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A1EA3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C17N04sing1.47Å1.49Å
C18C14doub1.38Å1.41ÅAromatic
C18C20sing1.39Å1.40ÅAromatic
C14C13sing1.38Å1.42ÅAromatic
O03C21doub1.22Å1.20Å
C07C09sing1.53Å1.54Å
C07C05sing1.53Å1.55Å
O02C21sing1.35Å1.43Å
O02C20sing1.36Å1.43Å
C21C22sing1.48Å1.54Å
C23C25doub1.38Å1.42ÅAromatic
C23C22sing1.40Å1.41ÅAromatic
N04C12sing1.47Å1.52Å
N04C16sing1.47Å1.50Å
C12C06sing1.53Å1.59Å
C25C27sing1.38Å1.41ÅAromatic
C22C24doub1.40Å1.41ÅAromatic
C20C19doub1.39Å1.41ÅAromatic
C09C11sing1.53Å1.54Å
C27C26doub1.38Å1.41ÅAromatic
C27C28sing1.51Å1.52Å
C24C26sing1.38Å1.41ÅAromatic
C13C06sing1.51Å1.57Å
C13C15doub1.38Å1.41ÅAromatic
O01C05sing1.43Å1.42Å
C05C06sing1.53Å1.60Å
C05C08sing1.53Å1.54Å
C11C10sing1.53Å1.54Å
C19C15sing1.38Å1.41ÅAromatic
C10C08sing1.53Å1.54Å
C06H1sing1.09Å1.10Å
C07H2sing1.09Å1.10Å
C07H3sing1.09Å1.10Å
C08H4sing1.09Å1.10Å
C08H5sing1.09Å1.10Å
C09H6sing1.09Å1.10Å
C09H7sing1.09Å1.10Å
C10H8sing1.09Å1.10Å
C10H9sing1.09Å1.10Å
C11H10sing1.09Å1.10Å
C11H11sing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C12H13sing1.09Å1.10Å
C14H14sing1.08Å1.08Å
C15H15sing1.08Å1.08Å
C16H16sing1.09Å1.10Å
C16H17sing1.09Å1.10Å
C16H18sing1.09Å1.10Å
C17H19sing1.09Å1.10Å
C17H20sing1.09Å1.10Å
C17H21sing1.09Å1.10Å
C18H22sing1.08Å1.08Å
C19H23sing1.08Å1.08Å
C23H24sing1.08Å1.08Å
C24H25sing1.08Å1.08Å
C25H26sing1.08Å1.08Å
C26H27sing1.08Å1.08Å
C28H28sing1.09Å1.10Å
C28H29sing1.09Å1.10Å
C28H30sing1.09Å1.10Å
O01H32sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C17N04C12109.7°111.0°
C17N04C16107.3°111.0°
N04C17H19109.5°109.6°
N04C17H20109.5°109.5°
N04C17H21109.4°109.4°
C14C18C20120.3°120.0°
C18C14C13122.8°120.1°
C18C14H14118.6°120.0°
C14C18H22119.9°120.0°
C18C20O02120.8°120.1°
C18C20C19118.4°119.8°
C20C18H22119.9°120.0°
C14C13C06123.0°120.0°
C14C13C15115.3°120.1°
C13C14H14118.6°120.0°
O03C21O02115.8°120.0°
O03C21C22123.3°120.0°
C09C07C05112.0°109.5°
C07C09C11111.1°109.5°
C09C07H2108.8°109.5°
C09C07H3108.8°109.5°
C07C09H6109.1°109.4°
C07C09H7109.1°109.5°
C07C05O01106.4°109.5°
C07C05C06113.5°109.5°
C07C05C08112.2°109.4°
C05C07H2108.9°109.4°
C05C07H3108.9°109.5°
C21O02C20116.6°117.0°
O02C21C22121.0°120.0°
O02C20C19120.7°120.1°
C21C22C23122.4°120.2°
C21C22C24121.5°120.1°
C25C23C22122.0°119.9°
C23C25C27121.8°120.2°
