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A1JFR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C02O01doub1.22Å1.28Å
O03C02sing1.35Å1.26Å
C04C02sing1.42Å1.50Å
C05C04doub1.39Å1.38ÅAromatic
C07C06doub1.39Å1.36ÅAromatic
C08C07sing1.38Å1.39ÅAromatic
C09C08doub1.38Å1.38ÅAromatic
S11C10sing1.81Å1.82Å
C12S11sing1.81Å1.80Å
O13S11doub1.42Å1.46Å
O14S11doub1.42Å1.47Å
C10C09sing1.51Å1.54Å
C15C09sing1.39Å1.39ÅAromatic
F16C15sing1.35Å1.36Å
C17C15doub1.38Å1.38ÅAromatic
C06C05sing1.48Å1.51Å
C18C05sing1.40Å1.40ÅAromatic
C20C19sing1.53Å1.54Å
C19C18sing1.51Å1.53Å
C21C18doub1.37Å1.39ÅAromatic
C23C22doub1.40Å1.37ÅAromatic
C24C23sing1.38Å1.38ÅAromatic
C25C24doub1.38Å1.37ÅAromatic
C26C25sing1.38Å1.38ÅAromatic
C27C26doub1.38Å1.35ÅAromatic
C22C21sing1.48Å1.52Å
N28C21sing1.36Å1.34ÅAromatic
C04N28sing1.38Å1.31ÅAromatic
C06C17sing1.39Å1.41ÅAromatic
C22C27sing1.40Å1.39ÅAromatic
C10H102sing1.09Å1.10Å
C10H101sing1.09Å1.10Å
C17H171sing1.08Å1.08Å
C20H201sing1.09Å1.10Å
C20H203sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C24H241sing1.08Å1.08Å
C26H261sing1.08Å1.08Å
C07H071sing1.08Å1.08Å
C08H081sing1.08Å1.08Å
C12H123sing1.09Å1.10Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C19H191sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C23H231sing1.08Å1.08Å
C25H251sing1.08Å1.08Å
C27H271sing1.08Å1.08Å
N28H281sing0.97Å1.00Å
O03H1sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O01C02O03122.3°120.0°
O01C02C04117.4°120.0°
O03C02C04119.6°120.0°
C02O03H1109.5°114.0°
C02C04C05129.4°126.2°
C02C04N28120.9°126.2°
C04C05C06124.6°126.5°
C04C05C18106.6°107.0°
C05C04N28109.4°107.6°
C06C07C08120.9°119.9°
C07C06C05125.4°120.1°
C07C06C17118.5°119.7°
C06C07H071119.6°120.0°
C07C08C09120.9°120.2°
C08C07H071119.6°120.1°
C07C08H081119.5°119.9°
C08C09C10120.3°119.9°
C08C09C15118.5°120.2°
C09C08H081119.6°119.9°
C10S11C12107.9°101.9°
C10S11O13110.5°108.6°
C10S11O14112.6°108.6°
S11C10C09112.1°109.5°
S11C10H102108.8°109.5°
S11C10H101108.8°109.5°
C12S11O13108.0°108.6°
C12S11O14108.5°108.6°
S11C12H123109.5°109.5°
S11C12H121109.5°109.5°
S11C12H122109.5°109.5°
O13S11O14109.3°119.2°
C10C09C15121.1°119.9°
C09C10H102108.8°109.5°
C09C10H101108.8°109.5°
C09C15F16120.4°120.0°
C09C15C17120.4°120.1°
F16C15C17119.2°120.0°
C15C17C06120.6°119.9°
C15C17H171119.7°120.1°
C06C05C18128.5°126.5°
C05C06C17115.7°120.2°
C05C18C19128.5°126.1°
C05C18C21105.3°107.8°
C20C19C18111.3°109.5°
C19C20H201109.5°109.5°
C19C20H203109.5°109.5°
C19C20H202109.5°109.4°
