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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
S01C02sing1.71Å1.74ÅAromatic
S01C05sing1.76Å1.73ÅAromatic
C02C03doub1.37Å1.39ÅAromatic
C02N06sing1.38Å1.40Å
C03C04sing1.40Å1.42ÅAromatic
C03C10sing1.47Å1.46Å
C04C05doub1.34Å1.38ÅAromatic
C05C19sing1.48Å1.46ÅAromatic
N06C07sing1.35Å1.37Å
C07N08sing1.35Å1.37Å
C07O09doub1.22Å1.21Å
C10O11doub1.22Å1.21Å
C10N12sing1.35Å1.37Å
N12C13sing1.46Å1.45Å
C13C14sing1.53Å1.51Å
C13C18sing1.53Å1.53Å
C14N15sing1.47Å1.49Å
N15C16sing1.47Å1.49Å
C16C17sing1.53Å1.52Å
C17C18sing1.53Å1.52Å
C19C20sing1.40Å1.38ÅAromatic
C19C24doub1.40Å1.38ÅAromatic
C20C21doub1.38Å1.39ÅAromatic
C21C22sing1.38Å1.38ÅAromatic
C22C23doub1.38Å1.38ÅAromatic
C23C24sing1.38Å1.38ÅAromatic
N06H06sing0.97Å1.00Å
C04H04sing1.08Å1.08Å
N08H081sing0.97Å1.00Å
N08H082sing0.97Å1.00Å
N12H12sing0.97Å1.00Å
C13H13sing1.09Å1.10Å
C14H141sing1.09Å1.10Å
C14H142sing1.09Å1.10Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
N15H15sing1.01Å1.00Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C17H171sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C20H20sing1.08Å1.08Å
C24H24sing1.08Å1.08Å
C21H21sing1.08Å1.08Å
C22H22sing1.08Å1.08Å
C23H23sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C02S01C0591.3°92.0°
S01C02C03113.1°110.4°
S01C02N06120.9°124.8°
S01C05C04110.8°110.2°
S01C05C19119.6°124.9°
C03C02N06126.0°124.8°
C02C03C04110.0°113.8°
C02C03C10122.2°123.1°
C02N06C07121.2°120.0°
C02N06H06119.4°120.0°
C04C03C10127.8°123.2°
C03C04C05114.9°113.7°
C03C04H04122.6°123.1°
C03C10O11122.2°120.0°
C03C10N12117.2°120.0°
C04C05C19129.6°124.9°
C05C04H04122.6°123.1°
C05C19C20122.2°120.1°
C05C19C24118.9°120.1°
N06C07N08115.1°120.0°
N06C07O09123.2°120.0°
C07N06H06119.4°120.0°
N08C07O09121.7°120.0°
C07N08H081120.0°120.0°
C07N08H082120.0°120.0°
O11C10N12120.6°120.0°
C10N12C13119.7°120.0°
C10N12H12120.1°120.0°
N12C13C14109.0°109.5°
N12C13C18111.8°109.5°
C13N12H12120.2°120.0°
N12C13H13108.7°109.5°
C14C13C18110.9°109.3°
C13C14N15110.3°109.5°
C14C13H13109.7°109.5°
C13C14H141109.2°109.5°
C13C14H142109.2°109.4°
C13C18C17111.0°109.2°
C18C13H13106.8°109.5°
C13C18H181109.0°109.5°
C13C18H182109.0°109.5°
C14N15C16113.7°111.2°
N15C14H141109.2°109.5°
N15C14H142109.2°109.4°
C14N15H15108.1°111.0°
N15C16C17106.8°109.5°
C16N15H15108.1°111.0°
N15C16H161110.4°109.5°
N15C16H162110.4°109.5°
C16C17C18111.9°109.3°
C17C16H161110.4°109.4°
C17C16H162110.4°109.4°
C16C17H171108.7°109.5°
C16C17H172108.7°109.5°
C17C18H181109.0°109.5°
C17C18H182109.0°109.5°
C18C17H171108.6°109.5°
C18C17H172108.7°109.5°
C20C19C24118.8°119.7°
C19C20C21121.3°119.8°
C19C20H20119.3°120.1°
C19C24C23120.9°119.9°
C19C24H24119.6°120.1°
C20C21C22118.6°120.1°
C21C20H20119.3°120.1°
C20C21H21120.7°119.9°
C21C22C23120.8°120.3°
C22C21H21120.7°119.9°
C21C22H22119.6°119.8°
C22C23C24119.5°120.1°
C23C22H22119.6°119.8°
C22C23H23120.2°119.9°
C23C24H24119.5°120.1°
C24C23H23120.3°120.0°
H081N08H082120.0°120.0°
H141C14H142109.7°109.5°
H181C18H182109.9°109.6°
H161C16H162108.6°109.5°
H171C17H172110.3°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
S01C02C03N06179.4°180.0°
S01C02C03C040.4°0.0°
S01C02C03C10179.1°180.0°
C02S01C05C040.5°0.0°
C02S01C05C19179.7°180.0°
S01C02N06C075.9°0.0°
S01C02N06H06174.1°180.0°
C05S01C02C030.6°0.0°
C05S01C02N06180.0°180.0°
S01C05C04C030.4°0.0°
S01C05C04C19179.1°180.0°
S01C05C19C20173.6°0.0°
S01C05C19C246.7°179.8°
S01C05C04H04179.6°180.0°
C02C03C04C10179.4°180.0°
C02C03C04C050.0°0.0°
