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A1CIO

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C02O01doub1.22Å1.18Å
C04N03sing1.46Å1.45Å
C05C04sing1.51Å1.53Å
N06C05doub1.30Å1.34ÅAromatic
C07N06sing1.35Å1.32ÅAromatic
C09C08doub1.39Å1.38ÅAromatic
C10C09sing1.38Å1.39ÅAromatic
C11C10doub1.38Å1.39ÅAromatic
BR12C11sing1.89Å1.94Å
C13C11sing1.38Å1.38ÅAromatic
C14C13doub1.38Å1.39ÅAromatic
C08C07sing1.48Å1.53Å
C15C07doub1.36Å1.36ÅAromatic
N16C15sing1.37Å1.31ÅAromatic
N03C02sing1.35Å1.46Å
N17C02sing1.35Å1.45Å
C18N17sing1.39Å1.46Å
N19C18doub1.29Å1.38ÅAromatic
C20N19sing1.35Å1.45ÅAromatic
C21C20doub1.41Å1.42ÅAromatic
C22C21sing1.37Å1.39ÅAromatic
C23C22doub1.39Å1.40ÅAromatic
F25C24sing1.40Å1.36Å
F26C24sing1.40Å1.37Å
F27C24sing1.40Å1.37Å
C24C23sing1.51Å1.53Å
C28C23sing1.38Å1.39ÅAromatic
C29C28doub1.39Å1.40ÅAromatic
S30C29sing1.76Å1.65ÅAromatic
C05N16sing1.35Å1.34ÅAromatic
C08C14sing1.39Å1.39ÅAromatic
C18S30sing1.76Å1.68ÅAromatic
C20C29sing1.40Å1.38ÅAromatic
C10H101sing1.08Å1.08Å
C13H131sing1.08Å1.08Å
C15H151sing1.08Å1.08Å
C21H211sing1.08Å1.08Å
C22H221sing1.08Å1.08Å
C28H281sing1.08Å1.08Å
C04H041sing1.09Å1.10Å
C04H042sing1.09Å1.10Å
C09H091sing1.08Å1.08Å
C14H141sing1.08Å1.08Å
N03H031sing0.97Å1.00Å
N16H161sing0.97Å1.00Å
N17H171sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O01C02N03121.6°120.0°
O01C02N17122.1°120.0°
N03C04C05105.9°109.5°
C04N03C02122.6°120.0°
N03C04H041110.3°109.4°
N03C04H042110.4°109.5°
C04N03H031118.7°120.0°
C04C05N06123.2°125.5°
C04C05N16128.7°125.5°
C05C04H041110.3°109.5°
C05C04H042110.3°109.5°
C05N06C07108.1°109.2°
N06C05N16108.1°109.1°
N06C07C08124.2°126.2°
N06C07C15107.8°107.7°
C08C09C10119.8°119.9°
C09C08C07121.0°120.1°
C09C08C14120.0°119.8°
C08C09H091120.1°120.1°
C09C10C11120.1°120.1°
C09C10H101120.0°119.9°
C10C09H091120.1°120.1°
C10C11BR12120.4°119.9°
C10C11C13120.0°120.2°
C11C10H101119.9°120.0°
BR12C11C13119.6°119.9°
C11C13C14119.8°120.1°
C11C13H131120.1°119.9°
C13C14C08120.2°119.9°
C14C13H131120.1°120.0°
C13C14H141119.9°120.0°
C08C07C15127.9°126.1°
C07C08C14119.0°120.1°
C07C15N16107.8°106.7°
C07C15H151126.1°126.7°
C15N16C05108.2°107.4°
N16C15H151126.1°126.6°
C15N16H161125.9°126.3°
N03C02N17116.3°120.0°
C02N03H031118.7°120.0°
C02N17C18127.5°120.0°
C02N17H171116.3°120.0°
N17C18N19129.0°124.8°
N17C18S30121.2°124.8°
C18N17H171116.3°120.0°
C18N19C20109.7°117.9°
N19C18S30109.7°110.4°
N19C20C21125.4°128.7°
N19C20C29115.3°112.9°
C20C21C22120.3°120.4°
C21C20C29119.3°118.4°
C20C21H211119.8°119.8°
C21C22C23119.7°120.6°
C22C21H211119.9°119.7°
C21C22H221120.1°119.7°
C22C23C24121.7°120.0°
C22C23C28120.0°120.0°
C23C22H221120.2°119.7°
F25C24F26109.0°109.5°
F25C24F27109.9°109.5°
F25C24C23109.4°109.4°
F26C24F27109.3°109.5°
F26C24C23109.3°109.5°
F27C24C23110.0°109.4°
C24C23C28118.3°120.0°
C23C28C29120.3°120.2°
C23C28H281119.8°119.9°
C28C29S30132.2°131.2°
C28C29C20120.4°120.4°
C29C28H281119.9°119.9°
C29S30C1897.7°90.5°
S30C29C20107.5°108.4°
C05N16H161125.9°126.3°
C08C14H141119.9°120.0°
H041C04H042109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O01C02N03C040.5°0.1°
O01C02N03N17179.8°180.0°
O01C02N17C180.5°0.0°
O01C02N03H031179.5°180.0°
O01C02N17H171179.5°179.9°
N03C04C05H041119.4°120.0°
