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A1ASY

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.52Å
C3C2sing1.53Å1.52Å
C2N1sing1.47Å1.48Å
N1C7sing1.47Å1.46Å
N1C4sing1.47Å1.46Å
C15C14doub1.34Å1.36ÅAromatic
C15C16sing1.47Å1.44ÅAromatic
C7C6sing1.53Å1.51Å
C4C5sing1.53Å1.51Å
C14N5sing1.37Å1.37ÅAromatic
C16C17doub1.40Å1.40ÅAromatic
C16C13sing1.41Å1.41ÅAromatic
C17C10sing1.38Å1.37ÅAromatic
N5C13sing1.38Å1.37ÅAromatic
C6N2sing1.47Å1.46Å
C13C12doub1.39Å1.39ÅAromatic
C5N2sing1.47Å1.46Å
C10N4sing1.40Å1.41Å
C10C11doub1.39Å1.40ÅAromatic
N2C8sing1.39Å1.39Å
N4C9sing1.38Å1.35Å
N3C9doub1.32Å1.34ÅAromatic
N3C8sing1.33Å1.34ÅAromatic
C9N6sing1.32Å1.34ÅAromatic
C8C23doub1.40Å1.43ÅAromatic
N6C18doub1.33Å1.35ÅAromatic
C23C18sing1.37Å1.40ÅAromatic
C23C22sing1.50Å1.51Å
C18C19sing1.50Å1.51Å
C22C21sing1.53Å1.51Å
C12C11sing1.38Å1.37ÅAromatic
C20C19sing1.53Å1.52Å
C20C21sing1.53Å1.50Å
C4H2sing1.09Å1.10Å
C4H3sing1.09Å1.10Å
C5H4sing1.09Å1.10Å
C5H5sing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C6H7sing1.09Å1.10Å
C7H8sing1.09Å1.10Å
C7H9sing1.09Å1.10Å
C15H10sing1.08Å1.08Å
C17H11sing1.08Å1.08Å
C20H12sing1.09Å1.10Å
C20H13sing1.09Å1.10Å
C21H14sing1.09Å1.10Å
C21H15sing1.09Å1.10Å
C22H16sing1.09Å1.10Å
C22H17sing1.09Å1.10Å
C1H18sing1.09Å1.10Å
C1H19sing1.09Å1.10Å
C1H20sing1.09Å1.10Å
C11H21sing1.08Å1.08Å
C12H22sing1.08Å1.08Å
C14H23sing1.08Å1.08Å
C19H24sing1.09Å1.10Å
C19H25sing1.09Å1.10Å
C2H26sing1.09Å1.10Å
C3H27sing1.09Å1.10Å
C3H28sing1.09Å1.10Å
C3H29sing1.09Å1.10Å
N4H30sing0.97Å1.00Å
N5H31sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2C3112.2°109.4°
C1C2N1111.6°109.5°
C2C1H18109.5°109.5°
C2C1H19109.5°109.5°
C2C1H20109.5°109.5°
C1C2H26106.8°109.5°
C3C2N1111.8°109.5°
C3C2H26106.8°109.5°
C2C3H27109.5°109.5°
C2C3H28109.5°109.4°
C2C3H29109.5°109.5°
C2N1C7110.6°111.0°
C2N1C4111.2°111.0°
N1C2H26107.3°109.5°
C7N1C4109.8°110.9°
N1C7C6111.5°109.4°
N1C7H8108.9°109.5°
N1C7H9109.0°109.5°
N1C4C5111.1°109.4°
N1C4H2109.1°109.5°
N1C4H3109.0°109.5°
C14C15C16106.7°107.0°
C15C14N5110.1°110.0°
C14C15H10126.7°126.5°
C15C14H23125.0°125.0°
C15C16C17134.2°133.9°
C15C16C13106.7°106.0°
C16C15H10126.7°126.5°
C7C6N2109.6°109.4°
C7C6H6109.4°109.6°
C7C6H7109.4°109.5°
C6C7H8109.0°109.5°
C6C7H9108.9°109.5°
C4C5N2108.6°109.4°
C5C4H2109.1°109.5°
C5C4H3109.1°109.5°
C4C5H4109.7°109.5°
C4C5H5109.7°109.5°
