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OOF

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C2sing1.37Å1.43ÅAromatic
N1C4sing1.38Å1.39ÅAromatic
N1C7sing1.47Å1.44Å
C2N3doub1.31Å1.32ÅAromatic
C2C12sing1.48Å1.46ÅAromatic
N3C5sing1.36Å1.42ÅAromatic
C4C5doub1.41Å1.44ÅAromatic
C4C8sing1.39Å1.39ÅAromatic
C5C9sing1.40Å1.41ÅAromatic
C6C7sing1.51Å1.57Å
C6N10sing1.35Å1.39Å
C6O15doub1.21Å1.24Å
C7C18sing1.53Å1.56Å
C8C11doub1.38Å1.40ÅAromatic
C9C13doub1.38Å1.39ÅAromatic
N10C21sing1.39Å1.41Å
C11C13sing1.39Å1.42ÅAromatic
C11F24sing1.35Å1.36Å
C12C19doub1.40Å1.41ÅAromatic
C12C20sing1.40Å1.39ÅAromatic
C13F25sing1.35Å1.34Å
C14C16sing1.47Å1.47Å
C14O17doub1.21Å1.23Å
C14O26sing1.35Å1.36Å
C16C22doub1.40Å1.40ÅAromatic
C16C23sing1.40Å1.40ÅAromatic
C18C33sing1.53Å1.53Å
C18C34sing1.53Å1.54Å
C19C30sing1.38Å1.40ÅAromatic
C20C31doub1.38Å1.39ÅAromatic
C21C28doub1.39Å1.41ÅAromatic
C21C29sing1.39Å1.42ÅAromatic
C22C28sing1.38Å1.39ÅAromatic
C23C29doub1.38Å1.38ÅAromatic
C27C30doub1.39Å1.40ÅAromatic
C27C31sing1.38Å1.40ÅAromatic
C27CL32sing1.74Å1.69Å
C33C36sing1.53Å1.52Å
C34C35sing1.53Å1.52Å
C35C37sing1.53Å1.52Å
C36C37sing1.53Å1.52Å
C7H7sing1.09Å1.10Å
C8H8sing1.08Å1.08Å
C9H9sing1.08Å1.08Å
N10HN10sing0.97Å1.00Å
C18H18sing1.09Å1.10Å
C19H19sing1.08Å1.08Å
C20H20sing1.08Å1.08Å
C22H22sing1.08Å1.08Å
C23H23sing1.08Å1.08Å
C28H28sing1.08Å1.08Å
C29H29sing1.08Å1.08Å
C30H30sing1.08Å1.08Å
C31H31sing1.08Å1.08Å
C33H33sing1.09Å1.10Å
C33H33Asing1.09Å1.10Å
C34H34sing1.09Å1.10Å
C34H34Asing1.09Å1.10Å
C35H35sing1.09Å1.10Å
C35H35Asing1.09Å1.10Å
C36H36sing1.09Å1.10Å
C36H36Asing1.09Å1.10Å
C37H37sing1.09Å1.10Å
C37H37Asing1.09Å1.10Å
O26H26sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1C4106.9°107.2°
C2N1C7127.5°126.4°
N1C2N3112.5°109.8°
N1C2C12121.9°125.1°
C4N1C7125.4°126.4°
N1C4C5105.1°106.2°
N1C4C8132.1°133.8°
N1C7C6109.6°109.4°
N1C7C18112.8°109.5°
N1C7H7107.3°109.5°
N3C2C12125.4°125.1°
C2N3C5105.3°109.7°
C2C12C19120.0°120.1°
C2C12C20120.0°120.1°
N3C5C4110.0°107.2°
N3C5C9130.4°133.3°
C5C4C8122.7°120.0°
C4C5C9119.6°119.5°
C4C8C11116.8°119.9°
C4C8H8121.6°120.1°
C5C9C13117.3°119.8°
C5C9H9121.4°120.1°
C7C6N10115.7°120.0°
C7C6O15120.9°120.0°
C6C7C18109.9°109.4°
C6C7H7110.3°109.5°
N10C6O15123.3°120.1°
C6N10C21128.4°120.0°
C6N10HN10115.8°120.0°
C7C18C33110.0°109.5°
C7C18C34113.0°109.4°
C18C7H7106.9°109.5°
C7C18H18107.0°109.5°
C8C11C13120.9°120.4°
C8C11F24121.9°119.8°
