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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C3sing1.38Å1.38ÅAromatic
C1C4doub1.38Å1.38ÅAromatic
C2C5sing1.38Å1.38ÅAromatic
C2C6doub1.38Å1.38ÅAromatic
C3C7doub1.38Å1.38ÅAromatic
C4C8sing1.38Å1.38ÅAromatic
C5C9doub1.38Å1.38ÅAromatic
C6C10sing1.38Å1.37ÅAromatic
C7C14sing1.38Å1.38ÅAromatic
C8C14doub1.38Å1.38ÅAromatic
C9C15sing1.38Å1.38ÅAromatic
C10C15doub1.38Å1.37ÅAromatic
C11C12sing1.39Å1.38ÅAromatic
C11C16doub1.38Å1.39ÅAromatic
C12C17doub1.38Å1.37ÅAromatic
C13C16sing1.40Å1.39ÅAromatic
C13C18doub1.40Å1.38ÅAromatic
C13C19sing1.47Å1.49Å
C14C24sing1.51Å1.49Å
C15C26sing1.51Å1.49Å
C16C25sing1.51Å1.50Å
C17C18sing1.39Å1.37ÅAromatic
C17O34sing1.37Å1.37Å
C18O35sing1.36Å1.39Å
C19O30doub1.22Å1.26Å
C19O31sing1.35Å1.26Å
C20C26sing1.51Å1.50Å
C20N27sing1.35Å1.38Å
C20O32doub1.21Å1.22Å
C21N28sing1.35Å1.38Å
C21N29sing1.35Å1.39Å
C21O33doub1.22Å1.23Å
C22O34sing1.44Å1.44Å
C22O35sing1.44Å1.44Å
C23N29sing1.47Å1.44Å
C24N27sing1.46Å1.44Å
C25N29sing1.46Å1.44Å
C26N28sing1.47Å1.45Å
C1H1sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
C4H4sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
C5H5sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C7H7sing1.08Å1.08Å
C8H8sing1.08Å1.08Å
C9H9sing1.08Å1.08Å
C10H10sing1.08Å1.08Å
C11H11sing1.08Å1.08Å
C12H12sing1.08Å1.08Å
C24H241sing1.09Å1.10Å
C24H242sing1.09Å1.10Å
C26H26sing1.09Å1.10Å
C25H251sing1.09Å1.10Å
C25H252sing1.09Å1.10Å
O31H31sing0.97Å0.95Å
N27H27sing0.97Å1.00Å
N28H28sing0.97Å1.00Å
C22H221sing1.09Å1.10Å
C22H222sing1.09Å1.10Å
C23H231sing1.09Å1.10Å
C23H232sing1.09Å1.10Å
C23H233sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C3C1C4119.8°120.0°
C1C3C7120.1°120.0°
C3C1H1120.1°120.0°
C1C3H3120.0°120.0°
C1C4C8119.7°120.0°
C4C1H1120.1°120.0°
C1C4H4120.2°120.0°
C5C2C6119.3°120.0°
C2C5C9120.5°120.0°
C5C2H2120.4°120.0°
C2C5H5119.7°120.0°
C2C6C10120.2°120.0°
C6C2H2120.3°120.0°
C2C6H6119.9°120.0°
C3C7C14120.5°120.0°
C7C3H3120.0°120.0°
C3C7H7119.7°120.0°
C4C8C14121.0°120.0°
C8C4H4120.1°120.0°
C4C8H8119.5°120.0°
C5C9C15120.0°120.0°
C9C5H5119.7°120.0°
C5C9H9120.0°120.0°
C6C10C15120.6°120.0°
C10C6H6119.9°120.0°
C6C10H10119.7°120.0°
C7C14C8118.8°120.0°
C7C14C24121.2°120.0°
C14C7H7119.7°120.0°
C8C14C24120.0°120.0°
C14C8H8119.5°120.0°
C9C15C10119.5°120.0°
C9C15C26121.7°120.0°
C15C9H9120.0°120.0°
C10C15C26118.8°120.0°
C15C10H10119.7°120.0°
C12C11C16122.4°120.3°
C11C12C17116.5°120.4°
C12C11H11118.8°119.8°
C11C12H12121.8°119.8°
C11C16C13120.4°120.0°
C11C16C25118.4°120.0°
C16C11H11118.8°119.8°
C12C17C18122.2°120.0°
C12C17O34124.7°131.5°
C17C12H12121.8°119.9°
C16C13C18116.8°119.7°
C16C13C19121.7°120.2°
C13C16C25121.2°120.0°
C18C13C19121.5°120.2°
C13C18C17121.8°119.6°
C13C18O35126.9°131.6°
C13C19O30116.8°120.0°
C13C19O31117.5°120.0°
C14C24N27111.7°109.5°
C14C24H241108.9°109.4°
C14C24H242108.9°109.5°