C14N5C13109.1°109.9°
N5C14H23124.9°125.0°
C14N5H31125.5°125.1°
C17C16C13119.1°120.0°
C16C17C10118.2°119.6°
C16C17H11120.9°120.2°
C16C13N5107.4°107.1°
C16C13C12122.0°119.5°
C17C10N4118.6°119.9°
C17C10C11122.0°120.2°
C10C17H11120.9°120.2°
N5C13C12130.7°133.4°
C13N5H31125.5°125.0°
C6N2C5110.5°110.9°
C6N2C8128.0°111.0°
N2C6H6109.4°109.5°
N2C6H7109.4°109.5°
C13C12C11117.8°120.1°
C13C12H22121.1°120.0°
C5N2C8120.8°111.0°
N2C5H4109.7°109.5°
N2C5H5109.7°109.5°
N4C10C11119.4°119.9°
C10N4C9129.5°119.9°
C10N4H30115.2°120.1°
C10C11C12121.0°120.6°
C10C11H21119.5°119.7°
N2C8N3114.3°120.4°
N2C8C23126.5°120.4°
N4C9N3117.3°119.2°
N4C9N6118.2°119.3°
C9N4H30115.2°120.0°
C9N3C8119.4°120.4°
N3C9N6124.5°121.5°
N3C8C23119.3°119.3°
C9N6C18118.1°121.3°
C8C23C18117.5°118.6°
C8C23C22124.2°118.6°
N6C18C23121.1°119.0°
N6C18C19116.1°118.4°
C18C23C22118.3°122.8°
C23C18C19122.8°122.6°
C23C22C21113.4°110.5°
C23C22H16108.5°109.3°
C23C22H17108.5°109.3°
C18C19C20113.2°110.5°
C18C19H24108.5°109.3°
C18C19H25108.6°109.3°
C22C21C20109.5°108.4°
C22C21H14109.5°109.6°
C22C21H15109.5°109.8°
C21C22H16108.5°109.4°
C21C22H17108.5°109.3°
C12C11H21119.5°119.7°
C11C12H22121.1°120.0°
C19C20C21107.5°108.5°
C19C20H12110.0°109.7°
C19C20H13110.0°109.6°
C20C19H24108.5°109.3°
C20C19H25108.5°109.3°
C21C20H12109.9°109.7°
C21C20H13110.0°109.6°
C20C21H14109.4°109.7°
C20C21H15109.4°109.7°
H2C4H3109.5°109.5°
H4C5H5109.5°109.5°
H6C6H7109.5°109.4°
H8C7H9109.5°109.5°
H12C20H13109.5°109.8°
H14C21H15109.5°109.6°
H16C22H17109.5°109.1°
H18C1H19109.5°109.5°
H18C1H20109.5°109.5°
H19C1H20109.4°109.4°
H24C19H25109.4°109.1°
H27C3H28109.5°109.4°
H27C3H29109.5°109.5°
H28C3H29109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2C3N1126.2°120.0°
C1C2C3H26116.7°120.0°
C1C2N1H26116.7°120.0°
C1C2N1C744.5°55.1°
C1C2N1C477.7°178.8°
C2C1H18H19120.0°120.0°
C2C1H18H20120.0°120.0°
C2C1H19H20120.0°120.0°
C1C2C3H27180.0°55.4°
C1C2C3H2860.0°175.3°
C1C2C3H2960.0°64.7°
C3C2N1H26116.8°120.0°
C3C2N1C7171.1°175.0°
C3C2N1C448.8°61.2°
C3C2C1H18180.0°60.0°
C3C2C1H1960.0°60.0°
C3C2C1H2060.0°180.0°
C2C3H27H28120.0°119.9°
C2C3H27H29120.0°120.1°
C2C3H28H29120.0°120.0°
C2N1C7C4123.1°123.8°
C2N1C7C6178.7°64.5°
C2N1C4C5179.9°64.6°
C2N1C4H259.6°55.4°
C2N1C4H359.9°175.5°
C2N1C7H861.0°175.5°
C2N1C7H958.4°55.4°
N1C2C1H1853.6°60.0°
N1C2C1H19173.6°180.0°
