1.09Å1.10Å
C13H4sing1.08Å1.08Å
C15H5sing1.08Å1.08Å
C21H6sing1.08Å1.08Å
C22H7sing1.08Å1.08Å
C24H8sing1.09Å1.10Å
C24H9sing1.09Å1.10Å
C26H10sing1.09Å1.10Å
C26H11sing1.09Å1.10Å
C26H12sing1.09Å1.10Å
C28H13sing1.09Å1.10Å
C28H14sing1.09Å1.10Å
C1H15sing1.08Å1.08Å
C12H16sing1.08Å1.08Å
C14H17sing1.08Å1.08Å
C16H18sing1.08Å1.08Å
C18H19sing1.08Å1.08Å
C19H20sing1.08Å1.08Å
C2H21sing1.08Å1.08Å
C23H22sing1.09Å1.10Å
C23H23sing1.09Å1.10Å
C25H24sing1.09Å1.10Å
C25H25sing1.09Å1.10Å
C25H26sing1.09Å1.10Å
C27H27sing1.09Å1.10Å
C27H28sing1.09Å1.10Å
C9H29sing1.09Å1.10Å
O2H31sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C13C14C15120.7°120.3°
C14C13C12118.2°120.2°
C14C13H4120.9°119.9°
C13C14H17119.7°119.8°
C14C15C16121.4°120.1°
C14C15H5119.3°119.9°
C15C14H17119.7°119.9°
C13C12C11121.5°119.8°
C12C13H4120.9°119.9°
C13C12H16119.3°120.1°
C15C16C11117.6°119.8°
C16C15H5119.3°119.9°
C15C16H18121.2°120.1°
C12C11C16120.6°119.8°
C12C11C10111.5°120.2°
C11C12H16119.3°120.1°
C16C11C10127.7°120.1°
C11C16H18121.2°120.1°
C11C10O1116.5°119.9°
C11C10N1122.4°120.1°
O1C10N1120.6°120.0°
C10N1C8118.2°121.7°
C10N1C9120.5°121.7°
C8C28C2762.0°59.9°
C28C8N1136.2°118.0°
C28C8C7111.2°118.6°
C28C8C2756.4°60.2°
C8C28H13119.7°117.5°
C8C28H14119.7°117.5°
C28C27C861.7°59.9°
C27C28H13119.7°117.5°
C27C28H14119.7°117.5°
C28C27H27119.7°117.5°
C28C27H28119.7°117.5°
C8N1C9121.3°116.7°
N1C8C7110.1°113.5°
N1C8C27120.8°118.0°
N1C9C6112.4°110.4°
N1C9C17114.7°109.3°
N1C9H29106.9°109.3°
C7C8C27108.9°118.6°
C8C7C5117.9°110.2°
C8C7H2107.3°109.4°
C8C7H3107.3°109.3°
C8C27H27119.7°117.5°
C8C27H28119.7°117.5°
C7C5C4116.8°117.0°
C7C5C6122.9°123.2°
C5C7H2107.3°109.4°
C5C7H3107.3°109.3°
C4C5C6120.3°119.7°
C5C4C3120.1°120.6°
C5C4H1119.9°119.7°
C5C6C9123.4°123.5°
C5C6C1118.0°119.6°
C4C3O2121.5°120.2°
C4C3C2120.1°119.5°
C3C4H1120.0°119.7°
C9C6C1118.6°116.9°
C6C9C17109.9°109.3°
C6C9H29106.3°109.3°
C6C1C2121.9°120.8°
C6C1H15119.1°119.6°
C9C17C22118.7°119.9°
C9C17C18121.3°119.9°
C17C9H29106.1°109.1°
O2C3C2118.5°120.3°
C3O2H31109.5°114.0°
C3C2C1119.7°119.7°
C3C2H21120.1°120.1°
C2C1H15119.0°119.6°
C1C2H21120.2°120.2°
C22C17C18120.0°120.2°
C17C22C21119.1°120.0°
C17C22H7120.4°120.0°
C17C18C19120.5°120.0°
C17C18H19119.8°120.0°
C22C21C20121.3°120.0°
C22C21H6119.3°120.0°
C21C22H7120.4°120.0°
C18C19C20120.4°119.9°
C19C18H19119.8°120.0°
C18C19H20119.8°120.0°
C21C20C19118.8°119.9°
C21C20O3122.2°120.1°
C20C21H6119.4°120.0°
C19C20O3119.0°120.1°
C20C19H20119.8°120.1°
C20O3C23117.2°117.0°
O3C23C24108.0°109.4°
O3C23H22109.8°109.5°
O3C23H23109.8°109.5°
C23C24N2108.8°109.5°
C23C24H8109.7°109.5°
C23C24H9109.6°109.5°
C24C23H22109.8°109.5°
C24C23H23109.8°109.5°
C24N2C25105.3°111.0°
C24N2C26108.7°111.0°
N2C24H8109.6°109.4°
N2C24H9109.6°109.5°
