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FJS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C23O22sing1.43Å1.38Å
O20C16sing1.36Å1.37Å
N30C31doub1.32Å1.36ÅAromatic
N30C29sing1.31Å1.35ÅAromatic
C31C21sing1.38Å1.39ÅAromatic
C29C32doub1.40Å1.42ÅAromatic
O22C11sing1.36Å1.38Å
C16C17doub1.38Å1.40ÅAromatic
C16C15sing1.40Å1.39ÅAromatic
C21C15sing1.48Å1.51Å
C21C33doub1.42Å1.44ÅAromatic
C12C11doub1.39Å1.39ÅAromatic
C12C13sing1.38Å1.39ÅAromatic
C32C33sing1.42Å1.38ÅAromatic
C32C37sing1.40Å1.44ÅAromatic
C17C18sing1.39Å1.38ÅAromatic
C15C14doub1.39Å1.38ÅAromatic
C11C10sing1.39Å1.39ÅAromatic
C33C34sing1.40Å1.42ÅAromatic
C37C36doub1.36Å1.39ÅAromatic
C13C07doub1.39Å1.39ÅAromatic
C34C35doub1.36Å1.40ÅAromatic
C36C35sing1.39Å1.40ÅAromatic
C18O19sing1.36Å1.38Å
C18C06doub1.40Å1.38ÅAromatic
C14C06sing1.39Å1.39ÅAromatic
C10C09doub1.38Å1.39ÅAromatic
C06C05sing1.48Å1.47Å
C07C09sing1.39Å1.39ÅAromatic
C07C04sing1.48Å1.50Å
C05C04sing1.47Å1.46ÅAromatic
C05N01doub1.31Å1.33ÅAromatic
C04C03doub1.39Å1.43ÅAromatic
O26C24doub1.21Å1.23Å
N01O02sing1.21Å1.31ÅAromatic
C03O02sing1.34Å1.30ÅAromatic
C03N08sing1.38Å1.42Å
C24N08sing1.35Å1.42Å
C24C25sing1.51Å1.49Å
C28C27sing1.53Å1.49Å
C28C25sing1.53Å1.50Å
C27C25sing1.53Å1.49Å
C10H1sing1.08Å1.08Å
C13H2sing1.08Å1.08Å
C17H3sing1.08Å1.08Å
C28H4sing1.09Å1.10Å
C28H5sing1.09Å1.10Å
N08H6sing0.97Å1.00Å
C09H7sing1.08Å1.08Å
C12H8sing1.08Å1.08Å
C14H9sing1.08Å1.08Å
O19H10sing0.97Å0.95Å
O20H11sing0.97Å0.95Å
C23H12sing1.09Å1.10Å
C23H13sing1.09Å1.10Å
C23H14sing1.09Å1.10Å
C25H15sing1.09Å1.10Å
C27H16sing1.09Å1.10Å
C27H17sing1.09Å1.10Å
C29H18sing1.08Å1.08Å
C31H19sing1.08Å1.08Å
C34H20sing1.08Å1.08Å
C35H21sing1.08Å1.08Å
C36H22sing1.08Å1.08Å
C37H23sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C23O22C11118.7°117.0°
O22C23H12109.5°109.5°
O22C23H13109.4°109.5°
O22C23H14109.5°109.5°
O20C16C17118.3°120.0°
O20C16C15121.6°120.0°
C16O20H11109.5°114.0°
C31N30C29121.1°123.0°
N30C31C21120.2°121.5°
N30C31H19119.9°119.2°
N30C29C32121.5°120.3°
N30C29H18119.2°119.9°
C31C21C15118.6°120.9°
C31C21C33119.2°118.3°
C21C31H19119.9°119.3°
C29C32C33118.6°118.7°
C29C32C37120.6°122.0°
C32C29H18119.3°119.8°
O22C11C12120.1°120.0°
O22C11C10119.5°119.9°
C17C16C15120.0°120.1°
C16C17C18120.5°120.2°
C16C17H3119.7°120.0°
C16C15C21125.6°120.1°
C16C15C14119.0°119.9°
C15C21C33120.6°120.8°
C21C15C14115.4°120.0°
C21C33C32118.8°118.2°
C21C33C34122.0°122.2°
C11C12C13118.8°120.1°
C12C11C10120.5°120.1°
C11C12H8120.6°119.9°
C12C13C07120.7°119.9°
C12C13H2119.7°120.1°
C13C12H8120.6°120.0°
C33C32C37120.8°119.3°
C32C33C34119.1°119.6°
C32C37C36119.7°119.5°
C32C37H23120.2°120.2°
C17C18O19121.5°120.0°
C17C18C06119.0°120.1°
C18C17H3119.7°119.9°
C15C14C06120.8°119.8°
C15C14H9119.6°120.1°
C11C10C09120.4°120.1°
C11C10H1119.8°120.0°
C33C34C35120.0°119.5°
C33C34H20120.0°120.2°
C37C36C35119.6°121.1°
C37C36H22120.2°119.5°
C36C37H23120.1°120.2°
C13C07C09120.1°119.8°
C13C07C04119.5°120.1°
