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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.40Å1.40ÅAromatic
C1C10sing1.38Å1.39ÅAromatic
C2N3sing1.36Å1.33ÅAromatic
C2C7sing1.40Å1.39ÅAromatic
N3C5doub1.30Å1.33ÅAromatic
C5N6sing1.36Å1.34ÅAromatic
N6C7sing1.38Å1.33ÅAromatic
C7C8doub1.39Å1.39ÅAromatic
C8C9sing1.38Å1.40ÅAromatic
C9C10doub1.39Å1.40ÅAromatic
C10N11sing1.40Å1.33Å
N11C12sing1.47Å1.47Å
N11C15sing1.38Å1.34Å
C12C13sing1.54Å1.52Å
C13C14sing1.51Å1.52Å
C14C15sing1.39Å1.40ÅAromatic
C14C25doub1.39Å1.39ÅAromatic
C15N16doub1.34Å1.35ÅAromatic
N16C17sing1.32Å1.35ÅAromatic
C17N18sing1.38Å1.39Å
C17N24doub1.32Å1.33ÅAromatic
N18C19sing1.47Å1.46Å
N18C23sing1.47Å1.47Å
C19C20sing1.53Å1.53Å
C20O21sing1.43Å1.41Å
O21C22sing1.43Å1.40Å
C22C23sing1.53Å1.53Å
N24C25sing1.33Å1.34ÅAromatic
C25C26sing1.48Å1.40ÅAromatic
C26C27doub1.39Å1.40ÅAromatic
C26C28sing1.39Å1.39ÅAromatic
C27C31sing1.39Å1.39ÅAromatic
C28C29doub1.38Å1.40ÅAromatic
C29C30sing1.38Å1.39ÅAromatic
C30C31doub1.39Å1.40ÅAromatic
C31O32sing1.36Å1.37Å
C1H1sing1.08Å1.08Å
C5H5sing1.08Å1.08Å
N6HN6sing0.97Å1.00Å
C8H8sing1.08Å1.08Å
C9H9sing1.08Å1.08Å
C12H12sing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
C13H13sing1.09Å1.10Å
C13H13Asing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C19H19Asing1.09Å1.10Å
C20H20sing1.09Å1.10Å
C20H20Asing1.09Å1.10Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
C23H23sing1.09Å1.10Å
C23H23Asing1.09Å1.10Å
C27H27sing1.08Å1.08Å
C28H28sing1.08Å1.08Å
C29H29sing1.08Å1.08Å
C30H30sing1.08Å1.08Å
O32HO32sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C10119.7°119.7°
C1C2N3132.5°133.5°
C1C2C7120.8°119.6°
C2C1H1120.1°120.2°
C1C10C9119.1°120.4°
C1C10N11121.9°119.8°
C10C1H1120.1°120.2°
N3C2C7106.6°106.9°
C2N3C5108.7°109.6°
C2C7N6107.6°106.0°
C2C7C8119.8°120.0°
N3C5N6108.8°110.2°
N3C5H5125.6°124.9°
C5N6C7108.2°107.2°
N6C5H5125.6°124.9°
C5N6HN6125.9°126.4°
N6C7C8132.5°134.0°
C7N6HN6125.9°126.4°
C7C8C9119.6°120.0°
C7C8H8120.2°120.0°
C8C9C10120.9°120.3°
C9C8H8120.2°120.0°
C8C9H9119.5°119.9°
C9C10N11119.0°119.8°
C10C9H9119.6°119.8°
C10N11C12121.4°124.9°
C10N11C15126.0°124.9°
C12N11C15112.3°110.3°
N11C12C13105.2°105.1°
N11C12H12110.9°110.3°
N11C12H12A110.9°110.3°
N11C15C14109.2°111.7°
N11C15N16133.1°130.1°
C12C13C14101.8°104.3°
C13C12H12110.9°110.3°
C13C12H12A110.9°110.3°
C12C13H13112.1°110.4°
C12C13H13A112.1°110.5°
C13C14C15110.7°108.5°
C13C14C25128.8°132.2°
C14C13H13112.1°110.5°
C14C13H13A112.1°110.5°
C15C14C25120.6°119.3°
C14C15N16117.7°118.2°
C14C25N24117.9°118.9°
C14C25C26123.2°120.5°
C15N16C17120.9°121.0°
N16C17N18122.6°118.9°
N16C17N24121.1°122.1°
N18C17N24116.3°119.0°
C17N18C19119.4°111.0°
C17N18C23122.4°111.0°
C17N24C25121.8°120.4°
C19N18C23118.1°110.7°
N18C19C20111.2°109.2°
N18C19H19108.9°109.5°
N18C19H19A108.9°109.5°
N18C23C22110.3°109.3°
N18C23H23109.2°109.5°
