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05B

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.52Å
C1C6sing1.53Å1.52Å
C1C7sing1.53Å1.55Å
C1C11sing1.51Å1.55Å
C2N3sing1.46Å1.48Å
N3C4sing1.35Å1.37Å
C4O10doub1.22Å1.26Å
C4C12sing1.47Å1.49Å
N5C8sing1.47Å1.45Å
N5C9sing1.47Å1.47Å
C6C9sing1.53Å1.56Å
C7C8sing1.53Å1.56Å
C11C12doub1.39Å1.39ÅAromatic
C11N15sing1.33Å1.31ÅAromatic
C12C13sing1.40Å1.39ÅAromatic
C13C14doub1.36Å1.34ÅAromatic
C14N15sing1.38Å1.38ÅAromatic
C14C16sing1.48Å1.46ÅAromatic
C16C17doub1.40Å1.39ÅAromatic
C16N21sing1.33Å1.34ÅAromatic
C17C18sing1.38Å1.38ÅAromatic
C18N19doub1.32Å1.31ÅAromatic
N19C20sing1.33Å1.35ÅAromatic
C20N21doub1.32Å1.35ÅAromatic
C20C22sing1.48Å1.44ÅAromatic
C22C23doub1.39Å1.38ÅAromatic
C22C25sing1.39Å1.39ÅAromatic
C23C24sing1.38Å1.38ÅAromatic
C24C27doub1.39Å1.37ÅAromatic
C25C26doub1.38Å1.39ÅAromatic
C26C27sing1.40Å1.41ÅAromatic
C26O30sing1.37Å1.35Å
C27O28sing1.36Å1.37Å
O28C29sing1.44Å1.44Å
C29O30sing1.44Å1.47Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
N3HN3sing0.97Å1.00Å
N5HN5sing1.01Å1.00Å
C6H6sing1.09Å1.10Å
C6H6Asing1.09Å1.10Å
C7H7sing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
C8H8sing1.09Å1.10Å
C8H8Asing1.09Å1.10Å
C9H9sing1.09Å1.10Å
C9H9Asing1.09Å1.10Å
C13H13sing1.08Å1.08Å
N15HN15sing0.97Å1.00Å
C17H17sing1.08Å1.08Å
C18H18sing1.08Å1.08Å
C23H23sing1.08Å1.08Å
C24H24sing1.08Å1.08Å
C25H25sing1.08Å1.08Å
C29H29sing1.09Å1.10Å
C29H29Asing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6111.2°109.7°
C2C1C7109.4°109.7°
C2C1C11104.3°108.9°
C1C2N3113.5°112.9°
C1C2H2108.1°108.8°
C1C2H2A108.2°108.8°
C6C1C7109.7°109.3°
C6C1C11111.1°109.6°
C1C6C9111.3°109.3°
C1C6H6108.9°109.5°
C1C6H6A108.9°109.5°
C7C1C11111.1°109.6°
C1C7C8118.1°109.2°
C1C7H7106.7°109.5°
C1C7H7A106.7°109.5°
C1C11C12125.5°120.9°
C1C11N15127.4°131.0°
C2N3C4124.5°122.6°
N3C2H2108.2°108.8°
N3C2H2A108.1°108.8°
C2N3HN3117.7°118.7°
N3C4O10122.7°121.6°
N3C4C12112.1°116.7°
C4N3HN3117.7°118.7°
O10C4C12125.1°121.7°
C4C12C11120.8°120.7°
C4C12C13131.1°131.8°
C8N5C9116.1°111.2°
N5C8C7109.3°109.5°
C8N5HN5107.3°111.0°
N5C8H8109.5°109.5°
N5C8H8A109.5°109.5°
N5C9C6111.6°109.5°
C9N5HN5107.3°111.0°
N5C9H9108.8°109.4°
N5C9H9A108.8°109.4°
C9C6H6108.9°109.5°
C9C6H6A108.9°109.5°
C6C9H9108.8°109.5°
C6C9H9A108.7°109.5°
C8C7H7106.7°109.5°
C8C7H7A106.7°109.5°
C7C8H8109.5°109.4°
C7C8H8A109.5°109.5°
C12C11N15106.9°108.1°
C11C12C13107.9°107.5°
C11N15C14110.2°109.2°
C11N15HN15124.9°125.4°
C12C13C14106.6°106.7°
C12C13H13126.7°126.6°
C13C14N15108.3°108.5°
C13C14C16130.5°125.7°
C14C13H13126.7°126.6°
N15C14C16121.2°125.8°
C14N15HN15124.9°125.4°
C14C16C17122.8°120.5°
C14C16N21118.9°120.6°
C17C16N21118.3°118.9°
C16C17C18118.6°118.4°
C16C17H17120.7°120.8°
C16N21C20119.8°120.6°
C17C18N19122.6°119.4°