C11C8H8121.6°120.0°
C9C13C11122.6°120.5°
C9C13F25121.3°119.7°
C13C9H9121.4°120.2°
N10C21C28123.4°119.9°
N10C21C29118.7°119.9°
C21N10HN10115.8°120.0°
C13C11F24117.2°119.8°
C11C13F25115.8°119.8°
C19C12C20120.0°119.7°
C12C19C30119.4°119.9°
C12C19H19120.3°120.1°
C12C20C31121.2°119.9°
C12C20H20119.4°120.1°
C16C14O17128.4°120.0°
C16C14O26117.2°120.0°
C14C16C22123.6°120.1°
C14C16C23117.1°120.1°
O17C14O26114.3°120.0°
C14O26H26109.5°117.0°
C22C16C23119.3°119.8°
C16C22C28120.1°119.9°
C16C22H22120.0°120.1°
C16C23C29121.0°119.9°
C16C23H23119.5°120.0°
C33C18C34110.6°109.5°
C18C33C36110.6°109.5°
C33C18H18109.7°109.5°
C18C33H33109.1°109.5°
C18C33H33A109.1°109.4°
C18C34C35112.3°109.5°
C34C18H18106.4°109.5°
C18C34H34108.5°109.5°
C18C34H34A108.5°109.5°
C19C30C27119.4°120.1°
C30C19H19120.3°120.1°
C19C30H30120.3°120.0°
C20C31C27118.8°120.1°
C31C20H20119.4°120.1°
C20C31H31120.6°119.9°
C28C21C29117.8°120.2°
C21C28C22121.1°120.1°
C21C28H28119.5°120.0°
C21C29C23120.7°120.1°
C21C29H29119.7°120.0°
C28C22H22119.9°120.0°
C22C28H28119.4°119.9°
C29C23H23119.5°120.1°
C23C29H29119.6°119.9°
C30C27C31121.1°120.2°
C30C27CL32120.3°119.9°
C27C30H30120.3°119.9°
C31C27CL32118.6°119.9°
C27C31H31120.6°120.0°
C33C36C37111.6°109.5°
C36C33H33109.1°109.5°
C36C33H33A109.1°109.5°
C33C36H36108.8°109.5°
C33C36H36A108.8°109.5°
C34C35C37110.7°109.5°
C35C34H34108.5°109.5°
C35C34H34A108.5°109.5°
C34C35H35109.1°109.5°
C34C35H35A109.1°109.5°
C35C37C36110.8°109.5°
C37C35H35109.1°109.5°
C37C35H35A109.1°109.4°
C35C37H37109.0°109.5°
C35C37H37A109.0°109.5°
C37C36H36108.8°109.5°
C37C36H36A108.8°109.4°
C36C37H37109.0°109.5°
C36C37H37A109.1°109.5°
H33C33H33A109.8°109.5°
H34C34H34A110.4°109.5°
H35C35H35A109.9°109.4°
H36C36H36A110.2°109.5°
H37C37H37A109.9°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2N1C4C7176.1°179.8°
N1C2N3C12175.0°179.9°
N1C2N3C54.4°0.0°
C2N1C4C51.0°0.0°
C2N1C4C8179.5°180.0°
C2N1C7C6128.5°62.8°
C2N1C7C18108.7°177.2°
N1C2C12C19116.5°146.3°
N1C2C12C2063.0°34.1°
C2N1C7H78.8°57.2°
C4N1C2N33.5°0.0°
C4N1C2C12178.7°179.9°
N1C4C5N31.6°0.0°
N1C4C5C8179.6°180.0°
N1C4C5C9177.3°179.9°
C4N1C7C656.2°116.9°
C4N1C7C1866.6°3.0°
N1C4C8C11179.7°180.0°
C4N1C7H7176.0°123.1°
N1C4C8H80.2°0.0°
C7N1C2N3172.4°179.8°
C7N1C2C122.8°0.2°
C7N1C4C5175.0°179.8°
C7N1C4C84.5°0.2°
N1C7C6C18124.5°120.0°
N1C7C6H7117.9°120.0°
N1C7C6N1045.3°150.6°
N1C7C6O15133.5°29.3°
N1C7C18H7117.7°120.0°