C25C23H24119.0°120.1°
C23C25H26119.1°119.9°
C23C22C24116.1°119.7°
C22C23H24119.0°120.0°
C12N04C16110.5°111.0°
N04C12C06113.3°109.5°
N04C12H12108.5°109.4°
N04C12H13108.5°109.5°
N04C16H16109.5°109.5°
N04C16H17109.5°109.4°
N04C16H18109.5°109.4°
C12C06C13106.0°109.5°
C12C06C05111.3°109.5°
C12C06H1107.7°109.5°
C06C12H12108.5°109.5°
C06C12H13108.5°109.5°
C25C27C26116.2°120.3°
C25C27C28121.9°119.9°
C27C25H26119.1°119.9°
C22C24C26121.9°119.8°
C22C24H25119.0°120.1°
C20C19C15120.4°120.0°
C20C19H23119.8°120.0°
C09C11C10112.3°109.5°
C11C09H6109.0°109.5°
C11C09H7109.1°109.5°
C09C11H10108.7°109.4°
C09C11H11108.8°109.5°
C26C27C28121.9°119.8°
C27C26C24122.0°120.1°
C27C26H27119.0°120.0°
C27C28H28109.5°109.5°
C27C28H29109.5°109.5°
C27C28H30109.5°109.4°
C26C24H25119.0°120.1°
C24C26H27119.0°119.9°
C06C13C15121.7°119.9°
C13C06C05116.1°109.5°
C13C06H1107.9°109.5°
C13C15C19122.9°120.0°
C13C15H15118.6°120.0°
O01C05C06105.1°109.5°
O01C05C08108.8°109.4°
C05O01H32109.5°114.0°
C06C05C08110.5°109.5°
C05C06H1107.6°109.5°
C05C08C10111.4°109.5°
C05C08H4109.0°109.4°
C05C08H5109.0°109.4°
C11C10C08112.3°109.5°
C11C10H8108.8°109.5°
C11C10H9108.8°109.5°
C10C11H10108.8°109.5°
C10C11H11108.7°109.5°
C19C15H15118.6°120.0°
C15C19H23119.8°120.0°
C10C08H4109.0°109.5°
C10C08H5109.0°109.5°
C08C10H8108.7°109.5°
C08C10H9108.8°109.4°
H2C07H3109.5°109.4°
H4C08H5109.5°109.5°
H6C09H7109.5°109.4°
H8C10H9109.5°109.5°
H10C11H11109.5°109.5°
H12C12H13109.4°109.5°
H16C16H17109.4°109.5°
H16C16H18109.5°109.5°
H17C16H18109.5°109.5°
H19C17H20109.4°109.5°
H19C17H21109.5°109.5°
H20C17H21109.5°109.4°
H28C28H29109.5°109.5°
H28C28H30109.5°109.5°
H29C28H30109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C17N04C12C16118.1°124.0°
C17N04C12C06130.6°170.0°
C17N04C12H1210.0°70.0°
C17N04C12H13108.9°50.0°
C17N04C16H16180.0°60.0°
C17N04C16H1760.0°180.0°
C17N04C16H1860.0°60.1°
N04C17H19H20120.0°120.1°
N04C17H19H21120.0°120.0°
N04C17H20H21120.0°119.9°
C14C18C20H22180.0°180.0°
C18C14C13H14180.0°180.0°
C14C18C20O02179.8°180.0°
C14C18C20C190.0°0.2°
C18C14C13C06179.6°180.0°
C18C14C13C150.4°0.3°
C20C18C14C130.2°0.0°
C18C20O02C21109.0°110.9°
C18C20O02C19179.8°179.7°
C18C20C19C150.0°0.3°
C20C18C14H14179.8°180.0°
C18C20C19H23180.0°179.7°
C14C13C06C1254.6°60.3°
C14C13C06C15179.2°179.7°
C14C13C06C0569.5°59.7°
C14C13C15C190.4°0.3°