C25N2C26108.9°111.0°
N2C25H24109.5°109.5°
N2C25H25109.5°109.5°
N2C25H26109.4°109.5°
N2C26H10109.5°109.5°
N2C26H11109.5°109.5°
N2C26H12109.4°109.5°
H2C7H3109.4°109.3°
H8C24H9109.5°109.5°
H10C26H11109.5°109.5°
H10C26H12109.5°109.5°
H11C26H12109.4°109.4°
H13C28H14109.5°115.6°
H22C23H23109.5°109.5°
H24C25H25109.5°109.5°
H24C25H26109.4°109.5°
H25C25H26109.5°109.5°
H27C27H28109.5°115.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C13C14C15H17180.0°180.0°
C14C13C12H4180.0°179.7°
C13C14C15C160.2°0.0°
C14C13C12C110.2°0.3°
C13C14C15H5179.9°179.7°
C14C13C12H16179.8°179.7°
C15C14C13C121.0°0.0°
C14C15C16H5180.0°179.8°
C14C15C16C111.7°0.2°
C15C14C13H4179.0°179.7°
C14C15C16H18178.3°179.8°
C13C12C11H16180.0°180.0°
C13C12C11C162.1°0.5°
C13C12C11C10177.1°180.0°
C12C13C14H17179.0°180.0°
C15C16C11C122.9°0.5°
C15C16C11H18180.0°180.0°
C15C16C11C10177.0°180.0°
C16C15C14H17179.8°180.0°
C12C11C16C10174.1°179.5°
C12C11C10O1108.4°44.5°
C12C11C10N163.2°135.4°
C11C12C13H4179.8°180.0°
C12C11C16H18177.1°179.5°
C16C11C10O166.2°135.0°
C16C11C10N1122.2°45.0°
C11C16C15H5178.3°180.0°
C16C11C12H16177.9°179.5°
C11C10O1N1171.7°179.9°
C11C10N1C87.4°175.6°
C11C10N1C9172.6°4.2°
C10C11C12H162.9°0.0°
C10C11C16H183.0°0.0°
O1C10N1C8178.7°4.3°
O1C10N1C91.3°175.9°
C10N1C8C2817.8°23.2°
C10N1C8C9180.0°179.8°
C10N1C8C7142.0°122.1°
C10N1C8C2789.7°92.5°
C10N1C9C6139.3°138.4°
C10N1C9C1794.2°101.2°
C10N1C9H2923.1°18.1°
C8C28C27H13110.0°107.4°
C8C28C27H14110.0°107.5°
C28C8N1C7159.7°145.4°
C28C8N1C2771.9°69.3°
C28C8N1C9162.2°157.0°
C28C8C7C2760.3°69.7°
C28C8C7C5178.6°174.0°
C28C8C7H260.2°53.8°
C28C8C7H357.4°65.9°
C8C28H13H14143.7°145.7°
C8C28C27H27109.9°107.5°
C8C28C27H28109.9°107.4°
C27C28H13H14143.7°145.8°
C28C27H27H28143.8°145.8°
N1C8C7C27134.5°145.1°
N1C8C7C516.3°40.9°
C8N1C9C640.7°41.4°
C8N1C9C1785.8°79.0°
N1C8C7H2104.9°161.1°
N1C8C7H3137.5°79.3°
N1C8C28H13148.8°144.5°
N1C8C28H148.8°0.6°
N1C8C27H27122.3°0.5°
N1C8C27H2817.9°144.6°
C8N1C9H29156.9°161.7°
C9N1C8C738.1°57.7°
C9N1C8C2790.3°87.7°
N1C9C6C521.1°14.1°
N1C9C6C17129.0°120.3°
N1C9C6H29116.6°120.3°
N1C9C6C1160.2°166.4°
N1C9C17H29117.7°119.5°
N1C9C17C2298.7°20.8°
N1C9C17C1883.0°159.4°
C8C7C5H2121.2°120.2°
C8C7C5H3121.2°120.1°
C8C7C5C4179.3°165.6°
C8C7C5C60.0°15.5°
C8C7H2H3116.2°119.6°
C7C8C28H1310.8°0.9°
C7C8C28H14150.8°144.1°
C7C8C27H276.6°144.1°
C7C8C27H28146.7°1.0°
C27C8C7C5118.2°104.3°
C27C8C7H2120.5°16.0°
C27C8C7H33.0°135.6°
C8C27H27H28143.8°145.7°
C7C5C4C6179.3°179.0°
C7C5C4C3179.6°178.4°
C7C5C6C92.1°2.6°
C7C5C6C1179.2°177.9°
C7C5C4H10.4°1.7°
C5C7H2H3116.2°119.7°
C5C4C3H1180.0°180.0°
C4C5C6C9178.6°178.5°
C4C5C6C10.1°1.0°
C5C4C3O2179.8°180.0°
C5C4C3C20.4°0.1°
C4C5C7H258.1°45.3°
C4C5C7H359.5°74.3°
C6C5C4C30.3°0.6°
C5C6C9C1178.7°179.5°