C07C13H2119.7°120.0°
C34C35C36120.8°121.0°
C35C34H20120.0°120.3°
C34C35H21119.6°119.5°
C36C35H21119.6°119.5°
C35C36H22120.2°119.4°
O19C18C06119.5°120.0°
C18O19H10109.5°114.0°
C18C06C14120.7°120.0°
C18C06C05122.3°120.0°
C14C06C05117.1°120.0°
C06C14H9119.6°120.1°
C10C09C07119.6°119.9°
C09C10H1119.8°120.0°
C10C09H7120.2°120.1°
C06C05C04123.1°127.3°
C06C05N01129.5°127.3°
C09C07C04120.3°120.1°
C07C09H7120.2°120.0°
C07C04C05125.8°128.6°
C07C04C03131.5°128.6°
C04C05N01107.3°105.4°
C05C04C03102.7°102.8°
C05N01O02109.2°112.4°
C04C03O02107.3°106.3°
C04C03N08127.7°126.8°
O26C24N08120.0°120.0°
O26C24C25122.7°120.0°
N01O02C03113.4°113.2°
O02C03N08124.7°126.9°
C03N08C24124.6°120.0°
C03N08H6117.7°120.0°
N08C24C25116.2°120.0°
C24N08H6117.7°120.0°
C24C25C28109.9°117.5°
C24C25C27111.8°117.5°
C24C25H15120.3°115.6°
C27C28C2559.9°60.0°
C28C27C2560.4°60.0°
C27C28H4120.0°117.4°
C27C28H5120.0°117.5°
C28C27H16119.9°117.5°
C28C27H17119.9°117.5°
C28C25C2759.7°60.0°
C25C28H4120.0°117.5°
C25C28H5120.0°117.6°
C28C25H15120.1°117.5°
C27C25H15120.3°117.5°
C25C27H16119.9°117.5°
C25C27H17119.9°117.5°
H4C28H5109.5°115.6°
H12C23H13109.5°109.5°
H12C23H14109.5°109.4°
H13C23H14109.4°109.5°
H16C27H17109.5°115.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C23O22C11C1212.1°0.0°
C23O22C11C10167.7°180.0°
O22C23H12H13120.0°120.0°
O22C23H12H14120.0°120.0°
O22C23H13H14120.0°120.0°
O20C16C17C15176.6°179.9°
O20C16C15C213.9°0.2°
O20C16C17C18176.0°179.9°
O20C16C15C14175.7°180.0°
O20C16C17H34.0°0.3°
N30C31C21H19180.0°180.0°
C31N30C29C320.1°0.2°
N30C31C21C15174.9°180.0°
N30C31C21C339.6°0.3°
C31N30C29H18179.9°179.9°
C29N30C31C215.0°0.0°
N30C29C32H18180.0°179.8°
N30C29C32C330.3°0.2°
N30C29C32C37179.5°179.6°
C29N30C31H19175.0°180.0°
C31C21C15C16106.9°114.9°
C31C21C15C33165.1°179.7°
C31C21C33C329.3°0.3°
C31C21C15C1472.7°65.3°
C31C21C33C34174.6°179.7°
C29C32C33C214.4°0.1°
C29C32C33C37179.8°179.9°
C29C32C33C34179.4°180.0°
C29C32C37C36180.0°180.0°
C29C32C37H230.0°0.2°
O22C11C12C10179.8°180.0°
O22C11C12C13179.6°180.0°
O22C11C10C09179.7°180.0°
O22C11C10H10.3°0.2°
O22C11C12H80.4°0.0°
C11O22C23H12180.0°59.9°
C11O22C23H1360.0°180.0°
C11O22C23H1460.0°60.0°
C17C16C15C21179.6°179.8°
C16C17C18H3180.0°179.6°
C17C16C15C140.8°0.1°
C16C17C18O19176.7°179.7°
C16C17C18C060.5°0.3°
C17C16O20H11180.0°90.0°
C16C15C21C14179.6°179.8°
C16C15C21C3388.0°64.7°
C15C16C17C180.6°0.0°
C16C15C14C060.2°0.2°
C15C16C17H3179.4°179.6°
C16C15C14H9179.9°179.8°
C15C16O20H113.5°89.9°
C15C21C33C32174.3°180.0°
C15C21C33C349.6°0.0°
C21C15C14C06179.5°180.0°
C21C15C14H90.5°0.0°
C15C21C31H195.1°0.0°
C21C33C32C34176.2°180.0°
C21C33C32C37175.8°179.9°
C33C21C15C1492.4°115.1°
C21C33C34C35175.4°180.0°
C33C21C31H19170.4°179.7°
C21C33C34H204.5°0.1°
C11C12C13H8180.0°180.0°
C11C12C13C071.3°0.3°
C12C11C10C090.1°0.0°
C12C11C10H1179.9°179.7°
C11C12C13H2178.7°179.7°
C13C12C11C100.3°0.0°
C12C13C07H2180.0°179.4°
C12C13C07C092.3°0.5°
