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T4B

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C5sing1.39Å1.40ÅAromatic
C1H1sing1.09Å1.08Å
C1Cdoub1.39Å1.39ÅAromatic
C2C3sing1.39Å1.46ÅAromatic
C2C14doub1.39Å1.42ÅAromatic
C2C6sing1.45Å1.52ÅAromatic
C3C11doub1.40Å1.45ÅAromatic
C3H3sing1.09Å1.08Å
C7C8doub1.40Å1.38ÅAromatic
C7C6sing1.39Å1.39ÅAromatic
C7H7sing1.09Å1.08Å
C8Csing1.39Å1.39ÅAromatic
C8H8sing1.09Å1.08Å
C9C10sing1.50Å1.52Å
C9H91sing1.09Å1.10Å
C9H92sing1.09Å1.10Å
C9O2sing1.43Å1.41Å
C10Osing1.36Å1.25Å
C10O1doub1.22Å1.32Å
C11O2sing1.36Å1.40Å
C11C12sing1.40Å1.43ÅAromatic
C12C13doub1.40Å1.41ÅAromatic
C12H12sing1.09Å1.08Å
C13C14sing1.39Å1.42ÅAromatic
C13H13sing1.09Å1.08Å
C14H14sing1.09Å1.08Å
C15C21sing1.53Å1.52Å
C15H151sing1.10Å1.10Å
C15H152sing1.09Å1.10Å
C15H153sing1.10Å1.10Å
C16C19sing1.44Å1.48ÅAromatic
C16C17doub1.39Å1.40ÅAromatic
C16C30sing1.39Å1.41ÅAromatic
C19C18sing1.41Å1.48ÅAromatic
C19C20doub1.37Å1.35ÅAromatic
C20Nsing1.36Å1.36ÅAromatic
C20C21sing1.48Å1.52Å
C21H211sing1.11Å1.10Å
C21H212sing1.11Å1.10Å
C22C17sing1.39Å1.40ÅAromatic
C22H22sing1.09Å1.08Å
C22C28doub1.39Å1.36ÅAromatic
C24C25sing1.39Å1.38ÅAromatic
C24H24sing1.09Å1.08Å
C24C23doub1.39Å1.40ÅAromatic
C27C18sing1.44Å1.51ÅAromatic
C27C4doub1.39Å1.39ÅAromatic
C27C23sing1.39Å1.45ÅAromatic
C30C29doub1.39Å1.40ÅAromatic
C30H30sing1.09Å1.08Å
CHsing1.09Å1.08Å
C4H4sing1.09Å1.08Å
C4C26sing1.39Å1.40ÅAromatic
C5C6doub1.39Å1.42ÅAromatic
C5Nsing1.39Å1.39ÅAromatic
OHOsing0.98Å0.95Å
C17H17sing1.09Å1.08Å
NN1sing1.34Å1.39ÅAromatic
N1C18doub1.34Å1.30ÅAromatic
C23H23sing1.09Å1.08Å
C25C26doub1.40Å1.39ÅAromatic
C25H25sing1.09Å1.08Å
C26H26sing1.09Å1.08Å
C28H28sing1.09Å1.08Å
C28C29sing1.40Å1.37ÅAromatic
C29H29sing1.09Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C5C1H1120.4°121.1°
C5C1C119.2°119.7°
C1C5C6121.3°120.6°
C1C5N119.4°118.2°
H1C1C120.4°119.2°
C1CC8118.7°120.1°
C1CH120.6°120.0°
C3C2C14119.3°120.4°
C3C2C6121.0°119.9°
C2C3C11118.4°119.8°
C2C3H3120.8°120.7°
C14C2C6119.6°119.8°
C2C14C13121.7°119.8°
C2C14H14119.2°121.0°
C2C6C7119.2°118.5°
C2C6C5122.3°121.8°
C11C3H3120.8°119.4°
C3C11O2121.2°120.1°
C3C11C12120.1°120.0°
C8C7C6119.3°120.0°
C8C7H7120.4°119.0°
C7C8C123.0°119.9°
C7C8H8118.5°120.0°
C6C7H7120.4°121.0°
C7C6C5118.5°119.7°
CC8H8118.5°120.1°
C8CH120.7°120.0°
C10C9H91109.4°109.4°
C10C9H92109.4°110.2°
C10C9O2109.6°109.8°
C9C10O120.3°110.2°
C9C10O1118.0°125.8°
H91C9H92109.6°110.2°
H91C9O2109.4°108.3°
H92C9O2109.4°109.0°
C9O2C11117.8°117.1°
OC10O1121.7°124.0°
C10OHO109.5°111.9°
O2C11C12118.7°119.9°
C11C12C13121.0°120.0°
C11C12H12119.5°120.4°
C13C12H12119.5°119.7°
C12C13C14119.3°120.0°
C12C13H13120.4°120.0°
C14C13H13120.3°120.0°
C13C14H14119.1°119.2°
C21C15H151109.5°110.8°
C21C15H152109.5°111.2°
C21C15H153109.5°110.8°
C15C21C20106.5°112.8°
C15C21H211110.5°108.5°
C15C21H212111.1°108.6°
H151C15H152109.5°108.1°
