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A1IX2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.51Å1.50Å
C1N2sing1.35Å1.33Å
C1O1doub1.21Å1.22Å
N1C6sing1.47Å1.46Å
N1C11sing1.47Å1.48Å
N1C5sing1.40Å1.40Å
C2O2sing1.43Å1.42Å
N2C15sing1.47Å1.46Å
O2C3sing1.36Å1.35Å
C3C4doub1.39Å1.39ÅAromatic
C3C14sing1.39Å1.40ÅAromatic
O3C9doub1.21Å1.19Å
C4C5sing1.39Å1.39ÅAromatic
O4C9sing1.34Å1.26Å
C5C12doub1.39Å1.40ÅAromatic
C6C7sing1.53Å1.52Å
C7C8sing1.53Å1.50Å
C8C9sing1.51Å1.52Å
C8C10sing1.53Å1.52Å
C10C11sing1.53Å1.49Å
C12C13sing1.38Å1.37ÅAromatic
C13C14doub1.38Å1.36ÅAromatic
C15C16sing1.53Å1.52Å
C15C20sing1.53Å1.52Å
C16C17sing1.53Å1.53Å
C17C18sing1.53Å1.50Å
C18C19sing1.53Å1.51Å
C19C20sing1.53Å1.54Å
C2H21sing1.09Å1.10Å
C2H22sing1.09Å1.10Å
C4HC4sing1.08Å1.08Å
C6H62sing1.09Å1.10Å
C6H61sing1.09Å1.10Å
C7H72sing1.09Å1.10Å
C7H71sing1.09Å1.10Å
C8HC8sing1.09Å1.10Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C12HC12sing1.08Å1.08Å
C13HC13sing1.08Å1.08Å
C14HC14sing1.08Å1.08Å
C15HC15sing1.09Å1.10Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C17H171sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C19H191sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C20H201sing1.09Å1.10Å
N2HN2sing0.97Å1.00Å
O4H1sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1N2115.7°120.0°
C2C1O1120.1°120.0°
C1C2O2111.9°109.5°
C1C2H21108.9°109.5°
C1C2H22108.9°109.5°
N2C1O1124.2°120.0°
C1N2C15125.1°120.0°
C1N2HN2117.4°120.0°
C6N1C11111.7°111.2°
C6N1C5115.4°111.1°
N1C6C7113.9°109.5°
N1C6H62108.3°109.4°
N1C6H61108.4°109.4°
C11N1C5114.6°111.0°
N1C11C10113.0°109.5°
N1C11H111108.6°109.5°
N1C11H112108.6°109.4°
N1C5C4121.3°120.1°
N1C5C12119.4°120.0°
C2O2C3116.9°117.0°
O2C2H21108.8°109.4°
O2C2H22108.8°109.4°
N2C15C16110.5°109.5°
N2C15C20112.4°109.5°
N2C15HC15107.9°109.5°
C15N2HN2117.4°120.0°
O2C3C4126.7°120.1°
O2C3C14113.3°120.0°
C4C3C14120.0°119.9°
C3C4C5120.2°119.9°
C3C4HC4119.9°120.0°
C3C14C13118.9°120.1°
C3C14HC14120.5°119.9°
O3C9O4125.1°120.0°
O3C9C8115.2°120.0°
C4C5C12119.3°119.9°
C5C4HC4119.9°120.1°
O4C9C8119.7°120.0°
C9O4H1109.5°116.9°
C5C12C13118.8°120.0°
C5C12HC12120.6°120.0°
C6C7C8112.0°109.3°
C7C6H62108.4°109.5°
C7C6H61108.4°109.5°
C6C7H72108.8°109.5°
C6C7H71108.9°109.5°
C7C8C9112.6°109.6°
C7C8C10110.4°109.1°
C8C7H72108.8°109.5°
C8C7H71108.8°109.5°
C7C8HC8108.3°109.5°
C9C8C10109.2°109.5°
C9C8HC8108.1°109.6°
C8C10C11110.9°109.3°
C10C8HC8108.1°109.5°
C8C10H101109.1°109.5°
C8C10H102109.1°109.5°
C11C10H101109.1°109.6°
C11C10H102109.1°109.4°
C10C11H111108.6°109.5°
C10C11H112108.6°109.4°
C12C13C14122.8°120.1°
C13C12HC12120.6°119.9°
C12C13HC13118.6°120.0°
C14C13HC13118.6°119.9°
C13C14HC14120.6°119.9°
C16C15C20111.3°109.5°
C15C16C17110.2°109.4°
C16C15HC15107.3°109.5°
C15C16H161109.3°109.5°
C15C16H162109.3°109.4°
C15C20C19109.7°109.4°
C20C15HC15107.2°109.5°
C15C20H202109.4°109.5°
C15C20H201109.4°109.4°
C16C17C18110.4°109.5°
C17C16H161109.3°109.5°
