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909

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C12C11sing1.53Å1.53Å
C12N7sing1.47Å1.45Å
C11N10sing1.47Å1.47Å
C22C20sing1.51Å1.50Å
N10C13sing1.47Å1.47Å
N10C9sing1.47Å1.47Å
N7C5sing1.40Å1.40Å
N7C8sing1.47Å1.45Å
C4C5doub1.39Å1.39ÅAromatic
C4C3sing1.39Å1.39ÅAromatic
N14C3sing1.38Å1.34ÅAromatic
N14C15sing1.37Å1.34ÅAromatic
N21C20sing1.34Å1.35ÅAromatic
N21C17sing1.38Å1.33ÅAromatic
C20C19doub1.38Å1.50ÅAromatic
C5C6sing1.39Å1.39ÅAromatic
C3C2doub1.41Å1.48ÅAromatic
C8C9sing1.53Å1.52Å
C17C15sing1.47Å1.48Å
C17C18doub1.38Å1.48ÅAromatic
C15N16doub1.31Å1.33ÅAromatic
C19C23sing1.46Å1.50Å
C19C18sing1.47Å1.49ÅAromatic
C6C1doub1.36Å1.39ÅAromatic
O35C23doub1.21Å1.22Å
C2N16sing1.36Å1.35ÅAromatic
C2C1sing1.40Å1.38ÅAromatic
C23C24sing1.51Å1.50Å
C18C25sing1.48Å1.50Å
C26C25doub1.40Å1.39ÅAromatic
C26C27sing1.38Å1.39ÅAromatic
C25C30sing1.40Å1.39ÅAromatic
C27C28doub1.39Å1.39ÅAromatic
C30C29doub1.38Å1.39ÅAromatic
C28C29sing1.39Å1.39ÅAromatic
C28N31sing1.40Å1.36Å
N31C32sing1.35Å1.33Å
C32O33doub1.21Å1.22Å
C32C34sing1.51Å1.51Å
C1H1sing1.08Å1.08Å
C11H2sing1.09Å1.10Å
C11H3sing1.09Å1.10Å
C12H4sing1.09Å1.10Å
C12H5sing1.09Å1.10Å
C13H6sing1.09Å1.10Å
C13H7sing1.09Å1.10Å
C13H8sing1.09Å1.10Å
C22H9sing1.09Å1.10Å
C22H10sing1.09Å1.10Å
C22H11sing1.09Å1.10Å
C24H12sing1.09Å1.10Å
C24H13sing1.09Å1.10Å
C24H14sing1.09Å1.10Å
C26H15sing1.08Å1.08Å
C27H16sing1.08Å1.08Å
C29H17sing1.08Å1.08Å
C30H18sing1.08Å1.08Å
C34H19sing1.09Å1.10Å
C34H20sing1.09Å1.10Å
C34H21sing1.09Å1.10Å
C4H22sing1.08Å1.08Å
C6H23sing1.08Å1.08Å
C8H24sing1.09Å1.10Å
C8H25sing1.09Å1.10Å
C9H26sing1.09Å1.10Å
C9H27sing1.09Å1.10Å
N14H29sing0.97Å1.00Å
N21H31sing0.97Å1.00Å
N31H32sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C11C12N7102.2°109.4°
C12C11N10110.8°109.3°
C12C11H2109.2°109.5°
C12C11H3109.1°109.5°
C11C12H4111.3°109.5°
C11C12H5111.2°109.4°
C12N7C5121.0°111.0°
C12N7C8118.1°110.9°
N7C12H4111.3°109.5°
N7C12H5111.2°109.5°
C11N10C13108.7°111.0°
C11N10C9111.3°110.9°
N10C11H2109.1°109.5°
N10C11H3109.1°109.5°
C22C20N21123.2°125.4°
C22C20C19128.2°125.5°
C20C22H9109.5°109.5°
C20C22H10109.5°109.4°
C20C22H11109.5°109.4°
C13N10C9109.0°111.0°
N10C13H6109.5°109.5°
N10C13H7109.5°109.5°
N10C13H8109.5°109.5°
N10C9C8111.1°109.3°
N10C9H26109.1°109.5°
N10C9H27109.0°109.4°
C5N7C8120.8°111.0°
N7C5C4118.9°119.9°
N7C5C6120.4°119.8°
N7C8C9101.9°109.4°
N7C8H24111.3°109.5°