C20C19H191109.0°109.5°
C20C19H192109.0°109.5°
C19C18C21126.2°126.1°
C18C19H191109.0°109.5°
C18C19H192109.0°109.4°
C18C21C22130.7°125.5°
C18C21N28109.0°108.9°
C22C23C24119.0°119.9°
C23C22C21123.4°120.2°
C23C22C27119.8°119.7°
C22C23H231120.5°120.0°
C23C24C25121.4°120.1°
C23C24H241119.3°119.9°
C24C23H231120.5°120.1°
C24C25C26118.5°120.3°
C25C24H241119.3°119.9°
C24C25H251120.8°119.8°
C25C26C27120.9°120.1°
C25C26H261119.6°120.0°
C26C25H251120.8°119.8°
C26C27C22120.4°119.9°
C27C26H261119.5°119.9°
C26C27H271119.8°120.1°
C22C21N28120.2°125.6°
C21C22C27116.8°120.1°
C21N28C04109.6°108.8°
C21N28H281125.2°125.6°
C04N28H281125.2°125.6°
C06C17H171119.7°120.0°
C22C27H271119.8°120.0°
H102C10H101109.4°109.5°
H201C20H203109.4°109.5°
H201C20H202109.5°109.5°
H203C20H202109.5°109.5°
H123C12H121109.4°109.5°
H123C12H122109.5°109.5°
H121C12H122109.5°109.4°
H191C19H192109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O01C02O03C04170.5°180.0°
O01C02C04C0532.6°0.3°
O01C02C04N28141.1°179.9°
O01C02O03H10.0°0.1°
O03C02C04C05156.4°179.7°
O03C02C04N2829.9°0.1°
C02C04C05N28174.3°179.7°
C02C04C05C0612.4°0.0°
C02C04C05C18174.0°179.9°
C02C04N28C21173.6°180.0°
C02C04N28H2816.4°0.4°
C04C02O03H1170.6°179.9°
C04C05C06C07143.4°115.0°
C04C05C06C18172.1°179.9°
C04C05C18C19177.9°179.6°
C04C05C18C210.8°0.4°
C05C04N28C211.3°0.3°
C04C05C06C1743.9°65.0°
C05C04N28H281178.7°179.9°
C06C07C08H071180.0°179.9°
C06C07C08C093.3°0.0°
C07C06C17C153.9°0.1°
C07C06C05C17172.7°180.0°
C07C06C05C1844.5°64.9°
C07C06C17H171176.1°180.0°
C06C07C08H081176.7°180.0°
C07C08C09H081180.0°180.0°
C07C08C09C10179.7°180.0°
C07C08C09C151.2°0.0°
C08C07C06C05177.1°180.0°
C08C07C06C174.6°0.0°
C08C09C10S1187.0°90.0°
C08C09C10C15179.1°180.0°
C08C09C15F16179.6°179.8°
C08C09C15C170.6°0.0°
C08C09C10H10233.4°30.0°
C08C09C10H101152.6°150.0°
C09C08C07H071176.7°180.0°
C10S11C12O13119.4°114.5°
C10S11C12O14122.2°114.5°
C10S11O13O14124.4°125.0°
S11C10C09H102120.4°120.0°
S11C10C09H101120.4°120.0°
S11C10C09C1592.1°90.0°
S11C10H102H101118.8°120.0°
C10S11C12H123180.0°180.0°
C10S11C12H12160.0°60.0°
C10S11C12H12260.0°60.0°
C12S11O13O14117.8°124.9°
C12S11C10C0956.6°180.0°
C12S11C10H102177.0°60.0°
C12S11C10H10163.8°60.0°
S11C12H123H121120.0°120.0°
S11C12H123H122120.0°120.0°
S11C12H121H122120.0°120.0°
O13S11C10C0961.2°65.5°
O13S11C10H10259.2°174.5°
O13S11C10H101178.4°54.5°
O13S11C12H12360.6°65.5°
O13S11C12H12159.4°174.5°
O13S11C12H122179.4°54.6°
O14S11C10C09176.2°65.5°
O14S11C10H10263.3°54.5°