N1C7C18C33161.6°171.1°
N1C7C18C3437.5°68.9°
N1C7C18H1879.3°51.1°
C2N3C5C43.7°0.0°
C2N3C5C9175.1°179.9°
N3C2C12C1958.1°33.7°
N3C2C12C20122.5°146.0°
C12C2N3C5179.4°179.9°
C2C12C19C20179.4°179.6°
C2C12C19C30178.1°179.9°
C2C12C20C31176.8°180.0°
C2C12C19H191.9°0.1°
C2C12C20H203.2°0.1°
N3C5C4C9178.9°179.9°
N3C5C4C8178.0°180.0°
N3C5C9C13179.4°179.9°
N3C5C9H90.6°0.1°
C5C4C8C110.3°0.0°
C4C5C9C132.0°0.0°
C5C4C8H8179.7°180.0°
C4C5C9H9178.0°180.0°
C8C4C5C93.1°0.1°
C4C8C11H8180.0°179.9°
C4C8C11C133.5°0.1°
C4C8C11F24179.9°180.0°
C5C9C13H9180.0°180.0°
C5C9C13C111.8°0.1°
C5C9C13F25174.8°180.0°
C7C6N10O15178.8°179.9°
C6C7C18H7119.7°120.0°
C7C6N10C21177.9°177.8°
C6C7C18C3375.8°51.1°
C6C7C18C34160.1°171.1°
C7C6N10HN102.1°2.2°
C6C7C18H1843.3°68.9°
N10C6C7C18169.8°89.4°
C6N10C21HN10180.0°179.9°
C6N10C21C28168.8°141.8°
C6N10C21C2910.9°38.5°
N10C6C7H772.6°30.6°
O15C6C7C189.0°90.7°
O15C6N10C213.3°2.3°
O15C6C7H7108.6°149.3°
O15C6N10HN10176.6°177.8°
C7C18C33C34125.5°120.0°
C7C18C33H18117.5°120.0°
C7C18C34H18117.2°120.0°
C7C18C33C36179.7°180.0°
C7C18C34C35178.3°180.0°
C7C18C33H3359.7°60.0°
C7C18C33H33A60.3°60.0°
C7C18C34H3458.2°60.0°
C7C18C34H34A61.8°60.0°
C8C11C13C94.8°0.2°
C8C11C13F24176.5°179.9°
C8C11C13F25178.1°179.9°
C9C13C11F25173.4°179.9°
C9C13C11F24178.7°179.9°
N10C21C28C29179.8°179.7°
N10C21C28C22179.0°179.9°
N10C21C29C23178.8°180.0°
N10C21C28H281.0°0.2°
N10C21C29H291.2°0.3°
C13C11C8H8176.5°179.9°
C11C13C9H9178.2°179.9°
F24C11C13F255.4°0.0°
F24C11C8H80.2°0.0°
C12C19C30H19180.0°180.0°
C19C12C20C312.6°0.3°
C12C19C30C270.8°0.0°
C19C12C20H20177.4°179.7°
C12C19C30H30179.2°180.0°
C20C12C19C301.3°0.3°
C12C20C31H20180.0°179.9°
C12C20C31C271.8°0.0°
C20C12C19H19178.7°179.7°
C12C20C31H31178.2°180.0°
F25C13C9H95.2°0.0°
C16C14O17O26177.0°179.9°
C14C16C22C23179.8°179.7°
C14C16C22C28178.4°180.0°
C14C16C23C29178.1°180.0°
C14C16C22H221.6°0.1°
C14C16C23H231.9°0.0°
C16C14O26H26177.4°180.0°
O17C14C16C22143.4°0.0°
O17C14C16C2336.7°179.7°
O17C14O26H260.0°0.1°
O26C14C16C2239.6°179.9°
O26C14C16C23140.2°0.3°
C16C22C28C211.0°0.1°
C16C22C28H22180.0°179.9°
C22C16C23C291.8°0.3°
C22C16C23H23178.2°179.7°
C16C22C28H28179.0°179.7°
C16C23C29C211.5°0.0°
C23C16C22C281.5°0.4°
C16C23C29H23180.0°180.0°
C23C16C22H22178.5°179.7°
C16C23C29H29178.5°179.7°
C33C18C34H18119.0°120.0°
C18C33C36H33120.0°120.0°
C18C33C36H33A120.0°120.0°
C33C18C34C3554.5°60.0°
C18C33C36C3757.2°60.0°
C33C18C7H743.9°68.9°