C12C13C07C04178.8°179.6°
C33C32C37C360.2°0.2°
C32C33C34C350.7°0.0°
C33C32C29H18179.7°180.0°
C32C33C34H20179.3°180.0°
C33C32C37H23179.8°180.0°
C37C32C33C340.4°0.1°
C32C37C36H23180.0°179.8°
C32C37C36C350.5°0.2°
C37C32C29H180.5°0.2°
C32C37C36H22179.6°180.0°
C17C18O19C06177.2°179.9°
C17C18C06C141.5°0.6°
C17C18C06C05179.8°179.9°
C17C18O19H10180.0°94.8°
C15C14C06C181.3°0.5°
C15C14C06H9180.0°180.0°
C15C14C06C05179.9°180.0°
C11C10C09H1180.0°179.8°
C11C10C09C071.0°0.2°
C11C10C09H7179.0°179.8°
C10C11C12H8179.7°180.0°
C33C34C35H20180.0°180.0°
C33C34C35C360.4°0.0°
C33C34C35H21179.6°180.0°
C37C36C35C340.2°0.1°
C37C36C35H22180.0°179.9°
C37C36C35H21179.8°179.9°
C13C07C09C102.1°0.5°
C13C07C09C04176.6°179.9°
C13C07C04C0553.0°113.7°
C13C07C04C03126.5°66.5°
C13C07C09H7177.9°179.5°
C07C13C12H8178.7°179.8°
C34C35C36H21180.0°180.0°
C34C35C36H22179.8°180.0°
C36C35C34H20179.6°180.0°
C35C36C37H23179.5°180.0°
O19C18C06C14175.8°179.5°
O19C18C06C052.9°0.0°
O19C18C17H33.4°0.1°
C18C06C14C05178.8°179.5°
C18C06C05C04135.4°132.7°
C18C06C05N0147.5°47.3°
C06C18C17H3179.4°180.0°
C18C06C14H9178.7°179.4°
C06C18O19H102.8°85.1°
C14C06C05C0445.9°46.7°
C14C06C05N01131.3°133.3°
C10C09C07H7180.0°180.0°
C10C09C07C04178.6°179.6°
C06C05C04C073.4°0.1°
C06C05C04N01177.7°180.0°
C06C05C04C03176.9°180.0°
C06C05N01O02176.7°180.0°
C05C06C14H90.1°0.0°
C09C07C04C05123.6°66.2°
C09C07C04C0356.9°113.6°
C07C09C10H1179.0°180.0°
C09C07C13H2177.7°179.9°
C07C04C05C03179.7°179.9°
C07C04C05N01178.9°179.9°
C07C04C03O02179.2°179.9°
C07C04C03N086.7°0.1°
C04C07C13H21.2°0.1°
C04C07C09H71.4°0.4°
C04C05N01O020.8°0.0°
C05C04C03O020.4°0.0°
C05C04C03N08173.7°179.9°
N01C05C04C030.7°0.0°
C05N01O02C030.5°0.0°
C04C03O02N010.0°0.0°
C04C03O02N08174.4°180.0°
C04C03N08C2436.7°180.0°
C04C03N08H6143.3°0.0°
O26C24N08C0321.6°0.0°
O26C24N08C25168.2°180.0°
O26C24C25C2867.2°0.0°
O26C24C25C272.8°68.6°
O26C24N08H6158.3°180.0°
O26C24C25H15146.7°145.7°
N01O02C03N08174.4°179.9°
O02C03N08C24150.1°0.1°
O02C03N08H629.9°179.9°
C03N08C24H6180.0°180.0°
C03N08C24C25170.2°180.0°
N08C24C25C28125.0°180.0°
N08C24C25C27170.6°111.4°
N08C24C25H1521.1°34.3°
C24C25C27C28101.0°107.5°
C24C25C28H15146.2°145.0°
C24C25C27H15149.6°145.0°
C24C25C28H4146.4°0.0°
C24C25C28H55.3°145.0°
C25C24N08H69.8°0.0°
C24C25C27H168.5°0.0°
C24C25C27H17149.4°145.0°
C27C28C25H4109.5°107.4°
C27C28C25H5109.4°107.5°
C28C27C25H16109.6°107.5°
C28C27C25H17109.6°107.5°
C27C28H4H5144.8°145.6°
C27C28C25H15109.6°107.5°
C28C27H16H17144.5°145.8°
C25C28H4H5144.8°145.8°
C25C27H16H17144.5°145.6°
H1C10C09H71.0°0.0°
H2C13C12H81.3°0.4°
H4C28C25H150.2°145.1°
H4C28C27H16141.0°0.0°
H4C28C27H170.1°145.1°
H5C28C25H15140.9°0.0°
H5C28C27H160.2°145.0°
H5C28C27H17141.0°0.1°
H12C23H13H14120.0°120.0°
H15C25C27H16141.0°145.0°
H15C25C27H170.2°0.0°
H20C34C35H210.4°0.0°
H21C35C36H220.1°0.0°
H22C36C37H230.4°0.1°

222415

PDB entries from 2024-07-10

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