C17C16H162109.3°109.5°
C16C17H171109.2°109.5°
C16C17H172109.2°109.5°
C17C18C19112.3°109.4°
C18C17H171109.2°109.4°
C18C17H172109.2°109.5°
C17C18H181108.8°109.5°
C17C18H182108.8°109.5°
C18C19C20112.1°109.5°
C19C18H181108.7°109.4°
C19C18H182108.7°109.5°
C18C19H192108.8°109.5°
C18C19H191108.8°109.4°
C20C19H192108.8°109.4°
C20C19H191108.8°109.5°
C19C20H202109.4°109.5°
C19C20H201109.4°109.4°
H21C2H22109.5°109.5°
H62C6H61109.5°109.4°
H72C7H71109.5°109.5°
H101C10H102109.4°109.5°
H111C11H112109.5°109.4°
H161C16H162109.5°109.5°
H171C17H172109.5°109.4°
H181C18H182109.5°109.5°
H192C19H191109.5°109.5°
H202C20H201109.5°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1N2O1179.7°179.8°
C1C2O2H21120.4°120.1°
C1C2O2H22120.4°120.0°
C2C1N2C15179.2°180.0°
C1C2O2C376.9°180.0°
C1C2H21H22118.9°120.1°
C2C1N2HN20.8°0.0°
N2C1C2O2143.0°180.0°
C1N2C15HN2180.0°180.0°
C1N2C15C1677.8°155.0°
C1N2C15C20157.1°85.0°
N2C1C2H2122.7°60.0°
N2C1C2H2296.6°60.1°
C1N2C15HC1539.2°35.1°
O1C1C2O236.7°0.2°
O1C1N2C150.5°0.2°
O1C1C2H21157.0°120.3°
O1C1C2H2283.7°119.7°
O1C1N2HN2179.5°179.8°
C6N1C11C5133.5°124.2°
C6N1C5C488.3°180.0°
C6N1C5C1292.4°0.0°
N1C6C7H62120.6°120.0°
N1C6C7H61120.7°120.0°
N1C6C7C851.1°59.2°
C6N1C11C1053.9°61.7°
N1C6H62H61118.0°119.9°
N1C6C7H72171.4°179.1°
N1C6C7H7169.3°60.8°
C6N1C11H111174.5°178.2°
C6N1C11H11266.6°58.3°
C11N1C5C4140.0°55.7°
C11N1C5C1239.4°124.2°
C11N1C6C750.8°61.7°
N1C11C10C856.4°59.1°
N1C11C10H111120.5°120.1°
N1C11C10H112120.5°120.0°
C11N1C6H6269.9°178.2°
C11N1C6H61171.5°58.3°
N1C11C10H101176.6°179.1°
N1C11C10H10263.9°60.8°
N1C11H111H112118.4°120.0°
N1C5C4C3179.8°180.0°
N1C5C4C12179.3°179.9°
C5N1C6C7176.1°174.2°
C5N1C11C10172.5°174.1°
N1C5C12C13179.3°180.0°
N1C5C4HC40.2°0.1°
C5N1C6H6263.3°54.1°
C5N1C6H6155.4°65.8°
C5N1C11H11152.0°54.1°
C5N1C11H11266.9°65.9°
N1C5C12HC120.8°0.1°
C2O2C3C40.8°180.0°
C2O2C3C14179.6°0.2°
O2C2H21H22118.9°119.9°
N2C15C16C20125.6°120.0°
N2C15C16HC15117.4°120.0°
N2C15C20HC15118.4°120.0°
N2C15C16C17175.5°180.0°
N2C15C20C19179.0°180.0°
N2C15C16H16164.4°60.0°
N2C15C16H16255.4°60.0°
N2C15C20H20259.0°60.0°
N2C15C20H20160.9°60.1°
O2C3C4C14178.6°179.8°
O2C3C4C5178.4°179.8°
O2C3C14C13178.8°179.8°
C3O2C2H2143.5°59.9°
C3O2C2H22162.7°60.0°
O2C3C4HC41.6°0.3°
O2C3C14HC141.2°0.2°
C3C4C5HC4180.0°179.9°
C3C4C5C120.4°0.0°
C4C3C14C130.0°0.0°
C4C3C14HC14180.0°180.0°
C14C3C4C50.3°0.0°
C3C14C13C121.0°0.0°
C3C14C13HC14180.0°179.9°
C14C3C4HC4179.8°179.9°
C3C14C13HC13179.0°180.0°
O3C9O4C8179.0°179.9°
O3C9C8C7164.0°0.1°
O3C9C8C1073.1°119.7°
O3C9C8HC844.3°120.1°
O3C9O4H10.0°0.0°
C4C5C12C131.4°0.1°
C4C5C12HC12178.6°180.0°
O4C9C8C717.0°180.0°
O4C9C8C10106.0°60.3°
O4C9C8HC8136.6°59.8°
C5C12C13HC12180.0°179.9°
C5C12C13C141.7°0.1°
C12C5C4HC4179.5°180.0°
C5C12C13HC13178.3°180.0°
C6C7C8H72120.4°119.9°
C6C7C8H71120.4°120.0°
C6C7C8C9174.3°177.5°
C6C7C8C1052.0°57.7°
C7C6H62H61118.0°120.0°
C6C7H72H71118.9°120.1°
C6C7C8HC866.2°62.3°
C7C8C9C10122.9°119.7°