H151C15H153109.5°107.9°
H152C15H153109.5°108.0°
C19C16C17119.7°120.0°
C19C16C30121.0°120.0°
C16C19C18126.8°131.4°
C16C19C20126.6°123.9°
C17C16C30119.2°120.0°
C16C17C22119.3°120.1°
C16C17H17120.4°120.8°
C16C30C29119.4°120.0°
C16C30H30120.3°120.9°
C18C19C20106.5°104.7°
C19C18C27130.7°127.3°
C19C18N1107.2°112.6°
C19C20N107.9°105.8°
C19C20C21125.7°131.3°
NC20C21126.1°122.9°
C20NC5129.9°126.4°
C20NN1109.5°113.8°
C20C21H211110.5°111.0°
C20C21H212111.1°111.0°
H211C21H212107.2°104.7°
C17C22H22119.5°120.0°
C17C22C28121.1°120.0°
C22C17H17120.4°119.1°
H22C22C28119.5°120.1°
C22C28H28119.6°120.0°
C22C28C29120.8°120.0°
C25C24H24119.9°120.0°
C25C24C23120.2°120.0°
C24C25C26121.3°120.0°
C24C25H25119.4°120.1°
H24C24C23119.9°120.0°
C24C23C27118.6°119.8°
C24C23H23120.7°119.1°
C18C27C4117.7°119.8°
C18C27C23122.3°119.9°
C27C18N1122.0°120.1°
C4C27C23120.0°120.3°
C27C4H4120.0°121.0°
C27C4C26120.1°119.9°
C27C23H23120.7°121.0°
C29C30H30120.3°119.1°
C30C29C28120.3°120.0°
C30C29H29119.9°120.0°
H4C4C26119.9°119.1°
C4C26C25119.8°120.0°
C4C26H26120.1°120.0°
C6C5N119.3°121.2°
C5NN1120.6°119.8°
NN1C18108.9°103.1°
C26C25H25119.3°120.0°
C25C26H26120.1°120.0°
H28C28C29119.6°120.0°
C28C29H29119.8°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C5C1H1C180.0°179.9°
C1C5C6C2178.2°180.0°
C1C5C6C70.5°0.1°
C5C1CC80.1°0.1°
C1C5NC2059.5°90.1°
C5C1CH179.9°180.0°
C1C5C6N178.3°179.9°
C1C5NN1123.5°90.0°
H1C1CC8179.9°180.0°
H1C1CH0.1°0.1°
H1C1C5C6179.5°180.0°
H1C1C5N1.2°0.1°
C1CC8C70.3°0.0°
C1CC8H180.0°180.0°
C1CC8H8179.7°179.9°
CC1C5C60.5°0.1°
CC1C5N178.8°180.0°
C3C2C14C6177.9°179.9°
C2C3C11H3180.0°180.0°
C3C2C6C7129.2°89.9°
C2C3C11O2179.6°179.9°
C2C3C11C120.4°0.0°
C3C2C14C130.5°0.1°
C3C2C14H14179.5°180.0°
C3C2C6C552.0°89.9°
C14C2C3C110.1°0.0°
C14C2C3H3179.9°179.9°
C14C2C6C752.9°90.0°
C2C14C13C120.7°0.0°
C2C14C13H14180.0°180.0°
C2C14C13H13179.3°180.0°
C14C2C6C5125.9°90.1°
C6C2C3C11178.0°180.0°
C6C2C3H32.0°0.0°
C2C6C7C8178.6°179.9°
C2C6C7C5178.8°179.9°
C2C6C7H71.4°0.1°
C6C2C14C13177.5°180.0°
C6C2C14H142.5°0.0°
C2C6C5N0.1°0.1°
C3C11O2C930.5°30.1°
C3C11O2C12180.0°180.0°
C3C11C12C130.2°0.1°
C3C11C12H12179.8°180.0°
H3C3C11O20.4°0.0°
H3C3C11C12179.6°180.0°
C8C7C6H7180.0°180.0°
C7C8CH8180.0°180.0°
C7C8CH179.7°180.0°
C8C7C6C50.2°0.1°
C6C7C8C0.2°0.0°
C6C7C8H8179.8°179.9°
C7C6C5N178.8°180.0°
H7C7C8C179.8°180.0°
H7C7C8H80.2°0.1°
H7C7C6C5179.8°179.9°
H8C8CH0.3°0.0°
C10C9H91H92120.0°121.2°
C10C9H91O2120.1°119.6°
C10C9H92O2120.0°120.5°
C9C10OO1179.2°180.0°
C10C9O2C11103.5°150.7°
C9C10OHO179.2°179.9°
H91C9H92O2120.0°118.7°
H91C9C10O109.4°59.9°
H91C9C10O169.8°120.1°
H91C9O2C1116.5°89.9°
H92C9C10O130.5°61.3°
H92C9C10O150.3°118.6°
H92C9O2C11136.5°29.9°
O2C9C10O10.6°178.6°
O2C9C10O1170.2°1.4°
C9O2C11C12149.5°150.0°
O1C10OHO0.0°0.1°
O2C11C12C13179.8°179.9°
O2C11C12H120.2°0.0°
C11C12C13H12180.0°179.9°
C11C12C13C140.4°0.0°
C11C12C13H13179.6°180.0°