C18C17H17120.7°120.8°
C17C18H18118.7°120.3°
C18N19C20117.3°121.0°
N19C18H18118.7°120.3°
N19C20N21123.3°121.7°
N19C20C22115.9°119.1°
N21C20C22120.8°119.2°
C20C22C23116.8°120.0°
C20C22C25122.4°120.1°
C23C22C25120.8°119.9°
C22C23C24121.1°120.0°
C22C23H23119.4°120.0°
C22C25C26117.7°119.9°
C22C25H25121.2°120.1°
C23C24C27119.5°120.2°
C24C23H23119.5°120.0°
C23C24H24120.2°119.9°
C24C27C26119.5°120.0°
C24C27O28129.3°131.4°
C27C24H24120.3°119.9°
C25C26C27121.4°120.0°
C25C26O30131.6°131.5°
C26C25H25121.2°120.0°
C27C26O30107.0°108.6°
C26C27O28111.2°108.6°
C26O30C29106.8°105.4°
C27O28C29104.5°105.5°
O28C29O30104.3°103.6°
O28C29H29111.2°110.6°
O28C29H29A111.2°110.6°
O30C29H29111.2°111.0°
O30C29H29A111.2°110.2°
H2C2H2A110.8°108.7°
H6C6H6A110.1°109.5°
H7C7H7A112.1°109.6°
H8C8H8A109.4°109.4°
H9C9H9A110.2°109.5°
H29C29H29A107.7°110.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6C7121.1°120.3°
C2C1C6C11115.6°119.5°
C2C1C7C11114.6°119.6°
C1C2N3H2120.0°120.9°
C1C2N3H2A120.0°120.9°
C1C2N3C448.7°38.9°
C2C1C6C972.3°62.7°
C2C1C7C876.3°62.7°
C2C1C11C1223.3°29.2°
C2C1C11N15152.0°150.8°
C1C2H2H2A118.3°118.4°
C1C2N3HN3131.3°141.0°
C2C1C6H6167.7°177.3°
C2C1C6H6A47.7°57.2°
C2C1C7H743.7°57.3°
C2C1C7H7A163.7°177.4°
C6C1C7C11123.2°120.2°
C6C1C2N374.0°166.4°
C1C6C9N555.9°59.1°
C1C6C9H6120.0°120.0°
C1C6C9H6A120.0°119.9°
C6C1C7C845.9°57.6°
C6C1C11C1296.6°149.2°
C6C1C11N1588.2°30.8°
C6C1C2H2165.9°72.7°
C6C1C2H2A46.0°45.6°
C1C6H6H6A119.3°120.1°
C6C1C7H7165.9°177.5°
C6C1C7H7A74.1°62.4°
C1C6C9H964.1°60.9°
C1C6C9H9A175.9°179.0°
C7C1C2N3164.6°73.6°
C1C7C8N545.3°59.1°
C7C1C6C948.8°57.6°
C1C7C8H7120.0°119.9°
C1C7C8H7A120.0°120.0°
C7C1C11C12141.0°90.9°
C7C1C11N1534.3°89.1°
C7C1C2H244.6°47.3°
C7C1C2H2A75.4°165.6°
C7C1C6H671.2°62.4°
C7C1C6H6A168.8°177.5°
C1C7H7H7A116.4°120.1°
C1C7C8H8165.3°179.2°
C1C7C8H8A74.7°60.9°
C11C1C2N345.7°46.5°
C1C11C12C45.7°0.2°
C11C1C6C9172.0°177.8°
C11C1C7C8169.2°177.8°
C1C11C12N15176.1°180.0°
C1C11C12C13178.2°179.9°
C1C11N15C14178.2°180.0°
C11C1C2H274.3°167.3°
C11C1C2H2A165.7°74.4°
C11C1C6H652.0°57.8°
C11C1C6H6A68.0°62.4°
C11C1C7H770.9°62.3°
C11C1C7H7A49.1°57.8°
C1C11N15HN151.8°0.2°
C2N3C4HN3180.0°180.0°
C2N3C4O10161.8°172.1°
C2N3C4C1216.3°7.9°
N3C2H2H2A118.3°118.3°
N3C4O10C12177.9°180.0°
N3C4C12C1111.0°12.8°
N3C4C12C13173.9°167.3°
C4N3C2H271.3°159.8°
C4N3C2H2A168.8°81.9°
O10C4C12C11170.9°167.2°
O10C4C12C134.1°12.7°
O10C4N3HN318.2°8.0°
C4C12C11C13176.1°179.9°
C4C12C11N15178.2°179.9°
C4C12C13C14176.7°179.8°
C12C4N3HN3163.7°172.0°
C4C12C13H133.3°0.1°
C8N5C9HN5120.0°124.1°
C8N5C9C658.3°61.8°
N5C8C7H8120.0°120.0°
N5C8C7H8A120.0°120.1°
N5C8C7H7165.3°179.0°
N5C8C7H7A74.7°60.8°
N5C8H8H8A120.1°120.0°
C8N5C9H961.7°58.3°
C8N5C9H9A178.3°178.3°
N5C9C6H9120.0°120.0°
N5C9C6H9A120.0°120.0°