C03C02N06C07173.4°180.0°
C02C03C10O110.6°0.0°
C02C03C10N12178.5°180.0°
C03C02N06H066.6°0.0°
C02C03C04H04180.0°180.0°
N06C02C03C04179.8°180.0°
N06C02C03C100.4°0.0°
C02N06C07H06180.0°180.0°
C02N06C07N08165.4°180.0°
C02N06C07O0915.0°0.0°
C03C04C05H04180.0°180.0°
C03C04C05C19179.5°180.0°
C04C03C10O11178.8°180.0°
C04C03C10N120.9°0.0°
C10C03C04C05179.4°180.0°
C03C10O11N12177.8°180.0°
C03C10N12C13160.1°180.0°
C10C03C04H040.6°0.0°
C03C10N12H1219.9°0.1°
C04C05C19C207.4°180.0°
C04C05C19C24172.3°0.2°
C05C19C20C24179.7°179.8°
C05C19C20C21180.0°180.0°
C05C19C24C23180.0°179.7°
C19C05C04H040.5°0.0°
C05C19C20H200.1°0.0°
C05C19C24H240.0°0.1°
N06C07N08O09179.6°180.0°
N06C07N08H081179.6°0.0°
N06C07N08H0820.4°180.0°
N08C07N06H0614.6°0.0°
C07N08H081H082180.0°179.9°
O09C07N06H06165.1°180.0°
O09C07N08H0810.0°180.0°
O09C07N08H082180.0°0.0°
O11C10N12C1317.9°0.0°
O11C10N12H12162.1°179.9°
C10N12C13H12180.0°179.9°
C10N12C13C1486.4°85.0°
C10N12C13C18150.8°155.2°
C10N12C13H1333.2°35.1°
N12C13C14C18123.4°120.0°
N12C13C14H13118.9°120.1°
N12C13C18H13118.7°120.1°
N12C13C14N15177.1°179.2°
N12C13C18C17174.6°177.6°
N12C13C14H14157.1°59.2°
N12C13C14H14262.9°60.9°
N12C13C18H18165.4°62.5°
N12C13C18H18254.6°57.7°
C14C13C18H13119.4°120.0°
C13C14N15H141120.0°120.0°
C13C14N15H142120.0°120.0°
C13C14N15C1659.6°61.8°
C14C13C18C1752.8°57.7°
C14C13N12H1293.6°95.1°
C13C14H141H142119.7°120.0°
C14C13C18H181172.8°177.6°
C14C13C18H18267.2°62.2°
C13C14N15H15179.6°174.2°
C18C13C14N1553.6°59.2°
C13C18C17C1656.0°57.6°
C13C18C17H181120.0°119.9°
C13C18C17H182120.0°119.9°
C18C13N12H1229.2°24.8°
C18C13C14H14166.4°60.8°
C18C13C14H142173.6°179.2°
C13C18H181H182119.4°120.2°
C13C18C17H171176.0°177.6°
C13C18C17H17264.0°62.3°
C14N15C16H15120.0°124.0°
C14N15C16C1760.2°61.8°
N15C14C13H1364.1°60.8°
N15C14H141H142119.7°120.0°
C14N15C16H16159.8°58.2°
C14N15C16H162179.8°178.2°
N15C16C17H161120.0°120.1°
N15C16C17H162120.0°120.0°
N15C16C17C1857.7°59.2°
C16N15C14H14160.4°58.2°
C16N15C14H142179.6°178.3°
N15C16H161H162121.1°120.0°
N15C16C17H171177.7°179.2°
N15C16C17H17262.3°60.7°
C16C17C18H171120.0°120.0°
C16C17C18H172120.0°119.9°
C16C17C18H181176.0°177.6°
C16C17C18H18264.0°62.2°
C17C16N15H15179.8°174.2°
C17C16H161H162121.1°119.9°
C16C17H171H172119.0°120.0°
C17C18C13H1366.6°62.3°
C17C18H181H182119.4°120.1°
C18C17C16H16162.3°60.9°
C18C17C16H162177.7°179.2°
C18C17H171H172119.0°120.1°
C19C20C21H20180.0°180.0°
C19C20C21C220.2°0.0°
C20C19C24C230.2°0.6°
C20C19C24H24179.8°179.7°
C19C20C21H21179.8°180.0°
C24C19C20C210.3°0.2°
C19C24C23C220.1°0.6°
C19C24C23H24180.0°179.7°
C24C19C20H20179.7°179.8°
C19C24C23H23179.9°179.7°
C20C21C22H21180.0°179.9°
C20C21C22C230.1°0.0°
C20C21C22H22179.9°179.9°
C21C22C23H22180.0°180.0°
C21C22C23C240.0°0.3°
C22C21C20H20179.7°179.9°
C21C22C23H23180.0°179.9°
C22C23C24H23180.0°179.8°
C22C23C24H24179.9°179.7°
C23C22C21H21179.9°179.9°
C24C23C22H22180.0°179.7°
H12N12C13H13146.8°144.9°
H13C13C14H141176.0°179.2°
H13C13C14H14256.0°59.2°
H13C13C18H18153.4°57.6°
H13C13C18H182173.3°177.8°
H141C14N15H1559.6°65.8°
H142C14N15H1560.4°54.2°
H181C18C17H17164.0°62.5°
H181C18C17H17256.0°57.7°
H182C18C17H17156.0°57.7°
H182C18C17H172176.0°177.9°
H15N15C16H16160.2°65.8°
H15N15C16H16259.8°54.2°
H161C16C17H17157.7°59.1°
H161C16C17H172177.7°179.2°
H162C16C17H17162.4°60.8°
H162C16C17H17257.7°59.3°
H20C20C21H210.2°0.0°
H24C24C23H230.1°0.1°
H21C21C22H220.1°0.0°
H22C22C23H230.0°0.0°

226262

PDB entries from 2024-10-16

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