N7C8H25111.3°109.5°
C5C4C3120.0°119.7°
C4C5C6120.7°120.3°
C5C4H22120.0°120.1°
C4C3N14133.9°133.8°
C4C3C2119.8°119.9°
C3C4H22120.0°120.2°
C3N14C15104.8°107.2°
N14C3C2106.2°106.2°
C3N14H29127.6°126.4°
N14C15C17117.9°125.2°
N14C15N16117.2°109.6°
C15N14H29127.6°126.4°
C20N21C17108.7°110.6°
N21C20C19108.6°109.1°
C20N21H31125.7°124.7°
N21C17C15117.1°125.8°
N21C17C18116.0°108.3°
C17N21H31125.6°124.7°
C20C19C23123.9°126.9°
C20C19C18107.8°106.2°
C5C6C1120.5°120.6°
C5C6H23119.7°119.7°
C3C2N16108.4°107.3°
C3C2C1117.5°119.5°
C9C8H24111.3°109.5°
C9C8H25111.3°109.5°
C8C9H26109.0°109.6°
C8C9H27109.1°109.5°
C15C17C18126.8°125.9°
C17C15N16124.8°125.2°
C17C18C1998.8°105.8°
C17C18C25130.5°127.1°
C15N16C2103.3°109.7°
C23C19C18128.3°126.9°
C19C23O35120.4°120.0°
C19C23C24119.4°120.0°
C19C18C25130.6°127.1°
C6C1C2121.4°120.0°
C6C1H1119.3°120.1°
C1C6H23119.7°119.7°
O35C23C24120.1°120.0°
N16C2C1134.0°133.2°
C2C1H1119.3°119.9°
C23C24H12109.5°109.5°
C23C24H13109.5°109.5°
C23C24H14109.5°109.5°
C18C25C26121.0°120.1°
C18C25C30119.5°120.1°
C25C26C27119.9°119.9°
C26C25C30119.5°119.9°
C25C26H15120.0°120.0°
C26C27C28120.8°120.1°
C27C26H15120.1°120.0°
C26C27H16119.6°120.0°
C25C30C29120.4°119.9°
C25C30H18119.8°120.1°
C27C28C29119.3°120.1°
C27C28N31118.6°119.9°
C28C27H16119.6°119.9°
C30C29C28120.2°120.1°
C30C29H17119.9°120.0°
C29C30H18119.8°120.0°
C29C28N31122.2°119.9°
C28C29H17119.9°119.9°
C28N31C32126.3°120.0°
C28N31H32116.8°120.0°
N31C32O33124.3°120.1°
N31C32C34113.9°120.0°
C32N31H32116.8°120.0°
O33C32C34121.7°120.0°
C32C34H19109.5°109.5°
C32C34H20109.5°109.5°
C32C34H21109.5°109.5°
H2C11H3109.5°109.5°
H4C12H5109.5°109.5°
H6C13H7109.5°109.5°
H6C13H8109.5°109.4°
H7C13H8109.5°109.5°
H9C22H10109.5°109.5°
H9C22H11109.5°109.5°
H10C22H11109.5°109.5°
H12C24H13109.4°109.4°
H12C24H14109.5°109.4°
H13C24H14109.5°109.5°
H19C34H20109.4°109.4°
H19C34H21109.5°109.4°
H20C34H21109.5°109.5°
H24C8H25109.5°109.4°
H26C9H27109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C11C12N7H4118.9°120.0°
C11C12N7H5118.8°119.9°
C12C11N10H2120.2°119.9°
C12C11N10H3120.2°120.0°
C12C11N10C13178.2°64.6°
C12C11N10C958.2°59.3°
C11C12N7C5110.2°176.8°
C11C12N7C867.0°59.3°
C12C11H2H3119.4°120.1°
C11C12H4H5123.4°120.0°
N7C12C11N1056.9°58.4°
C12N7C5C8177.1°123.8°
C12N7C5C426.2°179.9°
C12N7C5C6155.1°0.2°
C12N7C8C966.8°59.3°
N7C12C11H2177.1°61.6°
N7C12C11H363.3°178.3°
N7C12H4H5123.4°120.1°
C12N7C8H24174.5°179.3°
