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CHI

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CL1C1sing1.74Å1.68Å
C1C2sing1.39Å1.38ÅAromatic
C1C6doub1.37Å1.47ÅAromatic
C2C3doub1.38Å1.45ÅAromatic
C2H21sing1.08Å1.10Å
C3C4sing1.39Å1.48ÅAromatic
C3H31sing1.08Å1.10Å
C4N1sing1.38Å1.33ÅAromatic
C4C5doub1.41Å1.35ÅAromatic
N1C8sing1.38Å1.31ÅAromatic
N1HN1sing0.97Å1.02Å
C5C6sing1.40Å1.42ÅAromatic
C5C7sing1.42Å1.45ÅAromatic
C6H61sing1.08Å1.10Å
C7C8doub1.36Å1.51ÅAromatic
C7H7sing1.08Å1.10Å
C8C9sing1.47Å1.49Å
C9O1doub1.22Å1.21Å
C9N2sing1.35Å1.38Å
N2C10sing1.47Å1.50Å
N2HN2sing0.97Å1.02Å
C10C11sing1.51Å1.55Å
C10C17sing1.53Å1.60Å
C10H101sing1.09Å1.12Å
C11O2doub1.21Å1.36Å
C11N3sing1.35Å1.35Å
N3C12sing1.47Å1.50Å
N3C16sing1.47Å1.51Å
C12C13sing1.53Å1.55Å
C12H121sing1.09Å1.12Å
C12H122sing1.09Å1.11Å
C13C14sing1.53Å1.56Å
C13H131sing1.09Å1.11Å
C13H132sing1.09Å1.11Å
C14O3sing1.43Å1.44Å
C14C15sing1.53Å1.54Å
C14H14sing1.09Å1.11Å
O3HO3sing0.97Å0.95Å
C15C16sing1.53Å1.56Å
C15H151sing1.09Å1.12Å
C15H152sing1.09Å1.11Å
C16H161sing1.09Å1.11Å
C16H162sing1.09Å1.12Å
C17C18sing1.51Å1.55Å
C17H171sing1.09Å1.12Å
C17H172sing1.09Å1.11Å
C18C19doub1.38Å1.43ÅAromatic
C18C23sing1.38Å1.42ÅAromatic
C19C20sing1.38Å1.41ÅAromatic
C19H191sing1.08Å1.10Å
C20C21doub1.38Å1.44ÅAromatic
C20H201sing1.08Å1.10Å
C21F1sing1.35Å1.33Å
C21C22sing1.38Å1.42ÅAromatic
C22C23doub1.38Å1.38ÅAromatic
C22H221sing1.08Å1.10Å
C23H231sing1.08Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CL1C1C2116.2°119.7°
CL1C1C6119.2°119.7°
C2C1C6124.6°120.6°
C1C2C3120.4°120.6°
C1C2H21117.3°119.7°
C1C6C5114.1°119.8°
C1C6H61124.3°120.1°
C3C2H21122.3°119.7°
C2C3C4114.4°119.8°
C2C3H31121.7°120.1°
C4C3H31123.9°120.1°
C3C4N1124.9°133.2°
C3C4C5123.4°119.5°
N1C4C5111.7°107.4°
C4N1C8111.3°108.8°
C4N1HN1124.9°125.6°
C4C5C6123.1°119.7°
C4C5C7107.2°106.9°
C8N1HN1123.8°125.6°
N1C8C7107.4°109.1°
N1C8C9129.1°125.4°
C6C5C7129.7°133.4°
C5C6H61121.6°120.1°
C5C7C8102.3°107.8°
C5C7H7127.3°126.1°
C8C7H7130.4°126.1°
C7C8C9123.4°125.5°
C8C9O1112.3°119.9°
C8C9N2124.3°120.0°
O1C9N2123.4°120.1°
C9N2C10120.2°119.9°
C9N2HN2115.7°120.0°
C10N2HN2124.1°120.0°
N2C10C11110.8°109.4°
N2C10C17111.7°109.5°
N2C10H101106.2°109.5°
C11C10C17106.9°109.4°
C11C10H101111.1°109.5°
C10C11O2117.4°120.0°
C10C11N3124.3°120.0°
C17C10H101110.2°109.5°
C10C17C18112.5°109.4°
C10C17H171111.1°109.5°
C10C17H172111.1°109.5°
O2C11N3118.3°120.0°
C11N3C12111.2°120.7°
C11N3C16108.3°120.6°
C12N3C16113.0°118.7°
N3C12C13110.4°108.8°
N3C12H121111.9°109.6°
N3C12H122111.9°109.5°
N3C16C15111.6°108.8°
N3C16H161111.4°109.6°
N3C16H162111.4°109.6°
C13C12H121111.9°109.6°
C13C12H122111.9°109.6°
C12C13C14110.1°109.3°
C12C13H131111.9°109.5°
C12C13H132111.9°109.5°
H121C12H12298.5°109.7°
C14C13H131112.0°109.5°
C14C13H132112.0°109.5°
C13C14O3112.2°109.4°
C13C14C15109.7°109.6°