N03C04C05H042119.4°120.1°
N03C04C05N060.7°85.4°
C04N03C02H031180.0°179.9°
C04N03C02N17179.3°180.0°
N03C04C05N16179.7°95.0°
N03C04H041H042121.7°120.0°
C04C05N06N16179.7°179.6°
C04C05N06C07179.7°179.9°
C04C05N16C15179.7°180.0°
C05C04N03C02103.6°180.0°
C05C04H041H042121.6°120.0°
C05C04N03H03176.4°0.1°
C04C05N16H1610.3°0.3°
C05N06C07C08179.8°180.0°
C05N06C07C150.1°0.0°
N06C05N16C150.0°0.4°
N06C05C04H041120.1°34.5°
N06C05C04H042118.8°154.5°
N06C05N16H161180.0°179.9°
N06C07C08C09135.7°179.5°
N06C07C08C15179.7°180.0°
N06C07C15N160.1°0.3°
C07N06C05N160.1°0.3°
N06C07C08C1443.7°0.0°
N06C07C15H151179.9°179.9°
C08C09C10H091180.0°180.0°
C08C09C10C110.1°0.3°
C09C08C14C130.3°0.6°
C09C08C07C14179.4°179.5°
C09C08C07C1544.6°0.5°
C08C09C10H101179.9°180.0°
C09C08C14H141179.7°179.4°
C09C10C11H101180.0°179.7°
C09C10C11BR12180.0°180.0°
C09C10C11C130.1°0.0°
C10C09C08C07179.7°180.0°
C10C09C08C140.3°0.5°
C10C11BR12C13180.0°180.0°
C10C11C13C140.0°0.0°
C10C11C13H131180.0°179.9°
C11C10C09H091179.9°179.7°
BR12C11C13C14180.0°180.0°
BR12C11C10H1010.1°0.3°
BR12C11C13H1310.0°0.0°
C11C13C14H131180.0°179.9°
C11C13C14C080.2°0.3°
C13C11C10H101179.9°179.7°
C11C13C14H141179.8°179.7°
C13C14C08C07179.7°180.0°
C13C14C08H141180.0°180.0°
C08C07C15N16179.8°179.8°
C08C07C15H1510.2°0.1°
C07C08C09H0910.3°0.0°
C07C08C14H1410.3°0.1°
C07C15N16H151180.0°179.7°
C07C15N16C050.0°0.4°
C15C07C08C14136.0°180.0°
C07C15N16H161179.9°179.9°
C15N16C05H161180.0°179.6°
N03C02N17C18179.6°179.9°
C02N03C04H041136.9°60.0°
C02N03C04H04215.8°59.9°
N03C02N17H1710.4°0.0°
C02N17C18H171180.0°179.9°
C02N17C18N1924.6°0.1°
C02N17C18S30156.4°180.0°
N17C02N03H0310.7°0.0°
N17C18N19S30179.1°179.9°
N17C18N19C20178.9°180.0°
N17C18S30C29179.1°180.0°
C18N19C20C21179.8°179.8°
N19C18S30C290.0°0.0°
C18N19C20C290.3°0.1°
N19C18N17H171155.4°180.0°
N19C20C21C29179.5°179.7°
N19C20C21C22179.6°179.9°
N19C20C29C28179.7°179.7°
N19C20C29S300.3°0.0°
C20N19C18S300.2°0.1°
N19C20C21H2110.4°0.0°
C20C21C22H211180.0°179.9°
C20C21C22C230.2°0.1°
C21C20C29C280.1°0.6°
C21C20C29S30179.8°179.8°
C20C21C22H221179.8°180.0°
C21C22C23H221180.0°179.9°
C21C22C23C24179.9°180.0°
C21C22C23C280.2°0.1°
C22C21C20C290.2°0.2°
C22C23C24F2571.3°90.1°
C22C23C24F26169.5°29.9°
C22C23C24F2749.5°149.9°
C22C23C24C28179.7°179.9°
C22C23C28C290.2°0.2°
C23C22C21H211179.8°179.9°
C22C23C28H281179.8°180.0°
F25C24F26F27120.1°120.0°
F25C24F26C23119.5°120.0°
F25C24F27C23120.5°119.9°
F25C24C23C28108.4°90.0°
F26C24F27C23120.0°120.1°
F26C24C23C2810.8°150.0°
F27C24C23C28130.8°29.9°
C24C23C28C29179.9°179.7°
C24C23C22H2210.1°0.1°
C24C23C28H2810.1°0.1°
C23C28C29H281180.0°179.7°
C23C28C29S30179.8°179.8°
C23C28C29C200.1°0.6°
C28C23C22H221179.8°180.0°
C28C29S30C20179.9°179.6°
C28C29S30C18179.8°179.6°
S30C29C28H2810.2°0.1°
C05N16C15H151180.0°179.9°
N16C05C04H04160.3°145.0°
N16C05C04H04260.8°25.1°
C08C14C13H131179.8°179.8°
C14C08C09H091179.7°179.5°
C18S30C29C200.1°0.0°
S30C18N17H17123.6°0.1°
C29C20C21H211179.9°179.7°
C20C29C28H281179.8°179.7°
H101C10C09H0910.1°0.0°
H131C13C14H1410.2°0.3°
H151C15N16H1610.1°0.2°
H211C21C22H2210.2°0.1°
H041C04N03H03143.0°120.0°
H042C04N03H031164.2°120.0°

250835

PDB entries from 2026-03-18

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