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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O02S01doub1.42Å1.47Å
O01S01doub1.42Å1.47Å
S01C01sing1.81Å1.82Å
S01C02sing1.76Å1.79Å
C02C03doub1.38Å1.38ÅAromatic
C02C19sing1.38Å1.39ÅAromatic
C03C04sing1.38Å1.41ÅAromatic
C19C09doub1.40Å1.36ÅAromatic
C04C05doub1.39Å1.38ÅAromatic
C09C05sing1.40Å1.38ÅAromatic
C09C10sing1.48Å1.54Å
C05O03sing1.36Å1.43Å
O04C10doub1.22Å1.18Å
C10N01sing1.35Å1.45Å
O03C06sing1.43Å1.43Å
C06C07sing1.53Å1.55Å
N01C11sing1.47Å1.33Å
N01C18sing1.47Å1.53Å
F04C08sing1.40Å1.36Å
C11C12sing1.51Å1.34Å
F05C08sing1.40Å1.37Å
C08C07sing1.53Å1.54Å
C08F03sing1.40Å1.36Å
C18C17sing1.51Å1.67Å
C07F02sing1.40Å1.36Å
C07F01sing1.40Å1.35Å
C12C17doub1.38Å1.48ÅAromatic
C12C13sing1.38Å1.58ÅAromatic
C17C16sing1.39Å1.57ÅAromatic
C13C14doub1.38Å1.35ÅAromatic
C16C15doub1.39Å1.29ÅAromatic
C14C15sing1.39Å1.28ÅAromatic
C14F06sing1.35Å1.35Å
C15O05sing1.36Å1.45Å
O05C22sing1.43Å1.39Å
C22C23sing1.53Å1.57Å
C22C21sing1.53Å1.54Å
C23C24sing1.53Å1.56Å
C21C20sing1.53Å1.55Å
C24O06sing1.43Å1.39Å
C20O06sing1.43Å1.40Å
C13H03sing1.08Å1.08Å
C20H19sing1.09Å1.10Å
C20H11sing1.09Å1.10Å
C21H20sing1.09Å1.10Å
C21H12sing1.09Å1.10Å
C22H06sing1.09Å1.10Å
C24H14sing1.09Å1.10Å
C24H22sing1.09Å1.10Å
C01H23sing1.09Å1.10Å
C01H07sing1.09Å1.10Å
C01H15sing1.09Å1.10Å
C03H01sing1.08Å1.08Å
C04H02sing1.08Å1.08Å
C06H16sing1.09Å1.10Å
C06H08sing1.09Å1.10Å
C11H09sing1.09Å1.10Å
C11H17sing1.09Å1.10Å
C16H04sing1.08Å1.08Å
C18H10sing1.09Å1.10Å
C18H18sing1.09Å1.10Å
C19H05sing1.08Å1.08Å
C23H21sing1.09Å1.10Å
C23H13sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O02S01O01110.9°121.1°
O02S01C01111.7°110.5°
O02S01C02110.0°104.3°
O01S01C01109.5°110.5°
O01S01C02108.8°104.3°
C01S01C02105.7°104.5°
S01C01H23109.5°109.4°
S01C01H07109.5°109.5°
S01C01H15109.4°109.4°
S01C02C03122.8°119.9°
S01C02C19113.6°119.8°
C03C02C19123.6°120.3°
C02C03C04118.8°120.4°
C02C03H01120.6°119.8°
C02C19C09116.0°119.9°
C02C19H05122.0°120.1°
C03C04C05117.8°120.1°
C04C03H01120.6°119.8°
C03C04H02121.1°120.0°
C19C09C05123.2°119.6°
C19C09C10119.9°120.2°
C09C19H05122.0°120.0°
C04C05C09120.7°119.7°
C04C05O03122.5°120.2°
C05C04H02121.1°119.9°
C05C09C10116.9°120.2°
C09C05O03116.5°120.1°
C09C10O04123.0°120.0°
C09C10N01114.9°120.0°
C05O03C06121.9°117.0°
O04C10N01121.9°120.0°
C10N01C11131.6°126.5°
C10N01C18116.2°126.5°
O03C06C07104.8°109.5°
O03C06H16110.6°109.5°
O03C06H08110.6°109.5°
C06C07C08112.7°109.5°
C06C07F02110.6°109.4°