N1C2C1H2066.4°60.0°
N1C2C3H2753.8°64.6°
N1C2C3H2866.3°55.3°
N1C2C3H29173.8°175.3°
N1C7C6H8120.3°120.0°
N1C7C6H9120.3°120.0°
C7N1C4C557.1°59.3°
N1C7C6N256.8°58.4°
C7N1C4H263.1°179.3°
C7N1C4H3177.4°60.7°
N1C7C6H663.2°178.4°
N1C7C6H7176.8°61.6°
N1C7H8H9119.1°120.1°
C7N1C2H2672.2°64.9°
C4N1C7C655.6°59.3°
N1C4C5H2120.3°120.0°
N1C4C5H3120.2°120.0°
N1C4C5N259.5°58.4°
N1C4H2H3119.2°120.1°
N1C4C5H4179.4°61.6°
N1C4C5H560.3°178.4°
C4N1C7H8176.0°60.7°
C4N1C7H964.7°179.3°
C4N1C2H26165.6°58.9°
C14C15C16H10180.0°179.9°
C15C14N5H23180.0°180.0°
C14C15C16C17179.9°180.0°
C14C15C16C130.0°0.0°
C15C14N5C130.1°0.1°
C15C14N5H31179.9°180.0°
C16C15C14N50.0°0.0°
C15C16C17C13179.9°180.0°
C15C16C17C10179.6°180.0°
C15C16C13N50.1°0.0°
C15C16C13C12180.0°179.8°
C15C16C17H110.4°0.0°
C16C15C14H23180.0°179.9°
C7C6N2H6120.0°120.0°
C7C6N2H7120.0°120.0°
C7C6N2C559.3°59.3°
C7C6N2C8111.0°176.9°
C7C6H6H7119.9°120.1°
C6C7H8H9119.1°120.0°
C4C5N2C660.5°59.3°
C4C5N2H4119.8°120.0°
C4C5N2H5119.9°120.0°
C4C5N2C8110.6°176.8°
C5C4H2H3119.3°120.0°
C4C5H4H5120.4°120.1°
C14N5C13C160.1°0.1°
C14N5C13H31180.0°180.0°
C14N5C13C12180.0°179.7°
N5C14C15H10180.0°179.9°
C16C17C10H11180.0°180.0°
C17C16C13N5179.9°180.0°
C17C16C13C120.1°0.2°
C16C17C10N4179.3°179.9°
C16C17C10C111.2°0.3°
C17C16C15H100.1°0.1°
C13C16C17C100.5°0.0°
C16C13N5C12180.0°179.8°
C16C13C12C110.2°0.2°
C13C16C15H10180.0°179.9°
C13C16C17H11179.5°180.0°
C16C13C12H22179.8°180.0°
C16C13N5H31179.9°179.9°
C17C10N4C11178.2°179.7°
C17C10N4C9136.0°35.0°
C17C10C11C121.3°0.3°
C17C10C11H21178.7°179.7°
C17C10N4H3044.0°145.1°
N5C13C12C11179.7°180.0°
N5C13C12H220.3°0.2°
C13N5C14H23180.0°179.9°
C6N2C5C8171.1°123.9°
C6N2C8N3158.5°68.7°
C6N2C8C2321.4°111.3°
C6N2C5H4179.7°60.7°
C6N2C5H559.4°179.3°
N2C6H6H7120.0°120.0°
N2C6C7H8177.1°61.6°
N2C6C7H963.6°178.4°
C13C12C11C100.8°0.0°
C13C12C11H22180.0°179.8°
C13C12C11H21179.2°179.9°
C12C13N5H310.0°0.3°
C5N2C8N310.9°55.1°
C5N2C8C23169.2°124.9°
N2C5C4H260.7°178.4°
N2C5C4H3179.8°61.6°
N2C5H4H5120.4°120.0°
C5N2C6H660.7°179.4°
C5N2C6H7179.3°60.7°
C10N4C9H30180.0°179.9°
C10N4C9N315.6°174.3°
C10N4C9N6164.1°5.6°
N4C10C11C12179.4°180.0°
N4C10C17H110.7°0.1°
N4C10C11H210.6°0.0°
C11C10N4C942.1°145.4°
C10C11C12H21180.0°180.0°
C11C10C17H11178.9°179.7°
C10C11C12H22179.2°179.8°
C11C10N4H30137.8°34.6°
N2C8N3C9178.9°180.0°
N2C8N3C23179.9°180.0°