O14S11C10H10155.8°174.5°
O14S11C12H12357.8°65.5°
O14S11C12H121177.8°54.5°
O14S11C12H12262.2°174.5°
C10C09C15F160.5°0.2°
C10C09C15C17179.7°180.0°
C09C10H102H101118.8°120.0°
C10C09C08H0810.3°0.0°
C09C15F16C17179.8°179.8°
C09C15C17C062.0°0.1°
C15C09C10H102147.5°150.0°
C15C09C10H10128.3°30.0°
C09C15C17H171178.0°180.0°
C15C09C08H081178.8°180.0°
F16C15C17C06178.2°179.7°
F16C15C17H1711.8°0.2°
C15C17C06C05177.2°179.9°
C15C17C06H171180.0°179.9°
C06C05C18C194.7°0.3°
C06C05C18C21174.0°179.7°
C06C05C04N28173.3°179.6°
C05C06C17H1712.8°0.0°
C05C06C07H0712.9°0.1°
C05C18C19C2087.2°95.1°
C05C18C19C21178.5°180.0°
C05C18C21C22177.6°180.0°
C05C18C21N281.6°0.2°
C18C05C04N280.3°0.4°
C18C05C06C17128.2°115.1°
C05C18C19H191152.5°24.9°
C05C18C19H19233.1°144.8°
C20C19C18H191120.3°120.0°
C20C19C18H192120.3°120.0°
C20C19C18C2194.3°84.9°
C19C20H201H203120.0°120.0°
C19C20H201H202120.0°119.9°
C19C20H203H202120.0°120.0°
C20C19H191H192119.1°120.1°
C19C18C21C221.1°0.0°
C19C18C21N28177.2°179.7°
C18C19C20H201180.0°65.0°
C18C19C20H20360.0°55.0°
C18C19C20H20260.0°175.1°
C18C19H191H192119.2°119.9°
C18C21C22C2340.4°47.8°
C18C21C22N28175.7°179.7°
C18C21N28C041.8°0.1°
C18C21C22C27138.1°131.9°
C21C18C19H19126.0°155.1°
C21C18C19H192145.4°35.1°
C18C21N28H281178.2°179.6°
C22C23C24H231180.0°180.0°
C22C23C24C250.7°0.0°
C23C22C27C261.4°0.3°
C23C22C21C27178.5°179.7°
C23C22C21N28144.0°131.9°
C22C23C24H241179.3°180.0°
C23C22C27H271178.6°179.7°
C23C24C25H241180.0°180.0°
C23C24C25C261.9°0.2°
C24C23C22C21179.4°180.0°
C24C23C22C271.0°0.3°
C23C24C25H251178.1°179.7°
C24C25C26H251180.0°179.9°
C24C25C26C271.4°0.2°
C24C25C26H261178.6°180.0°
C25C24C23H231179.3°180.0°
C25C26C27H261180.0°179.8°
C25C26C27C220.2°0.0°
C26C25C24H241178.1°179.8°
C25C26C27H271179.8°180.0°
C26C27C22C21180.0°180.0°
C26C27C22H271180.0°180.0°
C27C26C25H251178.6°179.7°
C22C21N28C04178.4°179.7°
C21C22C23H2310.6°0.1°
C21C22C27H2710.0°0.0°
C22C21N28H2811.6°0.1°
C21N28C04H281180.0°179.6°
N28C21C22C2737.6°48.4°
C17C06C07H071175.5°179.9°
C22C27C26H261179.8°179.7°
C27C22C23H231179.0°179.8°
H201C20H203H202120.0°120.0°
H201C20C19H19159.7°55.0°
H201C20C19H19259.7°175.1°
H203C20C19H19160.2°175.0°
H203C20C19H192179.7°65.0°
H202C20C19H191179.8°64.9°
H202C20C19H19260.3°55.1°
H241C24C23H2310.7°0.0°
H241C24C25H2511.9°0.3°
H261C26C25H2511.4°0.1°
H261C26C27H2710.2°0.3°
H071C07C08H0813.3°0.0°
H123C12H121H122120.0°119.9°

254917

PDB entries from 2026-06-10

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