C06C07F01108.4°109.5°
C07C06H16110.6°109.5°
C07C06H08110.6°109.5°
C11N01C18112.2°106.9°
N01C11C12118.8°107.7°
N01C11H09107.1°109.9°
N01C11H17107.1°109.8°
N01C18C1795.4°107.7°
N01C18H10112.9°109.8°
N01C18H18112.9°109.8°
F04C08F05108.7°109.5°
F04C08C07111.9°109.5°
F04C08F03108.5°109.5°
C11C12C17104.5°108.8°
C11C12C13145.1°131.1°
C12C11H09107.1°109.7°
C12C11H17107.1°109.9°
F05C08C07110.3°109.5°
F05C08F03110.3°109.4°
C07C08F03107.1°109.5°
C08C07F02107.2°109.5°
C08C07F01109.9°109.5°
C18C17C12108.9°108.9°
C18C17C16134.4°131.1°
C17C18H10112.9°109.7°
C17C18H18112.9°109.9°
F02C07F01107.9°109.4°
C17C12C13110.4°120.1°
C12C17C16116.6°120.0°
C12C13C14123.3°120.1°
C12C13H03118.4°120.0°
C17C16C15123.3°120.1°
C17C16H04118.3°120.0°
C13C14C15124.1°119.9°
C13C14F06116.1°120.0°
C14C13H03118.4°119.9°
C16C15C14122.2°119.8°
C16C15O05109.0°120.1°
C15C16H04118.3°120.0°
C15C14F06119.8°120.0°
C14C15O05128.6°120.1°
C15O05C22122.9°117.0°
O05C22C23111.5°109.5°
O05C22C21103.3°109.6°
O05C22H06111.9°109.7°
C23C22C21111.0°109.0°
C22C23C24107.8°109.2°
C23C22H06109.3°109.5°
C22C23H21109.9°109.5°
C22C23H13109.9°109.5°
C22C21C20109.1°109.2°
C22C21H20109.6°109.5°
C22C21H12109.6°109.6°
C21C22H06109.7°109.5°
C23C24O06109.4°109.4°
C23C24H14109.5°109.5°
C23C24H22109.5°109.5°
C24C23H21109.9°109.5°
C24C23H13109.9°109.5°
C21C20O06109.7°109.5°
C21C20H19109.4°109.5°
C21C20H11109.4°109.5°
C20C21H20109.6°109.6°
C20C21H12109.5°109.6°
C24O06C20116.6°114.1°
O06C24H14109.5°109.5°
O06C24H22109.5°109.4°
O06C20H19109.4°109.5°
O06C20H11109.4°109.5°
H19C20H11109.5°109.4°
H20C21H12109.5°109.5°
H14C24H22109.5°109.5°
H23C01H07109.4°109.4°
H23C01H15109.4°109.5°
H07C01H15109.5°109.5°
H16C06H08109.5°109.4°
H09C11H17109.5°109.8°
H10C18H18109.4°109.9°
H21C23H13109.5°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O02S01O01C01123.8°131.5°
O02S01O01C02121.1°116.8°
O02S01C01C02119.6°111.6°
O02S01C02C030.9°26.1°
O02S01C02C19176.5°153.7°
O02S01C01H23180.0°68.3°
O02S01C01H0760.0°51.6°
O02S01C01H1560.0°171.6°
O01S01C01C02117.1°111.6°
O01S01C02C03120.8°154.0°
O01S01C02C1961.8°25.8°
O01S01C01H2356.7°68.4°
O01S01C01H0763.3°171.7°
O01S01C01H15176.7°51.6°
C01S01C02C03121.7°90.0°
C01S01C02C1955.8°90.3°
S01C01H23H07120.0°120.0°
S01C01H23H15120.0°120.0°
S01C01H07H15120.0°120.0°
S01C02C03C19177.2°179.8°
S01C02C03C04178.8°180.0°
S01C02C19C09179.4°179.7°
C02S01C01H2360.4°179.9°
C02S01C01H07179.6°60.0°
C02S01C01H1559.6°60.0°
S01C02C03H011.2°0.0°
S01C02C19H050.6°0.0°