N2C8C23C18178.4°179.8°
N2C8C23C220.5°0.6°
C8N2C5H49.2°63.2°
C8N2C5H5129.5°56.8°
C8N2C6H6129.0°56.8°
C8N2C6H79.0°63.1°
N4C9N3N6179.7°179.9°
N4C9N3C8179.7°179.9°
N4C9N6C18179.6°180.0°
C9N3C8C231.0°0.0°
N3C9N6C180.7°0.0°
N3C9N4H30164.4°5.7°
C8N3C9N60.6°0.2°
N3C8C23C181.4°0.2°
N3C8C23C22179.7°179.5°
C9N6C18C231.1°0.2°
C9N6C18C19179.9°179.8°
N6C9N4H3015.9°174.3°
C8C23C18N61.5°0.3°
C8C23C18C22179.0°179.7°
C8C23C18C19179.9°179.6°
C8C23C22C21162.3°162.7°
C8C23C22H1641.7°42.4°
C8C23C22H1777.1°77.0°
N6C18C23C19178.7°180.0°
N6C18C23C22179.5°179.4°
N6C18C19C20164.7°162.3°
N6C18C19H2444.1°42.0°
N6C18C19H2574.7°77.4°
C18C23C22C2118.7°17.6°
C23C18C19C2016.6°17.7°
C18C23C22H16139.3°137.9°
C18C23C22H17101.8°102.7°
C23C18C19H24137.1°138.0°
C23C18C19H25104.0°102.6°
C22C23C18C190.9°0.7°
C23C22C21H16120.6°120.3°
C23C22C21H17120.6°120.3°
C23C22C21C2052.7°50.8°
C23C22C21H1467.2°68.9°
C23C22C21H15172.7°170.6°
C23C22H16H17118.2°119.4°
C18C19C20H24120.6°120.3°
C18C19C20H25120.6°120.3°
C18C19C20C2148.9°51.0°
C18C19C20H1270.7°68.8°
C18C19C20H13168.6°170.6°
C18C19H24H25118.3°119.5°
C22C21C20C1967.7°69.7°
C22C21C20H14120.0°119.7°
C22C21C20H15120.0°119.9°
C22C21C20H1252.0°50.1°
C22C21C20H13172.6°170.7°
C22C21H14H15120.0°120.5°
C21C22H16H17118.2°119.6°
C19C20C21H12119.7°119.8°
C19C20C21H13119.7°119.7°
C19C20H12H13120.9°120.5°
C19C20C21H1452.3°50.0°
C19C20C21H15172.3°170.5°
C20C19H24H25118.3°119.5°
C21C20H12H13120.9°120.4°
C20C21H14H15120.0°120.5°
C20C21C22H16173.3°171.1°
C20C21C22H1767.8°69.5°
C21C20C19H24169.5°171.3°
C21C20C19H2571.6°69.3°
H2C4C5H459.1°58.4°
H2C4C5H5179.4°61.6°
H3C4C5H460.4°178.4°
H3C4C5H559.9°58.4°
H6C6C7H857.1°58.4°
H6C6C7H9176.4°61.6°
H7C6C7H862.9°178.4°
H7C6C7H956.4°58.4°
H10C15C14H230.0°0.1°
H12C20C21H14172.0°169.8°
H12C20C21H1568.0°69.8°
H12C20C19H2449.8°51.6°
H12C20C19H25168.7°170.9°
H13C20C21H1467.4°69.7°
H13C20C21H1552.6°50.8°
H13C20C19H2470.8°69.0°
H13C20C19H2548.1°50.3°
H14C21C22H1653.4°51.4°
H14C21C22H17172.2°170.8°
H15C21C22H1666.7°69.1°
H15C21C22H1752.1°50.4°
H18C1H19H20120.0°120.0°
H18C1C2H2663.3°180.0°
H19C1C2H2656.7°60.0°
H20C1C2H26176.7°60.0°
H21C11C12H220.8°0.3°
H23C14N5H310.0°0.1°
H26C2C3H2763.3°175.4°
H26C2C3H28176.7°64.7°
H26C2C3H2956.7°55.3°
H27C3H28H29120.0°120.0°

246704

PDB entries from 2025-12-24

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