C9N5C8C750.8°61.8°
N5C9C6H664.1°60.9°
N5C9C6H6A175.9°179.0°
C9N5C8H8170.8°178.2°
C9N5C8H8A69.2°58.3°
N5C9H9H9A119.2°119.9°
C6C9N5HN5178.3°174.1°
C9C6H6H6A119.2°120.1°
C6C9H9H9A119.1°120.0°
C7C8N5HN5170.8°174.1°
C8C7H7H7A116.5°120.1°
C7C8H8H8A120.1°120.0°
C11C12C13C141.2°0.1°
C12C11N15C142.3°0.0°
C11C12C13H13178.8°180.0°
C12C11N15HN15177.8°179.9°
N15C11C12C132.2°0.1°
C11N15C14C131.6°0.0°
C11N15C14HN15180.0°179.9°
C11N15C14C16178.6°179.9°
C12C13C14H13180.0°180.0°
C12C13C14N150.2°0.0°
C12C13C14C16176.8°180.0°
C13C14N15C16177.0°179.9°
C13C14C16C176.3°180.0°
C13C14C16N21173.0°0.3°
C13C14N15HN15178.5°179.9°
N15C14C16C17177.4°0.1°
N15C14C16N213.3°179.8°
N15C14C13H13179.9°180.0°
C14C16C17N21179.3°179.7°
C14C16C17C18179.7°180.0°
C14C16N21C20179.7°179.8°
C16C14C13H133.2°0.1°
C16C14N15HN151.5°0.2°
C14C16C17H170.3°0.0°
C16C17C18H17180.0°180.0°
C16C17C18N190.3°0.0°
C17C16N21C200.9°0.5°
C16C17C18H18179.7°180.0°
N21C16C17C181.0°0.2°
C16N21C20N190.4°0.5°
C16N21C20C22178.4°179.7°
N21C16C17H17179.1°179.7°
C17C18N19H18180.0°180.0°
C17C18N19C201.5°0.0°
C18N19C20N211.6°0.3°
C18N19C20C22179.8°180.0°
N19C18C17H17179.7°180.0°
N19C20N21C22178.1°179.7°
N19C20C22C2337.8°180.0°
N19C20C22C25142.4°0.3°
C20N19C18H18178.5°180.0°
N21C20C22C23144.0°0.2°
N21C20C22C2535.8°180.0°
C20C22C23C25179.8°179.7°
C20C22C23C24178.7°180.0°
C20C22C25C26179.9°180.0°
C20C22C23H231.3°0.0°
C20C22C25H250.0°0.0°
C22C23C24H23180.0°179.9°
C22C23C24C272.4°0.0°
C23C22C25C260.2°0.3°
C22C23C24H24177.6°180.0°
C23C22C25H25179.8°179.8°
C25C22C23C241.5°0.3°
C22C25C26H25180.0°179.9°
C22C25C26C270.3°0.0°
C22C25C26O30179.4°179.9°
C25C22C23H23178.5°179.8°
C23C24C27H24180.0°180.0°
C23C24C27C261.9°0.3°
C23C24C27O28179.0°180.0°
C24C27C26C250.5°0.3°
C24C27C26O28177.6°179.8°
C24C27C26O30178.7°179.8°
C24C27O28C29162.9°162.6°
C27C24C23H23177.6°179.9°
C25C26C27O30179.3°179.9°
C25C26C27O28178.2°179.9°
C25C26O30C29163.2°162.3°
C26C27O28C2914.5°17.6°
C27C26O30C2916.0°17.6°
C26C27C24H24178.1°179.7°
C27C26C25H25179.7°180.0°
O30C26C27O281.1°0.0°
C26O30C29O2824.6°27.6°
O30C26C25H250.6°0.0°
C26O30C29H29144.6°91.1°
C26O30C29H29A95.4°146.0°
C27O28C29O3023.2°27.7°
O28C27C24H241.0°0.0°
C27O28C29H29143.2°91.3°
C27O28C29H29A96.8°145.7°
O28C29O30H29120.0°118.7°
O28C29O30H29A120.0°118.3°
O28C29H29H29A122.1°122.9°
O30C29H29H29A122.1°122.7°
H2C2N3HN3108.8°20.2°
H2AC2N3HN311.2°98.1°
HN5N5C8H869.2°54.1°
HN5N5C8H8A50.8°65.9°
HN5N5C9H958.3°65.8°
HN5N5C9H9A61.7°54.1°
H6C6C9H9175.9°179.1°
H6C6C9H9A55.9°59.0°
H6AC6C9H955.9°59.0°
H6AC6C9H9A64.1°61.1°
H7C7C8H874.7°61.0°
H7C7C8H8A45.3°58.9°
H7AC7C8H845.3°59.2°
H7AC7C8H8A165.3°179.1°
H17C17C18H180.3°0.0°
H23C23C24H242.4°0.1°

223532

PDB entries from 2024-08-07

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