C12N7C8H2552.0°60.7°
C11N10C13C9121.4°123.9°
C11N10C9C858.4°59.3°
N10C11H2H3119.4°120.1°
N10C11C12H4175.8°61.6°
N10C11C12H561.9°178.4°
C11N10C13H6180.0°60.0°
C11N10C13H760.0°180.0°
C11N10C13H860.0°59.9°
C11N10C9H26178.7°179.3°
C11N10C9H2761.9°60.6°
C22C20N21C19179.9°179.7°
C22C20N21C17179.2°179.9°
C22C20C19C230.7°0.1°
C22C20C19C18179.9°180.0°
C20C22H9H10120.0°120.0°
C20C22H9H11120.0°120.0°
C20C22H10H11120.0°119.9°
C22C20N21H310.8°0.3°
C13N10C9C8178.3°64.6°
C13N10C11H261.6°175.5°
C13N10C11H358.1°55.4°
N10C13H6H7120.0°120.1°
N10C13H6H8120.0°120.0°
N10C13H7H8120.0°120.1°
C13N10C9H2661.5°55.4°
C13N10C9H2758.0°175.4°
N10C9C8N756.9°58.4°
N10C9C8H26120.2°120.0°
N10C9C8H27120.3°119.9°
C9N10C11H2178.4°60.6°
C9N10C11H362.0°179.3°
C9N10C13H658.6°63.8°
C9N10C13H7178.6°56.2°
C9N10C13H861.4°176.2°
N10C9C8H24175.7°178.4°
N10C9C8H2561.9°61.7°
N10C9H26H27119.2°120.0°
N7C5C4C6178.7°179.7°
N7C5C4C3179.5°180.0°
C5N7C8C9110.4°176.8°
N7C5C6C1179.7°179.7°
C5N7C12H48.6°63.2°
C5N7C12H5131.0°56.9°
N7C5C4H220.5°0.2°
N7C5C6H230.3°0.2°
C5N7C8H248.3°56.8°
C5N7C8H25130.8°63.2°
C8N7C5C4151.0°56.2°
C8N7C5C627.7°124.0°
N7C8C9H24118.8°120.0°
N7C8C9H25118.8°120.0°
C8N7C12H4174.2°60.7°
C8N7C12H551.8°179.2°
N7C8H24H25123.5°120.0°
N7C8C9H26177.2°178.3°
N7C8C9H2763.3°61.5°
C5C4C3H22180.0°179.7°
C5C4C3N14179.6°179.9°
C5C4C3C20.6°0.1°
C4C5C6C11.0°0.5°
C4C5C6H23179.0°180.0°
C4C3N14C2179.8°179.9°
C4C3N14C15178.6°179.9°
C3C4C5C60.8°0.3°
C4C3C2N16179.8°179.9°
C4C3C2C10.7°0.0°
C4C3N14H291.4°0.2°
C3N14C15H29180.0°179.9°
C3N14C15C17178.1°180.0°
C3N14C15N162.2°0.0°
N14C3C2N160.0°0.0°
N14C3C2C1179.5°179.9°
N14C3C4H220.4°0.3°
N14C15C17N213.8°0.2°
C15N14C3C21.2°0.0°
N14C15C17N16175.5°179.9°
N14C15C17C18172.4°180.0°
N14C15N16C22.1°0.0°
C20N21C17H31180.0°179.6°
C20N21C17C15178.2°179.8°
C20N21C17C181.6°0.4°
N21C20C19C23179.2°179.8°
N21C20C19C180.0°0.3°
N21C20C22H989.9°93.1°
N21C20C22H10150.0°26.9°
N21C20C22H1130.1°146.8°
C17N21C20C190.9°0.4°
N21C17C15C18176.2°179.8°
N21C17C15N16179.4°179.7°
N21C17C18C191.5°0.2°
N21C17C18C25179.9°179.8°
C20C19C18C170.8°0.1°
C20C19C23C18179.0°180.0°
C20C19C23O3516.4°91.6°
C20C19C23C24161.2°88.4°
C20C19C18C25179.4°180.0°
C19C20C22H989.9°86.5°
C19C20C22H1030.1°153.4°
C19C20C22H11150.1°33.5°
C19C20N21H31179.1°180.0°
C5C6C1H23180.0°179.5°
C5C6C1C21.1°0.5°
C5C6C1H1178.8°179.7°
C6C5C4H22179.2°180.0°
C3C2N16C151.2°0.0°
C3C2C1C61.0°0.2°
C3C2N16C1179.4°179.9°
C3C2C1H1179.0°180.0°