C02C03C04H01180.0°180.0°
C03C02C19C091.9°0.5°
C02C03C04C051.0°0.0°
C02C03C04H02179.0°180.0°
C03C02C19H05178.1°179.8°
C19C02C03C041.5°0.2°
C02C19C09H05180.0°179.7°
C02C19C09C051.8°0.5°
C02C19C09C10179.9°179.7°
C19C02C03H01178.4°179.8°
C03C04C05H02180.0°180.0°
C03C04C05C091.0°0.0°
C03C04C05O03174.6°179.9°
C19C09C05C041.5°0.3°
C19C09C05C10178.3°179.7°
C19C09C05O03175.4°179.8°
C19C09C10O0472.0°134.7°
C19C09C10N01114.0°45.6°
C04C05C09O03174.0°179.9°
C04C05C09C10179.8°180.0°
C04C05O03C0634.5°0.0°
C05C04C03H01179.0°180.0°
C05C09C10O04109.6°45.1°
C05C09C10N0164.3°134.7°
C09C05O03C06151.6°179.9°
C09C05C04H02179.0°180.0°
C05C09C19H05178.2°179.8°
C10C09C05O036.2°0.0°
C09C10O04N01173.5°179.8°
C09C10N01C1110.1°4.8°
C09C10N01C18172.8°175.1°
C10C09C19H050.1°0.0°
C05O03C06C07174.0°180.0°
O03C05C04H025.4°0.1°
C05O03C06H1654.8°60.0°
C05O03C06H0866.7°60.0°
O04C10N01C11175.9°175.4°
O04C10N01C181.2°4.7°
C10N01C11C18177.2°179.9°
C10N01C11C12176.4°180.0°
C10N01C18C17179.4°180.0°
C10N01C11H0955.1°60.6°
C10N01C11H1762.3°60.4°
C10N01C18H1063.0°60.5°
C10N01C18H1861.8°60.4°
O03C06C07H16119.2°120.0°
O03C06C07H08119.2°120.0°
O03C06C07C0870.4°60.0°
O03C06C07F0249.6°60.0°
O03C06C07F01167.7°180.0°
O03C06H16H08122.1°120.0°
C06C07C08F0459.7°180.0°
C06C07C08F0561.5°59.9°
C06C07C08F02122.0°120.0°
C06C07C08F01121.0°120.0°
C06C07C08F03178.4°60.0°
C06C07F02F01118.4°120.0°
C07C06H16H08122.2°120.0°
N01C11C12H09121.3°119.6°
N01C11C12H17121.3°119.6°
C11N01C18C171.7°0.1°
N01C11C12C173.3°0.0°
N01C11C12C13177.9°180.0°
N01C11H09H17115.8°120.9°
C11N01C18H10119.3°119.5°
C11N01C18H18115.9°119.5°
C18N01C11C120.8°0.0°
N01C18C17H10117.6°119.5°
N01C18C17H18117.6°119.5°
N01C18C17C123.5°0.1°
N01C18C17C16178.7°179.5°
C18N01C11H09122.1°119.5°
C18N01C11H17120.5°119.6°
N01C18H10H18126.6°120.8°
F04C08F05C07123.0°120.0°
F04C08F05F03118.9°120.0°
F04C08C07F03118.8°120.0°
F04C08C07F0262.3°60.0°
F04C08C07F01179.3°60.0°
C11C12C17C184.1°0.1°
C11C12C17C13179.3°179.9°
C11C12C17C16179.7°179.5°
C11C12C13C14178.7°180.0°
C11C12C13H031.3°0.2°
C12C11H09H17115.8°120.9°
F05C08C07F03120.1°119.9°
F05C08C07F02176.5°60.0°
F05C08C07F0159.5°180.0°
C08C07F02F01118.3°120.0°
C08C07C06H16170.3°60.0°
C08C07C06H0848.8°180.0°
F03C08C07F0256.5°180.0°
F03C08C07F0160.6°60.0°
C18C17C12C16176.2°179.5°
C18C17C12C13176.6°180.0°
C18C17C16C15175.6°180.0°
C18C17C16H044.3°0.7°
C17C18H10H18126.6°121.0°
F02C07C06H1669.7°179.9°
F02C07C06H08168.8°60.0°
F01C07C06H1648.4°60.0°
F01C07C06H0873.1°59.9°
