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LGJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.38Å1.40ÅAromatic
C1C4sing1.38Å1.40ÅAromatic
C2C9sing1.38Å1.40ÅAromatic
C3C6doub1.38Å1.41ÅAromatic
C3C7sing1.38Å1.41ÅAromatic
C4C14doub1.39Å1.41ÅAromatic
C5C8doub1.38Å1.41ÅAromatic
C5C13sing1.39Å1.41ÅAromatic
C6C15sing1.40Å1.41ÅAromatic
C7C16doub1.39Å1.41ÅAromatic
C8C17sing1.39Å1.41ÅAromatic
C9C19doub1.38Å1.41ÅAromatic
C10C13doub1.39Å1.40ÅAromatic
C10C18sing1.38Å1.39ÅAromatic
C11C15doub1.39Å1.40ÅAromatic
C11C16sing1.39Å1.39ÅAromatic
C12C20doub1.38Å1.38ÅAromatic
C12C21sing1.39Å1.41ÅAromatic
C13C14sing1.48Å1.46ÅAromatic
C14C19sing1.39Å1.41ÅAromatic
C15C22sing1.48Å1.45Å
C16N29sing1.40Å1.40ÅAromatic
C17C18doub1.39Å1.40ÅAromatic
C17N32sing1.40Å1.40Å
C18F37sing1.35Å1.33Å
C19S41sing1.76Å1.77Å
C20C24sing1.47Å1.48Å
C20N29sing1.37Å1.38ÅAromatic
C21C26sing1.51Å1.48Å
C21N27doub1.31Å1.34ÅAromatic
C22N28doub1.30Å1.29Å
C22N30sing1.38Å1.36Å
C23N30sing1.35Å1.38Å
C23N31sing1.35Å1.40Å
C23O33doub1.22Å1.23Å
C24N32sing1.35Å1.41Å
C24O34doub1.22Å1.22Å
C25S41sing1.81Å1.77Å
C26F38sing1.40Å1.37Å
C26F39sing1.40Å1.38Å
C26F40sing1.40Å1.36Å
N27N29sing1.40Å1.33ÅAromatic
N28N31sing1.40Å1.37Å
O35S41doub1.42Å1.45Å
O36S41doub1.42Å1.47Å
C1H1sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
C4H4sing1.08Å1.08Å
C5H5sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C7H7sing1.08Å1.08Å
C8H8sing1.08Å1.08Å
C9H9sing1.08Å1.08Å
C10H10sing1.08Å1.08Å
C11H11sing1.08Å1.08Å
C12H12sing1.08Å1.08Å
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
C25H25Bsing1.09Å1.10Å
N30HN30sing0.97Å1.00Å
N31HN31sing0.97Å1.00Å
N32HN32sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C4119.4°120.1°
C1C2C9119.6°120.3°
C2C1H1120.3°119.9°
C1C2H2120.2°119.9°
C1C4C14121.3°119.9°
C4C1H1120.3°120.0°
C1C4H4119.4°120.0°
C2C9C19121.2°120.1°
C9C2H2120.2°119.9°
C2C9H9119.4°119.9°
C6C3C7120.4°120.2°
C3C6C15119.5°120.0°
C6C3H3119.8°119.9°
C3C6H6120.2°120.0°
C3C7C16119.3°120.2°
C7C3H3119.8°119.9°
C3C7H7120.4°119.9°
C4C14C13116.8°120.1°
C4C14C19119.4°119.7°
C14C4H4119.3°120.1°
C8C5C13120.6°120.0°
C5C8C17118.9°120.1°
C8C5H5119.7°120.0°
C5C8H8120.6°120.0°
C5C13C10119.8°119.9°
C5C13C14121.9°120.0°
C13C5H5119.7°120.0°
C6C15C11120.1°119.7°
C6C15C22121.0°120.1°
C15C6H6120.3°119.9°
C7C16C11120.2°120.0°
C7C16N29123.3°120.0°
C16C7H7120.3°119.9°
C8C17C18119.8°120.1°
C8C17N32120.8°120.0°
C17C8H8120.6°119.9°
C9C19C14119.0°119.9°
C9C19S41118.1°120.1°
C19C9H9119.4°120.0°
C13C10C18119.7°119.9°
C10C13C14118.2°120.0°
C13C10H10120.2°120.1°
C10C18C17121.2°120.0°
C10C18F37118.8°120.0°
C18C10H10120.2°120.0°
C15C11C16120.5°119.8°
C11C15C22118.9°120.1°
C15C11H11119.7°120.1°
C11C16N29116.5°120.0°
C16C11H11119.8°120.1°
C20C12C21104.0°107.7°
C12C20C24128.5°126.6°
C12C20N29105.7°107.0°
C20C12H12128.0°126.1°