C15C26C20113.4°109.5°
C15C26N28114.2°109.4°
C15C26H26105.8°109.5°
C16C25N29111.9°109.5°
C16C25H251108.8°109.4°
C16C25H252108.9°109.5°
C18C17O34113.1°108.6°
C17C18O35111.4°108.7°
C17O34C2299.1°105.4°
C18O35C2299.3°105.5°
O30C19O31125.7°120.1°
C19O31H31109.5°116.9°
C26C20N27115.6°120.0°
C26C20O32119.3°120.1°
C20C26N28110.7°109.5°
C20C26H26105.7°109.5°
N27C20O32125.0°120.0°
C20N27C24120.6°120.0°
C20N27H27119.7°120.0°
N28C21N29115.1°120.1°
N28C21O33120.9°120.0°
C21N28C26117.5°120.0°
C21N28H28121.3°120.0°
N29C21O33124.0°120.0°
C21N29C23121.7°120.0°
C21N29C25122.0°120.1°
O34C22O35113.2°103.7°
O34C22H221108.5°110.6°
O34C22H222108.5°110.6°
O35C22H221108.5°110.6°
O35C22H222108.6°110.6°
C23N29C25116.3°120.0°
N29C23H231109.5°109.5°
N29C23H232109.5°109.5°
N29C23H233109.5°109.5°
N27C24H241108.9°109.4°
N27C24H242108.9°109.5°
C24N27H27119.7°120.0°
N29C25H251108.9°109.4°
N29C25H252108.9°109.5°
N28C26H26106.3°109.5°
C26N28H28121.2°120.0°
H241C24H242109.4°109.5°
H251C25H252109.5°109.5°
H221C22H222109.5°110.6°
H231C23H232109.5°109.4°
H231C23H233109.4°109.5°
H232C23H233109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C3C1C4H1180.0°179.7°
C1C3C7H3180.0°180.0°
C3C1C4C80.1°0.0°
C1C3C7C140.1°0.0°
C3C1C4H4179.9°180.0°
C1C3C7H7179.9°179.9°
C4C1C3C70.0°0.0°
C1C4C8H4180.0°180.0°
C1C4C8C140.2°0.0°
C4C1C3H3180.0°180.0°
C1C4C8H8179.8°180.0°
C5C2C6H2180.0°179.7°
C2C5C9H5180.0°179.9°
C5C2C6C100.2°0.1°
C2C5C9C150.4°0.0°
C5C2C6H6179.8°180.0°
C2C5C9H9179.7°180.0°
C6C2C5C90.1°0.1°
C2C6C10H6180.0°179.9°
C2C6C10C150.2°0.0°
C6C2C5H5179.9°180.0°
C2C6C10H10179.8°179.9°
C3C7C14H7180.0°179.9°
C3C7C14C80.2°0.0°
C3C7C14C24180.0°180.0°
C7C3C1H1180.0°179.7°
C4C8C14C70.3°0.0°
C4C8C14H8180.0°179.9°
C4C8C14C24180.0°180.0°
C8C4C1H1179.9°179.7°
C5C9C15H9180.0°179.9°
C5C9C15C100.3°0.0°
C5C9C15C26179.8°180.0°
C9C5C2H2179.9°179.7°
C6C10C15C90.0°0.0°
C6C10C15H10180.0°179.9°
C6C10C15C26180.0°180.0°
C10C6C2H2179.8°179.7°
C7C14C8C24179.7°180.0°
C7C14C24N2769.8°90.0°
C14C7C3H3179.9°180.0°
C7C14C8H8179.7°180.0°
C7C14C24H24150.6°150.0°
C7C14C24H242169.9°30.1°
C8C14C24N27110.5°90.0°
C14C8C4H4179.8°180.0°
C8C14C7H7179.8°179.9°
C8C14C24H241129.2°29.9°
C8C14C24H2429.8°149.9°
C9C15C10C26179.9°180.0°
C9C15C26C2040.2°100.0°
C9C15C26N2887.9°140.0°
C15C9C5H5179.6°179.9°
C9C15C10H10179.9°180.0°
C9C15C26H26155.6°20.0°
C10C15C26C20139.7°79.9°
C10C15C26N2892.2°40.0°
C15C10C6H6179.8°179.9°
C10C15C9H9179.7°179.9°
C10C15C26H2624.3°160.0°
C12C11C16H11180.0°179.7°
C11C12C17H12180.0°180.0°
C12C11C16C130.4°0.0°
C12C11C16C25180.0°180.0°
C11C12C17C180.1°0.0°
C11C12C17O34179.7°180.0°
C16C11C12C170.0°0.0°
C11C16C13C25179.6°180.0°
C11C16C13C180.6°0.0°
C11C16C13C19179.8°180.0°
C11C16C25N2946.5°7.6°
C16C11C12H12180.0°180.0°
C11C16C25H251166.9°127.5°
C11C16C25H25273.9°112.5°
C12C17C18C130.1°0.0°
C12C17C18O34179.8°180.0°
C12C17C18O35179.7°179.9°