C13C14H14107.3°109.5°
H131C13H13298.5°109.5°
O3C14C15109.1°109.4°
O3C14H14108.0°109.4°
C14O3HO3112.1°106.8°
C15C14H14110.5°109.5°
C14C15C16110.3°109.3°
C14C15H151111.9°109.5°
C14C15H152111.9°109.5°
C16C15H151111.9°109.5°
C16C15H152111.9°109.5°
C15C16H161111.4°109.6°
C15C16H162111.4°109.6°
H151C15H15298.6°109.5°
H161C16H16298.9°109.7°
C18C17H171111.1°109.5°
C18C17H172111.1°109.4°
C17C18C19123.9°120.0°
C17C18C23116.8°120.0°
H171C17H17299.2°109.4°
C19C18C23119.3°120.0°
C18C19C20119.7°120.0°
C18C19H191121.0°119.9°
C18C23C22121.5°120.0°
C18C23H231120.9°120.0°
C20C19H191119.2°120.1°
C19C20C21119.3°120.0°
C19C20H201119.3°120.0°
C21C20H201121.4°120.0°
C20C21F1120.6°120.0°
C20C21C22120.6°119.9°
F1C21C22118.9°120.0°
C21C22C23119.5°120.0°
C21C22H221121.7°120.1°
C23C22H221118.8°120.0°
C22C23H231117.6°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CL1C1C2C6178.7°180.0°
CL1C1C2C3178.6°180.0°
CL1C1C2H211.4°0.0°
CL1C1C6C5179.9°180.0°
CL1C1C6H610.1°0.1°
C1C2C3H21180.0°180.0°
C1C2C3C41.3°0.0°
C1C2C3H31178.7°180.0°
C2C1C6C51.4°0.0°
C2C1C6H61178.6°179.9°
C6C1C2C30.2°0.0°
C6C1C2H21179.9°180.0°
C1C6C5C41.7°0.0°
C1C6C5H61180.0°179.9°
C1C6C5C7179.0°179.8°
C2C3C4H31180.0°179.9°
C2C3C4N1179.5°179.9°
C2C3C4C51.0°0.0°
H21C2C3C4178.7°180.0°
H21C2C3H311.3°0.1°
C3C4N1C5178.6°180.0°
C3C4N1C8178.9°180.0°
C3C4N1HN11.1°0.1°
C3C4C5C60.6°0.0°
C3C4C5C7180.0°179.8°
H31C3C4N10.5°0.0°
H31C3C4C5179.0°180.0°
C4N1C8HN1180.0°180.0°
N1C4C5C6178.1°180.0°
N1C4C5C71.3°0.2°
C4N1C8C72.4°0.2°
C4N1C8C9177.0°180.0°
C5C4N1C82.5°0.0°
C5C4N1HN1177.5°180.0°
C4C5C6C7179.3°179.8°
C4C5C6H61178.3°179.9°
C4C5C7C80.1°0.3°
C4C5C7H7179.9°179.7°
N1C8C7C51.5°0.3°
N1C8C7C9179.5°179.8°
N1C8C7H7178.5°179.7°
N1C8C9O12.4°180.0°
N1C8C9N2178.4°0.0°
HN1N1C8C7177.6°179.7°
HN1N1C8C93.0°0.1°
C6C5C7C8179.5°179.9°
C6C5C7H70.5°0.1°
C7C5C6H611.0°0.4°
C5C7C8H7180.0°180.0°
C5C7C8C9178.0°179.9°
C7C8C9O1178.3°0.2°
C7C8C9N21.0°179.7°
H7C7C8C92.1°0.1°
C8C9O1N2179.2°179.9°
C8C9N2C10178.6°180.0°
C8C9N2HN21.4°0.0°
O1C9N2C102.3°0.0°
O1C9N2HN2177.7°179.9°
C9N2C10HN2180.0°180.0°
C9N2C10C1164.3°150.0°
C9N2C10C17176.7°90.1°
C9N2C10H10156.5°30.0°
N2C10C11C17121.9°119.9°
N2C10C11H101117.8°120.0°
N2C10C17H101117.8°120.1°
N2C10C11O260.2°22.0°
N2C10C11N3120.7°157.9°
N2C10C17C18178.9°65.7°
N2C10C17H17153.6°54.3°
N2C10C17H17255.8°174.3°
HN2N2C10C11115.7°30.0°
HN2N2C10C173.3°89.9°
HN2N2C10H101123.5°150.0°
C11C10C17H101120.9°120.0°
C10C11O2N3179.2°180.0°
C10C11N3C1220.6°1.5°
C10C11N3C16145.4°178.5°
C11C10C17C1859.8°174.4°
C11C10C17H171174.9°65.6°
C11C10C17H17265.5°54.4°
C17C10C11O261.7°97.9°
C17C10C11N3117.4°82.1°
C10C17C18H171125.3°120.1°
C10C17C18H172125.3°120.0°
C10C17H171H172116.9°120.0°
C10C17C18C1980.0°90.0°
C10C17C18C2399.2°90.2°
H101C10C11O2178.0°142.0°
H101C10C11N32.9°37.9°
H101C10C17C1861.1°54.4°
H101C10C17H17164.2°174.4°