C12C21C26128.3°125.5°
C12C21N27113.2°108.8°
C21C12H12128.0°126.2°
C13C14C19123.8°120.2°
C14C19S41122.9°120.1°
C15C22N28126.0°125.8°
C15C22N30119.0°125.7°
C16N29C20128.7°126.2°
C16N29N27117.3°126.1°
C18C17N32119.3°119.9°
C17C18F37120.0°120.0°
C17N32C24125.3°120.0°
C17N32HN32117.4°120.1°
C19S41C25104.5°104.5°
C19S41O35108.4°104.2°
C19S41O36108.1°104.3°
C24C20N29125.8°126.5°
C20C24N32118.2°120.0°
C20C24O34120.0°120.0°
C20N29N27114.0°107.7°
C26C21N27118.5°125.6°
C21C26F38114.8°109.5°
C21C26F39115.0°109.5°
C21C26F40112.9°109.5°
C21N27N29103.1°108.8°
N28C22N30115.0°108.5°
C22N28N31103.4°108.1°
C22N30C23106.1°108.3°
C22N30HN30126.9°125.9°
N30C23N31103.9°107.6°
N30C23O33128.6°126.2°
C23N30HN30126.9°125.9°
N31C23O33127.5°126.2°
C23N31N28111.6°107.5°
C23N31HN31124.2°126.2°
N32C24O34121.8°120.0°
C24N32HN32117.3°120.0°
C25S41O35108.8°110.5°
C25S41O36106.4°110.6°
S41C25H25109.5°109.5°
S41C25H25A109.5°109.5°
S41C25H25B109.5°109.5°
F38C26F39101.1°109.4°
F38C26F40105.1°109.5°
F39C26F40106.7°109.5°
N28N31HN31124.2°126.3°
O35S41O36119.7°121.0°
H25C25H25A109.5°109.5°
H25C25H25B109.5°109.5°
H25AC25H25B109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C4H1180.0°179.7°
C1C2C9H2180.0°180.0°
C2C1C4C140.4°0.0°
C1C2C9C190.7°0.0°
C2C1C4H4179.7°180.0°
C1C2C9H9179.3°179.9°
C4C1C2C90.4°0.0°
C1C4C14H4180.0°180.0°
C1C4C14C13179.6°180.0°
C1C4C14C190.6°0.0°
C4C1C2H2179.6°180.0°
C2C9C19H9180.0°179.9°
C2C9C19C140.9°0.0°
C2C9C19S41179.8°180.0°
C9C2C1H1179.6°179.7°
C6C3C7H3180.0°179.7°
C3C6C15H6180.0°179.9°
C6C3C7C160.2°0.0°
C3C6C15C110.3°0.1°
C3C6C15C22177.8°179.9°
C6C3C7H7179.8°180.0°
C7C3C6C150.2°0.1°
C3C7C16H7180.0°180.0°
C3C7C16C111.0°0.0°
C3C7C16N29179.5°180.0°
C7C3C6H6179.9°180.0°
C4C14C13C594.0°113.6°
C4C14C19C90.9°0.1°
C4C14C13C1084.3°66.5°
C4C14C13C19179.0°180.0°
C4C14C19S41179.8°180.0°
C14C4C1H1179.7°179.7°
C8C5C13H5180.0°179.8°
C5C8C17H8180.0°180.0°
C8C5C13C100.9°0.0°
C8C5C13C14179.2°180.0°
C5C8C17C180.4°0.0°
C5C8C17N32178.9°180.0°
C13C5C8C170.1°0.1°
C5C13C10C14178.4°179.9°
C5C13C10C181.2°0.0°
C5C13C14C1987.0°66.4°
C13C5C8H8179.9°180.0°
C5C13C10H10178.8°179.9°
C6C15C11C22177.6°180.0°
C6C15C11C161.1°0.0°
C6C15C22N283.1°180.0°
C6C15C22N30173.7°0.3°
C15C6C3H3179.9°179.8°
C6C15C11H11178.9°180.0°
C7C16C11C151.5°0.0°
C7C16C11N29178.6°180.0°
C7C16N29C2081.2°45.2°
C7C16N29N27101.8°134.9°
C16C7C3H3179.8°179.7°
C7C16C11H11178.6°180.0°
C8C17C18C100.2°0.0°
C8C17C18N32178.5°179.9°
C8C17C18F37180.0°180.0°
C8C17N32C2445.3°18.2°
C17C8C5H5179.9°179.7°
C8C17N32HN32134.7°161.8°
C9C19C14C13179.8°180.0°
C9C19C14S41179.3°180.0°
C9C19S41C2511.0°116.3°
C9C19S41O35126.9°127.6°
C9C19S41O36102.0°0.2°
C19C9C2H2179.3°180.0°
C13C10C18H10180.0°180.0°
C10C13C14C1994.7°113.5°
C13C10C18C170.6°0.0°
C13C10C18F37179.2°180.0°
C10C13C5H5179.1°179.7°
C18C10C13C14179.5°179.9°