C12C13C14H13180.0°180.0°
C12C13C14H14179.3°180.0°
H12C12C13C14179.6°180.0°
H12C12C13H130.4°0.1°
H13C13C14H140.7°0.0°
C21C15H151H152120.0°122.0°
C21C15H151H153120.0°121.4°
C21C15H152H153120.0°121.8°
C15C21C20C1996.5°90.0°
C15C21C20N75.9°90.0°
C15C21C20H211120.0°122.0°
C15C21C20H212121.2°122.1°
C15C21H211H212121.2°115.7°
H151C15H152H153120.0°116.5°
H151C15C21C20163.2°59.9°
H151C15C21H21143.2°176.8°
H151C15C21H21275.7°63.6°
H152C15C21C2043.2°179.9°
H152C15C21H21176.8°56.6°
H152C15C21H212164.3°56.6°
H153C15C21C2076.8°59.8°
H153C15C21H211163.2°63.6°
H153C15C21H21244.3°176.8°
C19C16C17C30176.8°179.9°
C16C19C18C20178.0°180.0°
C16C19C20N177.0°180.0°
C16C19C20C219.5°0.0°
C19C16C17C22176.6°179.9°
C16C19C18C276.6°0.1°
C19C16C30C29176.6°179.9°
C19C16C30H303.4°0.2°
C19C16C17H173.4°0.1°
C16C19C18N1176.5°180.0°
C17C16C19C1849.1°90.0°
C17C16C19C20133.3°90.0°
C16C17C22H17180.0°179.9°
C16C17C22H22179.8°180.0°
C16C17C22C280.2°0.0°
C17C16C30C290.2°0.0°
C17C16C30H30179.8°180.0°
C30C16C19C18127.6°89.9°
C30C16C19C2049.9°90.1°
C30C16C17C220.2°0.1°
C16C30C29H30180.0°179.9°
C30C16C17H17179.8°180.0°
C16C30C29C280.2°0.0°
C16C30C29H29179.8°180.0°
C18C19C20N1.0°0.0°
C18C19C20C21172.5°180.0°
C19C18C27N1176.5°179.9°
C19C18C27C4141.8°90.1°
C19C18C27C2341.7°89.9°
C19C18N1N1.3°0.1°
C19C20NC21173.5°180.0°
C19C20C21H211143.5°32.0°
C19C20C21H21224.7°148.0°
C20C19C18C27175.5°179.9°
C19C20NC5177.5°180.0°
C19C20NN10.3°0.1°
C20C19C18N11.4°0.0°
NC20C21H21144.1°148.1°
NC20C21H212163.0°32.1°
C20NC5C6122.2°90.0°
C20NC5N1177.0°179.9°
C20NN1C180.7°0.1°
C20C21H211H212121.2°119.8°
C21C20NC54.0°0.1°
C21C20NN1173.2°180.0°
C17C22H22C28180.0°180.0°
C17C22C28H28179.8°180.0°
C17C22C28C290.2°0.0°
H22C22C17H170.2°0.1°
H22C22C28H280.2°0.0°
H22C22C28C29179.8°179.9°
C22C28C29C300.3°0.1°
C28C22C17H17179.8°179.9°
C22C28H28C29180.0°179.9°
C22C28C29H29179.8°180.0°
C25C24H24C23180.0°179.9°
C25C24C23C270.4°0.1°
C24C25C26C40.1°0.1°
C25C24C23H23179.6°180.0°
C24C25C26H25180.0°180.0°
C24C25C26H26179.9°180.0°
H24C24C23C27179.6°179.9°
H24C24C23H230.5°0.1°
H24C24C25C26179.8°179.9°
H24C24C25H250.2°0.0°
C24C23C27C18175.9°179.9°
C24C23C27C40.4°0.1°
C24C23C27H23180.0°180.0°
C23C24C25C260.2°0.1°
C23C24C25H25179.8°179.9°
C18C27C4C23176.5°180.0°
C18C27C4H43.6°0.0°
C18C27C4C26176.4°179.9°
C27C18N1N176.0°180.0°
C18C27C23H234.1°0.0°
C27C4H4C26180.0°179.9°
C4C27C18N134.7°90.0°
C4C27C23H23179.6°180.0°
C27C4C26C250.1°0.1°
C27C4C26H26179.9°180.0°
C23C27C4H4179.8°180.0°
C23C27C4C260.1°0.1°
C23C27C18N1141.8°90.0°
C30C29C28H28179.7°180.0°
C30C29C28H29180.0°180.0°
H30C30C29C28179.8°179.9°
H30C30C29H290.2°0.1°
H4C4C26C25179.9°180.0°
H4C4C26H260.1°0.1°
C4C26C25H26180.0°180.0°
C4C26C25H25179.9°179.9°
C6C5NN154.8°89.9°
C5NN1C18176.9°180.0°
H25C25C26H260.1°0.1°
H28C28C29H290.2°0.0°

247947

PDB entries from 2026-01-21

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