C5C6C9C17107.9°106.2°
C5C6C1C20.4°0.6°
C6C5C4H1179.7°179.4°
C6C5C7H2121.2°135.7°
C6C5C7H3121.2°104.6°
C5C6C1H15179.6°179.3°
C5C6C9H29137.7°134.4°
C4C3O2C2179.8°179.9°
C4C3C2C10.1°0.4°
C4C3C2H21179.9°179.6°
C4C3O2H31180.0°90.1°
C6C9C17H29114.5°119.5°
C9C6C1C2178.4°178.9°
C6C9C17C22133.5°141.8°
C6C9C17C1844.8°38.4°
C9C6C1H151.6°1.2°
C1C6C9C1770.8°73.3°
C6C1C2C30.4°0.0°
C6C1C2H15180.0°179.9°
C6C1C2H21179.6°180.0°
C1C6C9H2943.6°46.1°
C9C17C22C18178.4°179.8°
C9C17C22C21179.4°179.7°
C9C17C18C19178.8°179.7°
C9C17C22H70.7°0.2°
C9C17C18H191.2°0.2°
O2C3C2C1179.9°179.7°
O2C3C4H10.2°0.0°
O2C3C2H210.1°0.3°
C3C2C1H21180.0°180.0°
C2C3C4H1179.6°179.9°
C3C2C1H15179.7°180.0°
C2C3O2H310.2°90.0°
C17C22C21H7180.0°179.9°
C22C17C18C190.5°0.1°
C17C22C21C201.2°0.0°
C17C22C21H6178.8°180.0°
C22C17C18H19179.5°180.0°
C22C17C9H2919.0°98.7°
C18C17C22C211.0°0.1°
C17C18C19H19180.0°179.9°
C17C18C19C200.4°0.0°
C18C17C22H7179.0°180.0°
C17C18C19H20179.6°180.0°
C18C17C9H29159.3°81.1°
C22C21C20H6180.0°180.0°
C22C21C20C191.0°0.1°
C22C21C20O3179.7°180.0°
C18C19C20C210.5°0.0°
C18C19C20H20180.0°179.9°
C18C19C20O3179.2°180.0°
C21C20C19O3178.7°179.9°
C21C20O3C2317.4°180.0°
C20C21C22H7178.8°179.9°
C21C20C19H20179.4°179.9°
C19C20O3C23163.9°0.0°
C19C20C21H6178.9°180.0°
C20C19C18H19179.7°179.9°
C20O3C23C24169.5°180.0°
O3C20C21H60.3°0.1°
O3C20C19H200.7°0.0°
C20O3C23H2270.7°60.0°
C20O3C23H2349.8°60.0°
O3C23C24H22119.8°120.0°
O3C23C24H23119.8°120.0°
O3C23C24N294.3°65.8°
O3C23C24H825.6°174.4°
O3C23C24H9145.8°54.3°
O3C23H22H23120.7°120.0°
C23C24N2H8119.9°119.9°
C23C24N2H9119.9°120.1°
C23C24N2C2574.9°164.1°
C23C24N2C26168.6°71.8°
C23C24H8H9120.3°120.1°
C24C23H22H23120.7°120.0°
C24N2C25C26116.4°124.0°
N2C24H8H9120.3°120.0°
C24N2C26H10180.0°60.0°
C24N2C26H1160.0°180.0°
C24N2C26H1260.0°60.0°
N2C24C23H22145.9°174.3°
N2C24C23H2325.4°54.3°
C24N2C25H24180.0°64.5°
C24N2C25H2560.0°175.5°
C24N2C25H2660.0°55.5°
C25N2C24H845.0°75.9°
C25N2C24H9165.2°44.1°
C25N2C26H1065.8°64.0°
C25N2C26H1154.2°56.0°
C25N2C26H12174.2°176.0°
N2C25H24H25120.0°120.0°
N2C25H24H26120.0°120.0°
N2C25H25H26120.0°120.0°
C26N2C24H871.5°48.1°
C26N2C24H948.7°168.1°
N2C26H10H11120.0°120.0°
N2C26H10H12120.0°120.0°
N2C26H11H12120.0°120.0°
C26N2C25H2463.5°171.5°
C26N2C25H25176.4°51.5°
C26N2C25H2656.4°68.5°
H4C13C12H160.2°0.1°
H4C13C14H171.0°0.3°
H5C15C14H170.1°0.2°
H5C15C16H181.7°0.0°
H6C21C22H71.2°0.0°
H8C24C23H2294.2°54.4°
H8C24C23H23145.3°65.6°
H9C24C23H2226.0°65.7°
H9C24C23H2394.5°174.3°
H10C26H11H12120.0°120.0°
H13C28C27H270.1°145.1°
H13C28C27H28140.1°0.0°
H14C28C27H27140.1°0.0°
H14C28C27H280.1°145.1°
H15C1C2H210.3°0.1°
H19C18C19H200.4°0.2°
H24C25H25H26120.0°120.0°

227344

PDB entries from 2024-11-13

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