C14C13C06H1169.8°179.7°
C14C13C15H15179.6°179.8°
C13C14C18H22179.8°180.0°
O03C21O02C22179.8°180.0°
O03C21O02C2021.3°5.7°
O03C21C22C23161.8°179.7°
O03C21C22C2418.1°0.0°
C09C07C05H2120.4°120.0°
C09C07C05H3120.4°120.1°
C07C09C11H6120.3°120.0°
C07C09C11H7120.3°120.0°
C09C07C05O01126.1°60.0°
C09C07C05C06118.9°180.0°
C09C07C05C087.2°60.0°
C07C09C11C1049.2°60.0°
C09C07H2H3118.8°120.0°
C07C09H6H7119.3°120.0°
C07C09C11H1071.3°180.0°
C07C09C11H11169.6°60.0°
C07C05C06C129.8°60.0°
C05C07C09C1157.0°60.0°
C07C05C06C13111.5°180.0°
C07C05O01C06120.6°120.1°
C07C05O01C08121.1°120.0°
C07C05C06C08126.9°120.0°
C07C05C08C1048.8°60.0°
C07C05C06H1127.5°60.0°
C05C07H2H3118.9°120.0°
C07C05C08H471.5°60.0°
C07C05C08H5169.1°180.0°
C05C07C09H6177.2°60.0°
C05C07C09H763.3°179.9°
C07C05O01H32180.0°59.9°
O02C21C22C2318.4°0.3°
O02C21C22C24161.6°180.0°
C21O02C20C1970.7°69.4°
C20O02C21C22158.5°174.3°
O02C20C19C15179.8°180.0°
O02C20C18H220.2°0.0°
O02C20C19H230.2°0.0°
C21C22C23C25179.9°179.9°
C21C22C23C24180.0°179.7°
C21C22C24C26180.0°180.0°
C21C22C23H240.1°0.1°
C21C22C24H250.0°0.0°
C25C23C22H24180.0°179.9°
C23C25C27H26180.0°179.9°
C25C23C22C240.1°0.3°
C23C25C27C260.1°0.3°
C23C25C27C28180.0°180.0°
C22C23C25C270.2°0.0°
C23C22C24C260.0°0.3°
C23C22C24H25180.0°179.7°
C22C23C25H26179.8°179.9°
N04C12C06H12120.6°120.0°
N04C12C06H13120.6°120.0°
N04C12C06C1345.8°65.0°
N04C12C06C05172.9°175.0°
N04C12C06H169.5°55.0°
N04C12H12H13118.3°120.0°
C12N04C16H1660.4°176.0°
C12N04C16H1759.5°56.0°
C12N04C16H18179.5°63.9°
C12N04C17H19180.0°60.0°
C12N04C17H2060.0°180.0°
C12N04C17H2160.0°60.1°
C16N04C12C06111.3°66.0°
C16N04C12H12128.1°54.0°
C16N04C12H139.2°174.0°
N04C16H16H17120.0°120.0°
N04C16H16H18120.0°120.0°
N04C16H17H18120.0°119.9°
C16N04C17H1960.0°176.0°
C16N04C17H2060.0°56.0°
C16N04C17H21180.0°63.9°
C12C06C13C05124.1°120.0°
C12C06C13H1115.2°120.0°
C12C06C13C15124.6°120.0°
C12C06C05O01125.6°60.0°
C12C06C05H1117.7°120.0°
C12C06C05C08117.1°180.0°
C06C12H12H13118.2°120.0°
C25C27C26C28180.0°179.7°
C25C27C26C240.0°0.3°
C27C25C23H24179.9°179.9°
C25C27C26H27180.0°179.7°
C25C27C28H2890.0°89.9°
C25C27C28H29150.0°150.0°
C25C27C28H3030.0°30.0°
C22C24C26C270.1°0.0°
C22C24C26H25180.0°179.9°
C24C22C23H24179.9°179.8°
C22C24C26H27179.9°180.0°
C20C19C15C130.2°0.0°
C20C19C15H23180.0°180.0°
C20C19C15H15179.8°179.9°
C19C20C18H22180.0°179.7°