C18C33H33H33A119.5°119.9°
C33C18C34H3465.5°60.0°
C33C18C34H34A174.5°180.0°
C18C33C36H3662.8°60.0°
C18C33C36H36A177.2°180.0°
C34C18C33C3654.8°60.0°
C18C34C35H34120.0°120.0°
C18C34C35H34A120.0°120.0°
C18C34C35C3754.8°60.0°
C34C18C7H780.2°51.1°
C34C18C33H33174.8°180.0°
C34C18C33H33A65.2°60.0°
C18C34H34H34A118.8°120.0°
C18C34C35H35174.8°180.0°
C18C34C35H35A65.2°60.0°
C19C30C27H30180.0°179.9°
C19C30C27C311.7°0.4°
C19C30C27CL32177.6°180.0°
C20C31C27C300.4°0.3°
C20C31C27H31180.0°180.0°
C20C31C27CL32178.9°180.0°
C21C28C22H28180.0°179.8°
C28C21C29C231.0°0.3°
C28C21N10HN1011.2°38.1°
C21C28C22H22179.0°180.0°
C28C21C29H29179.0°180.0°
C29C21C28C220.8°0.3°
C21C29C23H29180.0°179.7°
C29C21N10HN10169.0°141.6°
C21C29C23H23178.4°180.0°
C29C21C28H28179.2°179.9°
C30C27C31CL32179.3°179.7°
C27C30C19H19179.2°179.9°
C30C27C31H31179.6°179.7°
C27C31C20H20178.2°180.0°
C31C27C30H30178.4°179.7°
CL32C27C30H302.4°0.1°
CL32C27C31H311.1°0.0°
C33C36C37C3557.6°60.0°
C33C36C37H36120.0°120.0°
C33C36C37H36A120.0°120.0°
C36C33C18H1862.2°60.0°
C36C33H33H33A119.6°120.0°
C33C36H36H36A119.1°120.0°
C33C36C37H3762.3°60.0°
C33C36C37H37A177.7°180.0°
C34C35C37H35120.0°120.0°
C34C35C37H35A120.0°120.0°
C34C35C37C3655.8°60.0°
C35C34C18H1864.5°60.0°
C35C34H34H34A118.8°120.0°
C34C35H35H35A119.5°120.1°
C34C35C37H3764.2°60.0°
C34C35C37H37A175.8°180.0°
C35C37C36H37120.0°120.0°
C35C37C36H37A120.0°120.0°
C37C35C34H3465.2°60.0°
C37C35C34H34A174.8°180.0°
C37C35H35H35A119.5°119.9°
C35C37C36H3662.4°60.0°
C35C37C36H36A177.6°180.0°
C35C37H37H37A119.5°120.0°
C37C36C33H33177.2°180.0°
C37C36C33H33A62.8°60.0°
C36C37C35H35175.8°180.0°
C36C37C35H35A64.2°60.0°
C37C36H36H36A119.1°120.0°
C36C37H37H37A119.5°120.0°
H7C7C18H18163.0°171.1°
H18C18C33H3357.8°60.0°
H18C18C33H33A177.7°180.0°
H18C18C34H34175.4°180.0°
H18C18C34H34A55.4°60.0°
H19C19C30H300.8°0.0°
H20C20C31H311.8°0.0°
H22C22C28H281.0°0.1°
H23C23C29H291.6°0.3°
H33C33C36H3657.2°60.0°
H33C33C36H36A62.8°60.0°
H33AC33C36H36177.2°180.0°
H33AC33C36H36A57.2°60.0°
H34C34C35H3554.8°60.0°
H34C34C35H35A174.8°180.0°
H34AC34C35H3565.2°60.0°
H34AC34C35H35A54.8°60.1°
H35C35C37H3755.8°60.0°
H35C35C37H37A64.2°60.0°
H35AC35C37H37175.8°180.0°
H35AC35C37H37A55.8°60.0°
H36C36C37H37177.6°180.0°
H36C36C37H37A57.7°60.0°
H36AC36C37H3757.7°60.0°
H36AC36C37H37A62.3°60.0°

222415

PDB entries from 2024-07-10

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