N18C23H23A109.2°109.5°
C19C20O21115.4°109.2°
C20C19H19108.9°109.5°
C20C19H19A108.9°109.5°
C19C20H20107.6°109.5°
C19C20H20A107.5°109.5°
C20O21C22106.0°113.8°
O21C20H20107.5°109.5°
O21C20H20A107.6°109.5°
O21C22C23103.5°109.2°
O21C22H22111.5°109.6°
O21C22H22A111.5°109.5°
C23C22H22111.5°109.5°
C23C22H22A111.5°109.5°
C22C23H23109.2°109.5°
C22C23H23A109.2°109.5°
N24C25C26118.8°120.5°
C25C26C27118.3°120.1°
C25C26C28122.9°120.1°
C27C26C28118.8°119.8°
C26C27C31121.6°119.8°
C26C27H27119.2°120.1°
C26C28C29120.0°120.0°
C26C28H28120.0°120.0°
C27C31C30118.9°120.0°
C27C31O32119.7°120.0°
C31C27H27119.2°120.1°
C28C29C30120.6°120.2°
C29C28H28120.0°120.0°
C28C29H29119.7°119.9°
C29C30C31120.0°120.2°
C30C29H29119.7°119.9°
C29C30H30120.0°119.9°
C30C31O32121.4°120.0°
C31C30H30120.0°119.9°
C31O32HO32109.5°114.1°
H12C12H12A108.0°110.4°
H13C13H13A106.7°110.5°
H19C19H19A110.0°109.6°
H20C20H20A111.3°109.6°
H22C22H22A107.4°109.5°
H23C23H23A109.8°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C10H1180.0°179.8°
C1C2N3C7179.1°180.0°
C1C2N3C5179.4°180.0°
C1C2C7N6179.6°180.0°
C1C2C7C80.4°0.0°
C2C1C10C90.2°0.1°
C2C1C10N11178.7°180.0°
C10C1C2N3179.7°180.0°
C10C1C2C70.7°0.0°
C1C10C9C80.6°0.1°
C1C10C9N11178.9°179.9°
C1C10N11C12157.9°179.9°
C1C10N11C1528.5°0.3°
C1C10C9H9179.4°180.0°
C2N3C5N60.0°0.1°
N3C2C7N60.4°0.0°
N3C2C7C8179.7°180.0°
N3C2C1H10.2°0.2°
C2N3C5H5180.0°180.0°
C7C2N3C50.2°0.0°
C2C7N6C50.4°0.1°
C2C7N6C8179.9°180.0°
C2C7C8C90.3°0.0°
C7C2C1H1179.3°179.8°
C2C7N6HN6179.6°180.0°
C2C7C8H8179.6°179.9°
N3C5N6H5180.0°179.9°
N3C5N6C70.2°0.1°
N3C5N6HN6179.7°180.0°
C5N6C7HN6180.0°179.9°
C5N6C7C8179.7°180.0°
N6C7C8C9179.6°180.0°
C7N6C5H5179.8°180.0°
N6C7C8H80.5°0.1°
C7C8C9H8180.0°179.9°
C7C8C9C100.9°0.0°
C8C7N6HN60.3°0.1°
C7C8C9H9179.1°179.9°
C8C9C10H9180.0°179.9°
C8C9C10N11179.5°180.0°
C9C10N11C1223.3°0.0°
C9C10N11C15150.3°179.6°
C9C10C1H1179.8°179.7°
C10C9C8H8179.1°179.9°
C10N11C12C15174.4°179.7°
C10N11C12C13165.5°180.0°
C10N11C15C14168.4°179.8°
C10N11C15N1611.3°0.0°
N11C10C1H11.4°0.2°
N11C10C9H90.5°0.1°
C10N11C12H1274.5°61.1°
C10N11C12H12A45.5°61.1°
N11C12C13H12120.0°118.9°
N11C12C13H12A120.0°118.9°
N11C12C13C148.0°0.0°
C12N11C15C145.6°0.5°
C12N11C15N16174.7°179.7°
N11C12H12H12A121.7°122.1°
N11C12C13H13128.0°118.7°
N11C12C13H13A112.0°118.8°
C15N11C12C138.9°0.3°
N11C15C14C130.1°0.5°
N11C15C14N16179.7°179.9°
N11C15C14C25179.9°179.7°
N11C15N16C17179.7°180.0°
C15N11C12H12111.1°119.2°
C15N11C12H12A128.9°118.6°
C12C13C14H13120.0°118.7°
C12C13C14H13A120.0°118.7°
C12C13C14C155.3°0.3°
C12C13C14C25174.7°179.9°
C13C12H12H12A121.7°122.2°
C12C13H13H13A123.1°122.5°
C13C14C15C25180.0°179.8°
C13C14C15N16179.7°179.7°
C13C14C25N24179.4°179.1°
C13C14C25C261.8°0.0°
C14C13C12H12112.0°118.9°
C14C13C12H12A128.0°118.9°
C14C13H13H13A123.1°122.6°
C14C15N16C170.0°0.1°
C15C14C25N240.6°0.7°