C09C11C10H10120.4°119.9°
C09C11C10H11120.4°120.0°
C09C11C10C086.9°60.0°
C11C09C07H2177.4°180.0°
C11C09C07H363.4°60.0°
C11C09H6H7119.2°120.0°
C09C11C10H8113.6°180.0°
C09C11C10H9127.3°60.0°
C09C11H10H11118.7°120.0°
C27C26C24H27180.0°180.0°
C27C26C24H25180.0°179.9°
C26C27C25H26179.9°179.8°
C26C27C28H2890.0°89.8°
C26C27C28H2930.0°30.3°
C26C27C28H30150.0°150.2°
C28C27C26C24179.9°180.0°
C28C27C25H260.0°0.1°
C28C27C26H270.1°0.0°
C27C28H28H29120.0°120.1°
C27C28H28H30120.0°119.9°
C27C28H29H30120.0°119.9°
C13C06C05O014.3°59.9°
C13C06C05H1120.9°120.0°
C13C06C05C08121.5°60.0°
C06C13C15C19179.7°180.0°
C13C06C12H1274.8°175.0°
C13C06C12H13166.4°55.0°
C06C13C14H140.3°0.0°
C06C13C15H150.3°0.0°
C15C13C06C05111.3°120.0°
C13C15C19H15180.0°180.0°
C15C13C06H19.4°0.0°
C15C13C14H14179.6°179.7°
C13C15C19H23179.8°180.0°
O01C05C06C08117.2°120.0°
O01C05C08C1068.6°60.0°
O01C05C06H1116.6°180.0°
O01C05C07H2113.5°60.0°
O01C05C07H35.8°180.0°
O01C05C08H4171.1°180.0°
O01C05C08H551.7°60.0°
C06C05C08C10176.5°180.0°
C06C05C07H21.5°60.1°
C06C05C07H3120.8°59.9°
C06C05C08H456.2°60.0°
C06C05C08H563.2°60.0°
C05C06C12H1252.3°55.0°
C05C06C12H1366.5°65.0°
C06C05O01H3259.4°180.0°
C05C08C10C1157.0°60.0°
C05C08C10H4120.3°120.0°
C05C08C10H5120.3°120.0°
C08C05C06H10.6°60.0°
C08C05C07H2127.6°180.0°
C08C05C07H3113.2°60.1°
C05C08H4H5119.1°119.9°
C05C08C10H863.5°180.0°
C05C08C10H9177.4°60.0°
C08C05O01H3258.9°60.0°
C11C10C08H8120.4°120.0°
C11C10C08H9120.4°120.0°
C11C10C08H463.3°60.0°
C11C10C08H5177.2°180.0°
C10C11C09H6169.4°60.0°
C10C11C09H771.1°179.9°
C11C10H8H9118.7°120.0°
C10C11H10H11118.7°120.1°
C10C08H4H5119.1°120.1°
C08C10H8H9118.7°120.0°
C08C10C11H10127.3°179.9°
C08C10C11H11113.6°60.0°
H1C06C12H12169.9°65.0°
H1C06C12H1351.1°175.0°
H2C07C09H662.4°60.0°
H2C07C09H757.1°59.9°
H3C07C09H656.8°180.0°
H3C07C09H7176.4°60.0°
H4C08C10H8176.2°60.0°
H4C08C10H957.1°180.0°
H5C08C10H856.8°60.0°
H5C08C10H962.3°60.0°
H6C09C11H1049.0°60.0°
H6C09C11H1170.1°180.0°
H7C09C11H10168.5°60.0°
H7C09C11H1149.3°60.0°
H8C10C11H106.8°60.1°
H8C10C11H11126.0°60.0°
H9C10C11H10112.3°60.0°
H9C10C11H116.8°180.0°
H14C14C18H220.2°0.0°
H15C15C19H230.2°0.0°
H16C16H17H18120.0°120.1°
H19C17H20H21120.0°120.0°
H24C23C25H260.1°0.0°
H25C24C26H270.0°0.1°
H28C28H29H30120.0°120.0°

260896

PDB entries from 2026-10-14

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