C10C18C17F37179.9°180.0°
C10C18C17N32178.6°180.0°
C15C11C16H11180.0°179.9°
C15C11C16N29179.9°180.0°
C11C15C22N28179.3°0.1°
C11C15C22N303.8°179.7°
C11C15C6H6179.7°180.0°
C16C11C15C22178.7°179.9°
C11C16N29C20100.3°134.8°
C11C16N29N2776.8°45.1°
C11C16C7H7179.0°180.0°
C20C12C21H12180.0°179.8°
C12C20N29C16178.1°180.0°
C12C20C24N29178.9°179.9°
C20C12C21C26179.2°180.0°
C20C12C21N270.4°0.0°
C12C20C24N3225.7°5.6°
C12C20C24O34153.9°174.3°
C12C20N29N271.0°0.1°
C21C12C20C24179.8°179.9°
C21C12C20N290.8°0.1°
C12C21C26N27179.6°180.0°
C12C21C26F3879.4°90.0°
C12C21C26F39163.9°150.0°
C12C21C26F4041.1°30.0°
C12C21N27N290.2°0.0°
C13C14C19S410.9°0.0°
C13C14C4H40.4°0.0°
C14C13C5H50.8°0.2°
C14C13C10H100.4°0.0°
C14C19S41C25169.6°63.7°
C14C19S41O3553.8°52.4°
C14C19S41O3677.4°179.8°
C19C14C4H4179.4°180.0°
C14C19C9H9179.1°180.0°
C15C22N28N30177.0°179.8°
C15C22N30C23178.6°180.0°
C15C22N28N31178.6°180.0°
C22C15C6H62.2°0.0°
C22C15C11H111.4°0.0°
C15C22N30HN301.4°0.0°
C16N29C20C242.8°0.1°
C16N29C20N27177.1°179.9°
C16N29N27C21178.2°180.0°
N29C16C7H70.5°0.0°
N29C16C11H110.0°0.1°
C18C17N32C24133.2°161.9°
C18C17C8H8179.6°180.0°
C17C18C10H10179.3°180.0°
C18C17N32HN3246.8°18.1°
N32C17C18F371.5°0.0°
C17N32C24C20177.4°175.0°
C17N32C24HN32180.0°180.0°
C17N32C24O342.2°4.9°
N32C17C8H81.1°0.0°
F37C18C10H100.8°0.1°
C19S41C25O35115.6°111.6°
C19S41C25O36114.2°111.7°
C19S41O35O36124.5°116.7°
S41C19C9H90.2°0.0°
C19S41C25H25180.0°60.0°
C19S41C25H25A60.0°180.0°
C19S41C25H25B60.0°60.0°
C20C24N32O34179.6°180.0°
C24C20N29N27179.9°179.9°
C24C20C12H120.2°0.2°
C20C24N32HN322.6°5.0°
C20N29N27C210.7°0.0°
N29C20C24N32155.5°174.3°
N29C20C24O3424.9°5.8°
N29C20C12H12179.2°179.7°
C21C26F38F39124.4°120.0°
C21C26F38F40124.7°120.1°
C21C26F39F40126.1°120.1°
C26C21N27N29179.8°180.0°
C26C21C12H120.8°0.3°
N27C21C26F38100.2°90.0°
N27C21C26F3916.5°30.0°
N27C21C26F40139.3°150.0°
N27C21C12H12179.6°179.7°
N28C22N30C231.4°0.3°
C22N28N31C231.2°0.1°
N28C22N30HN30178.6°179.8°
C22N28N31HN31178.8°179.9°
C22N30C23HN30180.0°180.0°
C22N30C23N310.5°0.2°
C22N30C23O33179.3°180.0°
N30C22N28N311.6°0.2°
N30C23N31O33179.8°179.8°
N30C23N31N280.4°0.0°
N30C23N31HN31179.6°180.0°
C23N31N28HN31180.0°180.0°
N31C23N30HN30179.5°179.9°
O33C23N31N28179.8°179.8°
O33C23N30HN300.7°0.1°
O33C23N31HN310.2°0.2°
O34C24N32HN32177.8°175.1°
C25S41O35O36122.5°131.5°
S41C25H25H25A120.0°120.0°
S41C25H25H25B120.0°120.0°
S41C25H25AH25B120.0°120.0°
F38C26F39F40109.7°119.9°
O35S41C25H2564.4°51.6°
O35S41C25H25A175.5°68.4°
O35S41C25H25B55.6°171.6°
O36S41C25H2565.8°171.6°
O36S41C25H25A54.2°68.3°
O36S41C25H25B174.2°51.6°
H1C1C2H20.4°0.3°
H1C1C4H40.3°0.2°
H2C2C9H90.7°0.0°
H3C3C6H60.1°0.3°
H3C3C7H70.2°0.3°
H5C5C8H80.1°0.3°
H25C25H25AH25B120.0°120.0°

226262

PDB entries from 2024-10-16

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