H101C10C17H172173.6°65.6°
O2C11N3C12158.5°178.6°
O2C11N3C1633.7°1.4°
C11N3C12C16122.1°180.0°
C11N3C12C13178.6°126.4°
C11N3C12H12156.2°113.8°
C11N3C12H12253.2°6.6°
C11N3C16C15178.6°126.4°
C11N3C16H16153.3°113.8°
C11N3C16H16256.1°6.6°
N3C12C13H121125.3°119.8°
N3C12C13H122125.3°119.7°
N3C12H121H122117.7°120.3°
N3C12C13C1457.8°54.6°
N3C12C13H13167.4°174.6°
N3C12C13H132176.9°65.3°
C12N3C16C1554.9°53.6°
C12N3C16H16170.4°66.2°
C12N3C16H162179.8°173.4°
C16N3C12C1356.5°53.6°
C16N3C12H121178.3°66.2°
C16N3C12H12268.9°173.4°
N3C16C15C1454.5°54.6°
N3C16C15H161125.3°119.8°
N3C16C15H162125.3°119.8°
N3C16C15H15170.8°65.3°
N3C16C15H152179.7°174.6°
N3C16H161H162117.3°120.4°
C13C12H121H122117.8°120.4°
C12C13C14H131125.2°120.0°
C12C13C14H132125.3°119.9°
C12C13H131H132117.8°120.1°
C12C13C14O3179.9°178.6°
C12C13C14C1558.5°61.4°
C12C13C14H1461.6°58.7°
H121C12C13C14176.9°65.2°
H121C12C13H13157.8°54.8°
H121C12C13H13251.6°174.9°
H122C12C13C1467.5°174.4°
H122C12C13H131167.3°65.7°
H122C12C13H13257.8°54.4°
C14C13H131H132117.9°120.1°
C13C14O3C15121.8°120.1°
C13C14O3H14118.1°120.0°
C13C14C15H14118.1°120.1°
C13C14O3HO3180.0°180.0°
C13C14C15C1656.3°61.4°
C13C14C15H15168.9°58.6°
C13C14C15H152178.5°178.6°
H131C13C14O354.7°58.6°
H131C13C14C1566.7°178.6°
H131C13C14H14173.2°61.3°
H132C13C14O354.8°61.5°
H132C13C14C15176.3°58.5°
H132C13C14H1463.6°178.6°
O3C14C15H14118.6°119.9°
O3C14C15C16179.5°178.6°
O3C14C15H15154.3°61.4°
O3C14C15H15255.2°58.6°
C15C14O3HO358.2°60.0°
C14C15C16H151125.2°120.0°
C14C15C16H152125.3°120.0°
C14C15H151H152117.9°120.1°
C14C15C16H16170.8°65.1°
C14C15C16H162179.7°174.4°
H14C14O3HO361.9°60.0°
H14C14C15C1661.8°58.7°
H14C14C15H151173.0°178.6°
H14C14C15H15263.4°61.3°
C16C15H151H152117.8°120.1°
C15C16H161H162117.3°120.4°
H151C15C16H161163.9°174.9°
H151C15C16H16254.5°54.5°
H152C15C16H16154.4°54.8°
H152C15C16H16255.0°65.6°
C18C17H171H172117.0°119.9°
C17C18C19C23179.2°179.8°
C17C18C19C20179.5°180.0°
C17C18C19H1910.5°0.1°
C17C18C23C22179.5°179.7°
C17C18C23H2310.5°0.2°
H171C17C18C1945.3°30.1°
H171C17C18C23135.5°149.7°
H172C17C18C19154.8°150.0°
H172C17C18C2326.0°29.7°
C18C19C20H191180.0°179.9°
C18C19C20C210.6°0.1°
C18C19C20H201179.4°180.0°
C19C18C23C220.3°0.5°
C19C18C23H231179.7°180.0°
C23C18C19C200.3°0.2°
C23C18C19H191179.7°179.7°
C18C23C22C210.5°0.5°
C18C23C22H231180.0°179.5°
C18C23C22H221179.5°179.7°
C19C20C21H201180.0°179.9°
C19C20C21F1179.0°180.0°
C19C20C21C220.8°0.0°
H191C19C20C21179.4°179.9°
H191C19C20H2010.6°0.1°
C20C21F1C22179.8°180.0°
C20C21C22C230.7°0.2°
C20C21C22H221179.2°179.9°
H201C20C21F11.1°0.1°
H201C20C21C22179.2°180.0°
F1C21C22C23179.0°179.7°
F1C21C22H2211.0°0.1°
C21C22C23H221180.0°179.8°
C21C22C23H231179.5°180.0°
H221C22C23H2310.5°0.2°

222415

PDB entries from 2024-07-10

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