C12C17O34C22168.2°162.7°
C17C12C11H11180.0°179.7°
C16C13C18C19179.2°179.9°
C16C13C18C170.4°0.0°
C16C13C18O35179.4°179.9°
C16C13C19O30140.2°85.9°
C16C13C19O3138.5°94.1°
C13C16C25N29133.1°172.5°
C13C16C11H11179.7°179.7°
C13C16C25H25112.8°52.5°
C13C16C25H252106.5°67.5°
C18C13C16C25179.8°179.9°
C13C18C17O35179.8°179.9°
C13C18C17O34179.9°180.0°
C18C13C19O3039.0°94.2°
C18C13C19O31142.3°85.9°
C13C18O35C22168.3°162.7°
C19C13C16C250.6°0.0°
C19C13C18C17179.7°180.0°
C19C13C18O350.1°0.1°
C13C19O30O31178.6°180.0°
C13C19O31H31178.6°180.0°
C14C24N27C2087.3°180.0°
C14C24N27H241120.4°120.0°
C14C24N27H242120.4°120.0°
C24C14C7H70.1°0.1°
C24C14C8H80.0°0.1°
C14C24H241H242119.0°120.0°
C14C24N27H2792.7°0.0°
C15C26C20N28129.9°119.9°
C15C26C20H26115.5°120.0°
C15C26C20N27121.4°60.1°
C15C26C20O3258.7°120.0°
C15C26N28C2196.9°85.0°
C15C26N28H26116.2°120.0°
C26C15C9H90.2°0.1°
C26C15C10H100.0°0.1°
C15C26N28H2883.1°95.0°
C16C25N29C2178.4°87.6°
C16C25N29C23101.0°92.4°
C16C25N29H251120.3°119.9°
C16C25N29H252120.4°120.1°
C25C16C11H110.0°0.2°
C16C25H251H252118.9°120.0°
C18C17O34C2211.6°17.3°
C17C18O35C2211.5°17.4°
C18C17C12H12179.9°180.0°
O34C17C18O350.1°0.0°
C17O34C22O3519.7°27.2°
O34C17C12H120.3°0.0°
C17O34C22H221140.3°145.7°
C17O34C22H222100.8°91.5°
C18O35C22O3419.7°27.2°
C18O35C22H221140.2°145.7°
C18O35C22H222100.8°91.4°
O30C19O31H310.0°0.0°
C26C20N27O32180.0°179.9°
C20C26N28C21133.6°155.0°
C26C20N27C24177.6°180.0°
C20C26N28H26114.3°120.1°
C26C20N27H272.4°0.1°
C20C26N28H2846.4°24.9°
C20N27C24H27180.0°179.9°
N27C20C26N288.5°180.0°
C20N27C24H24133.0°60.0°
C20N27C24H242152.3°60.0°
N27C20C26H26123.1°60.0°
O32C20N27C242.3°0.1°
O32C20C26N28171.5°0.1°
O32C20C26H2656.8°120.0°
O32C20N27H27177.7°180.0°
N28C21N29O33179.8°180.0°
N28C21N29C23158.8°0.0°
N28C21N29C2521.9°180.0°
C21N28C26H28180.0°180.0°
C21N28C26H2619.3°35.0°
C21N29C23C25179.3°180.0°
N29C21N28C26156.2°180.0°
C21N29C25H25142.0°32.4°
C21N29C25H252161.3°152.4°
N29C21N28H2823.9°0.0°
C21N29C23H231180.0°84.7°
C21N29C23H23260.0°155.3°
C21N29C23H23360.0°35.4°
O33C21N29C2321.4°180.0°
O33C21N29C25157.9°0.0°
O33C21N28C2623.7°0.1°
O33C21N28H28156.3°180.0°
O34C22O35H221120.5°118.5°
O34C22O35H222120.6°118.6°
O34C22H221H222118.3°122.8°
O35C22H221H222118.3°122.9°
C23N29C25H251138.7°147.7°
C23N29C25H25219.4°27.6°
N29C23H231H232120.0°120.0°
N29C23H231H233120.0°120.0°
N29C23H232H233120.0°120.0°
N27C24H241H242118.9°120.0°
N29C25H251H252118.9°120.0°
C25N29C23H2310.7°95.3°
C25N29C23H232119.4°24.7°
C25N29C23H233120.7°144.6°
H1C1C3H30.0°0.3°
H1C1C4H40.1°0.3°
H3C3C7H70.0°0.1°
H4C4C8H80.2°0.1°
H2C2C5H50.1°0.3°
H2C2C6H60.2°0.4°
H5C5C9H90.4°0.1°
H6C6C10H100.2°0.0°
H11C11C12H120.0°0.3°
H241C24N27H27147.0°120.0°
H242C24N27H2727.7°120.0°
H26C26N28H28160.7°145.0°
H231C23H232H233120.0°120.0°

246704

PDB entries from 2025-12-24

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