C2C3C4H22179.4°179.8°
C2C3N14H29178.8°179.9°
C9C8H24H25123.5°120.0°
C8C9H26H27119.3°120.1°
C15C17C18C19177.7°180.0°
C17C15N16C2177.7°180.0°
C15C17C18C253.6°0.0°
C17C15N14H291.9°0.1°
C15C17N21H311.8°0.2°
C18C17C15N163.2°0.1°
C17C18C19C23179.9°180.0°
C17C18C19C25178.6°180.0°
C17C18C25C2665.6°114.7°
C17C18C25C30115.0°65.0°
C18C17N21H31178.4°180.0°
C15N16C2C1179.5°179.9°
N16C15N14H29177.8°179.9°
C19C23O35C24177.6°180.0°
C23C19C18C251.5°0.0°
C19C23C24H12177.6°94.4°
C19C23C24H1357.7°145.7°
C19C23C24H1462.4°25.6°
C18C19C23O35164.6°88.4°
C18C19C23C2417.8°91.7°
C19C18C25C26116.2°65.3°
C19C18C25C3063.2°115.0°
C6C1C2N16179.7°179.7°
C6C1C2H1180.0°179.8°
O35C23C24H120.0°85.6°
O35C23C24H13120.0°34.3°
O35C23C24H14120.0°154.4°
N16C2C1H10.3°0.1°
C2C1C6H23178.8°180.0°
C23C24H12H13120.0°120.0°
C23C24H12H14120.0°120.0°
C23C24H13H14120.0°120.1°
C18C25C26C30179.4°179.7°
C18C25C26C27179.7°180.0°
C18C25C30C29179.4°179.7°
C18C25C26H150.3°0.1°
C18C25C30H180.7°0.0°
C25C26C27H15180.0°179.9°
C25C26C27C280.2°0.0°
C26C25C30C290.0°0.6°
C25C26C27H16179.8°180.0°
C26C25C30H18180.0°179.7°
C27C26C25C300.3°0.3°
C26C27C28H16180.0°180.0°
C26C27C28C291.1°0.0°
C26C27C28N31179.2°180.0°
C25C30C29H18180.0°179.7°
C25C30C29C280.9°0.6°
C30C25C26H15179.7°179.8°
C25C30C29H17179.1°179.7°
C27C28C29C301.4°0.3°
C27C28C29N31178.1°179.9°
C27C28N31C32137.6°33.5°
C28C27C26H15179.8°179.9°
C27C28C29H17178.6°180.0°
C27C28N31H3242.4°146.5°
C30C29C28H17180.0°179.7°
C30C29C28N31179.5°179.8°
C29C28N31C3244.3°146.5°
C29C28C27H16179.0°180.0°
C28C29C30H18179.1°179.7°
C29C28N31H32135.7°33.4°
C28N31C32H32180.0°179.9°
C28N31C32O331.0°5.3°
C28N31C32C34179.2°174.7°
N31C28C27H160.8°0.1°
N31C28C29H170.5°0.0°
N31C32O33C34179.8°180.0°
N31C32C34H19179.8°180.0°
N31C32C34H2059.8°60.0°
N31C32C34H2160.2°60.0°
O33C32C34H190.0°0.0°
O33C32C34H20120.0°120.0°
O33C32C34H21120.0°120.0°
O33C32N31H32179.0°174.6°
C32C34H19H20120.0°120.0°
C32C34H19H21120.0°120.0°
C32C34H20H21120.0°120.1°
C34C32N31H320.7°5.3°
H1C1C6H231.2°0.2°
H2C11C12H464.0°178.5°
H2C11C12H558.3°58.5°
H3C11C12H455.6°58.4°
H3C11C12H5177.9°61.7°
H6C13H7H8120.0°119.9°
H9C22H10H11120.0°120.0°
H12C24H13H14120.0°119.9°
H15C26C27H160.2°0.1°
H17C29C30H180.9°0.1°
H19C34H20H21120.0°119.9°
H24C8C9H2664.1°61.6°
H24C8C9H2755.4°58.5°
H25C8C9H2658.4°58.3°
H25C8C9H27177.9°178.4°

222624

PDB entries from 2024-07-17

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