C17C12C13C142.5°0.1°
C12C17C16C150.7°0.7°
C17C12C13H03177.5°179.8°
C17C12C11H09124.6°119.5°
C17C12C11H17118.1°119.6°
C12C17C16H04179.3°180.0°
C12C17C18H10121.1°119.6°
C12C17C18H18114.2°119.4°
C13C12C17C160.4°0.5°
C12C13C14H03180.0°179.8°
C12C13C14C155.2°0.2°
C12C13C14F06176.8°179.8°
C13C12C11H0956.6°60.4°
C13C12C11H1760.8°60.4°
C17C16C15H04180.0°179.3°
C17C16C15C143.1°0.5°
C17C16C15O05178.0°179.5°
C16C17C18H1063.7°61.0°
C16C17C18H1861.1°59.9°
C13C14C15C165.4°0.0°
C13C14C15F06177.9°180.0°
C13C14C15O05179.3°179.9°
C16C15C14O05173.9°180.0°
C16C15C14F06176.7°180.0°
C16C15O05C22167.7°6.4°
C14C15O05C2217.8°173.5°
C15C14C13H03174.8°180.0°
C14C15C16H04176.9°179.8°
F06C14C15O052.8°0.0°
F06C14C13H033.2°0.1°
C15O05C22C2363.7°155.4°
C15O05C22C21177.0°85.1°
C15O05C22H0659.1°35.2°
O05C15C16H042.0°0.2°
O05C22C23C21114.6°119.9°
O05C22C23H06124.3°120.3°
O05C22C21H06119.5°120.3°
O05C22C23C24168.0°176.9°
O05C22C21C20172.6°176.8°
O05C22C21H2052.6°63.2°
O05C22C21H1267.5°56.8°
O05C22C23H2172.2°63.2°
O05C22C23H1348.3°56.9°
C23C22C21H06120.9°119.8°
C22C23C24H21119.8°119.9°
C22C23C24H13119.7°119.9°
C23C22C21C2052.9°57.0°
C22C23C24O0655.8°57.6°
C23C22C21H2067.0°176.9°
C23C22C21H12172.8°63.0°
C22C23C24H1464.1°177.6°
C22C23C24H22175.8°62.3°
C22C23H21H13120.8°120.2°
C21C22C23C2453.4°57.0°
C22C21C20H20119.9°119.9°
C22C21C20H12120.0°120.0°
C22C21C20O0654.2°57.6°
C22C21C20H19174.2°177.6°
C22C21C20H1165.8°62.4°
C22C21H20H12120.2°120.1°
C21C22C23H21173.2°176.9°
C21C22C23H1366.3°62.9°
C23C24O06H14120.0°120.0°
C23C24O06H22120.0°120.0°
C23C24O06C2063.7°61.1°
C24C23C22H0667.7°62.8°
C23C24H14H22120.1°120.0°
C24C23H21H13120.7°120.2°
C21C20O06C2462.6°61.1°
C21C20O06H19120.0°120.0°
C21C20O06H11120.0°120.0°
C21C20H19H11119.9°120.0°
C20C21H20H12120.1°120.2°
C20C21C22H0668.0°62.9°
C24O06C20H19177.4°178.9°
C24O06C20H1157.4°58.9°
O06C24H14H22120.0°120.0°
O06C24C23H21175.6°177.5°
O06C24C23H1363.9°62.3°
O06C20H19H11119.9°120.0°
O06C20C21H2065.7°177.5°
O06C20C21H12174.2°62.4°
C20O06C24H1456.3°178.9°
C20O06C24H22176.3°58.9°
H19C20C21H2054.3°62.5°
H19C20C21H1265.8°57.6°
H11C20C21H20174.2°57.5°
H11C20C21H1254.1°177.6°
H20C21C22H06172.1°57.1°
H12C21C22H0652.0°177.2°
H06C22C23H2152.1°57.0°
H06C22C23H13172.6°177.2°
H14C24C23H2155.6°62.5°
H14C24C23H13176.1°57.7°
H22C24C23H2164.4°57.6°
H22C24C23H1356.1°177.7°
H23C01H07H15120.0°120.1°
H01C03C04H021.0°0.0°

223790

PDB entries from 2024-08-14

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