C15C14C25C26178.2°179.7°
C15C14C13H13125.2°119.0°
C15C14C13H13A114.7°118.5°
C25C14C15N160.3°0.2°
C14C25N24C170.7°0.9°
C14C25N24C26177.7°179.1°
C14C25C26C27142.5°145.0°
C14C25C26C2836.1°35.3°
C25C14C13H1354.8°61.2°
C25C14C13H13A65.3°61.3°
C15N16C17N18179.3°180.0°
C15N16C17N240.1°0.1°
N16C17N18N24179.4°179.9°
N16C17N18C19173.9°180.0°
N16C17N18C238.9°56.4°
N16C17N24C250.4°0.6°
C17N18C19C23177.4°123.7°
C17N18C19C20157.4°177.6°
C17N18C23C22142.2°177.6°
N18C17N24C25179.0°179.4°
C17N18C19H1982.6°62.5°
C17N18C19H19A37.4°57.7°
C17N18C23H2322.2°57.7°
C17N18C23H23A97.9°62.4°
N24C17N18C196.8°0.0°
N24C17N18C23170.5°123.6°
C17N24C25C26178.3°180.0°
N18C19C20H19120.0°119.9°
N18C19C20H19A120.0°119.9°
N18C19C20O2136.1°56.9°
C19N18C23C2240.5°58.6°
N18C19H19H19A119.3°120.1°
N18C19C20H20156.1°176.8°
N18C19C20H20A83.9°63.1°
C19N18C23H23160.5°178.5°
C19N18C23H23A79.4°61.3°
C23N18C19C2025.2°58.7°
N18C23C22O2164.9°56.8°
N18C23C22H23120.0°119.9°
N18C23C22H23A120.0°120.0°
C23N18C19H1994.8°61.3°
C23N18C19H19A145.2°178.5°
N18C23C22H22175.1°176.8°
N18C23C22H22A55.1°63.1°
N18C23H23H23A119.7°120.1°
C19C20O21H20120.0°119.9°
C19C20O21H20A120.0°119.9°
C19C20O21C2264.2°58.7°
C20C19H19H19A119.3°120.1°
C19C20H20H20A117.6°120.1°
C20O21C22C2375.7°58.6°
O21C20C19H1983.9°63.1°
O21C20C19H19A156.1°176.7°
O21C20H20H20A117.6°120.2°
C20O21C22H22164.3°178.6°
C20O21C22H22A44.2°61.2°
O21C22C23H22120.0°120.0°
O21C22C23H22A120.0°119.9°
C22O21C20H20175.8°178.6°
C22O21C20H20A55.8°61.2°
O21C22H22H22A122.4°120.1°
O21C22C23H23175.1°176.7°
O21C22C23H23A55.1°63.2°
C23C22H22H22A122.4°120.1°
C22C23H23H23A119.7°120.1°
N24C25C26C2735.0°34.1°
N24C25C26C28146.3°145.6°
C25C26C27C28178.7°179.8°
C25C26C27C31179.9°180.0°
C25C26C28C29179.3°180.0°
C25C26C27H270.1°0.1°
C25C26C28H280.7°0.0°
C26C27C31H27180.0°180.0°
C27C26C28C290.6°0.2°
C26C27C31C301.2°0.1°
C26C27C31O32179.9°179.9°
C27C26C28H28179.4°179.8°
C28C26C27C311.2°0.2°
C26C28C29H28180.0°180.0°
C26C28C29C300.0°0.0°
C28C26C27H27178.8°179.8°
C26C28C29H29180.0°180.0°
C27C31C30C290.5°0.1°
C27C31C30O32178.7°179.9°
C27C31C30H30179.5°179.9°
C27C31O32HO32180.0°90.0°
C28C29C30H29180.0°179.9°
C28C29C30C310.1°0.2°
C28C29C30H30179.9°180.0°
C29C30C31H30180.0°179.8°
C29C30C31O32179.2°179.7°
C30C29C28H28180.0°180.0°
C30C31C27H27178.9°180.0°
C31C30C29H29179.9°179.8°
C30C31O32HO321.3°89.9°
O32C31C27H270.1°0.1°
O32C31C30H300.8°0.1°
H5C5N6HN60.2°0.0°
H8C8C9H90.9°0.0°
H12C12C13H138.0°0.2°
H12C12C13H13A128.0°122.3°
H12AC12C13H13112.0°122.4°
H12AC12C13H13A8.0°0.1°
H19C19C20H2036.1°56.9°
H19C19C20H20A156.1°177.0°
H19AC19C20H2083.9°63.3°
H19AC19C20H20A36.1°56.8°
H22C22C23H2355.1°63.2°
H22C22C23H23A64.9°56.9°
H22AC22C23H2364.9°56.9°
H22AC22C23H23A175.1°177.0°
H28C28C29H290.0°0.0°
H29C29C30H300.1°0.0°

222415

PDB entries from 2024-07-10

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