C7C8C9HC8119.7°120.2°
C7C8C10HC8118.4°119.9°
C7C8C10C1155.0°57.6°
C8C7C6H6269.6°179.3°
C8C7C6H61171.7°60.8°
C8C7H72H71118.8°120.1°
C7C8C10H101175.2°177.6°
C7C8C10H10265.3°62.3°
C9C8C10HC8117.4°120.2°
C9C8C10C11179.2°177.5°
C9C8C7H7265.4°62.6°
C9C8C7H7153.9°57.5°
C9C8C10H10160.5°62.5°
C9C8C10H10259.0°57.7°
C8C9O4H1178.9°180.0°
C8C10C11H101120.2°120.0°
C8C10C11H102120.2°119.9°
C10C8C7H72172.4°177.6°
C10C8C7H7168.4°62.3°
C8C10H101H102119.4°120.1°
C8C10C11H111176.9°179.2°
C8C10C11H11264.2°60.9°
C11C10C8HC863.4°62.3°
C11C10H101H102119.3°120.1°
C10C11H111H112118.4°119.9°
C12C13C14HC13180.0°180.0°
C12C13C14HC14179.0°179.9°
C14C13C12HC12178.3°180.0°
C16C15C20HC15117.1°120.0°
C15C16C17H161120.1°120.0°
C15C16C17H162120.1°120.0°
C15C16C17C1857.5°60.0°
C16C15C20C1956.4°60.0°
C15C16H161H162119.7°120.0°
C15C16C17H171177.6°180.0°
C15C16C17H17262.7°60.0°
C16C15C20H202176.4°180.0°
C16C15C20H20163.7°59.9°
C16C15N2HN2102.2°25.0°
C20C15C16C1758.9°60.0°
C15C20C19C1853.5°60.0°
C15C20C19H202120.0°120.0°
C15C20C19H201120.1°119.9°
C20C15C16H16161.2°60.0°
C20C15C16H162179.0°180.0°
C15C20C19H192173.9°180.0°
C15C20C19H19166.9°60.0°
C15C20H202H201119.9°120.0°
C20C15N2HN222.9°95.0°
C16C17C18H171120.2°120.0°
C16C17C18H172120.1°120.1°
C16C17C18C1955.4°60.0°
C17C16C15HC1558.1°60.0°
C17C16H161H162119.7°120.1°
C16C17H171H172119.6°120.0°
C16C17C18H18165.0°59.9°
C16C17C18H182175.8°180.0°
C17C18C19H181120.4°119.9°
C17C18C19H182120.4°120.0°
C17C18C19C2054.1°60.0°
C18C17C16H16162.6°59.9°
C18C17C16H162177.6°180.0°
C18C17H171H172119.5°120.0°
C17C18H181H182118.7°120.1°
C17C18C19H192174.5°180.0°
C17C18C19H19166.3°60.1°
C18C19C20H192120.4°120.0°
C18C19C20H191120.4°120.0°
C19C18C17H171175.5°180.0°
C19C18C17H17264.8°60.1°
C19C18H181H182118.7°120.0°
C18C19H192H191118.8°120.0°
C18C19C20H202173.5°180.0°
C18C19C20H20166.6°59.9°
C19C20C15HC1560.7°60.0°
C20C19C18H18166.4°60.0°
C20C19C18H182174.5°180.0°
C20C19H192H191118.8°120.0°
C19C20H202H201119.9°120.0°
H62C6C7H7250.8°60.8°
H62C6C7H71170.0°59.3°
H61C6C7H7267.9°59.1°
H61C6C7H7151.4°179.2°
H72C7C8HC854.1°57.7°
H71C7C8HC8173.4°177.7°
HC8C8C10H10156.8°57.7°
HC8C8C10H102176.4°177.8°
H101C10C11H11162.8°60.8°
H101C10C11H11256.1°59.1°
H102C10C11H11156.7°59.3°
H102C10C11H112175.6°179.2°
HC12C12C13HC131.7°0.0°
HC13C13C14HC141.0°0.0°
HC15C15C16H161178.2°180.0°
HC15C15C16H16262.0°60.0°
HC15C15C20H20259.4°60.0°
HC15C15C20H201179.3°179.9°
HC15C15N2HN2140.8°145.0°
H161C16C17H17157.5°60.0°
H161C16C17H172177.2°180.0°
H162C16C17H17162.3°60.0°
H162C16C17H17257.5°59.9°
H171C17C18H18155.1°60.1°
H171C17C18H18264.0°60.0°
H172C17C18H181174.8°180.0°
H172C17C18H18255.6°60.0°
H181C18C19H19254.0°60.0°
H181C18C19H191173.3°180.0°
H182C18C19H19265.1°60.0°
H182C18C19H19154.1°60.0°
H192C19C20H20266.1°60.0°
H192C19C20H20153.8°60.1°
H191C19C20H20253.1°60.0°
H191C19C20H201173.0°179.9°

250059

PDB entries from 2026-03-04

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