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WZA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.39Å1.48ÅAromatic
C1O3sing1.36Å1.38Å
C1C6doub1.38Å1.40ÅAromatic
O1S1doub1.42Å1.42Å
O2S1doub1.42Å1.44Å
C2C3doub1.38Å1.39ÅAromatic
C2O4sing1.36Å1.35Å
C3C4sing1.39Å1.38ÅAromatic
C4C5doub1.38Å1.49ÅAromatic
C4C8sing1.50Å1.49Å
S1N1sing1.66Å1.60Å
S1O3sing1.52Å1.66Å
C5C6sing1.39Å1.41ÅAromatic
C5C11sing1.51Å1.52Å
O4C7sing1.43Å1.43Å
C8C12sing1.52Å1.54Å
C8CAWsing1.53Å1.53Å
C10C11sing1.53Å1.53Å
C10CAWsing1.53Å1.53Å
C12C13sing1.54Å1.54Å
C13C14sing1.51Å1.53Å
C14C15sing1.52Å1.52Å
C14C16sing1.53Å1.54Å
C14C17sing1.55Å1.53Å
C15C19sing1.55Å1.56Å
C15OAFsing1.43Å1.44Å
C17C18sing1.53Å1.54Å
C17CAWsing1.52Å1.53Å
C18C19sing1.55Å1.63Å
C6H6sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
C8H8sing1.09Å1.10Å
N1H11Nsing0.97Å1.00Å
N1H12Nsing0.97Å1.00Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C7H71Csing1.09Å1.10Å
C7H72Csing1.09Å1.10Å
C7H73Csing1.09Å1.10Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
CAWHAWsing1.09Å1.10Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C13H131sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C15H15sing1.09Å1.10Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C16H163sing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C19H191sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
OAFHAFsing0.97Å0.95Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1O3122.4°120.2°
C2C1C6117.2°119.7°
C1C2C3121.7°119.6°
C1C2O4121.9°120.3°
O3C1C6120.4°120.1°
C1O3S1132.7°114.0°
C1C6C5121.6°120.7°
C1C6H6119.2°119.7°
O1S1O2110.4°123.2°
O1S1N1107.4°106.3°
O1S1O3114.1°106.4°
O2S1N1109.6°106.4°
O2S1O3111.3°106.4°
C3C2O4116.4°120.2°
C2C3C4120.9°120.6°
C2C3H3119.6°119.7°
C2O4C7112.8°117.1°
C3C4C5119.0°119.9°
C3C4C8118.3°118.2°
C4C3H3119.6°119.7°
C5C4C8122.7°121.9°
C4C5C6119.7°119.6°
C4C5C11118.9°122.8°
C4C8C12113.2°111.9°
C4C8CAW114.5°110.2°
C4C8H8103.2°107.9°
N1S1O3103.7°107.2°
S1N1H11N109.5°120.0°
S1N1H12N109.4°120.0°
C6C5C11121.4°117.5°
C5C6H6119.2°119.7°
C5C11C10111.5°111.3°
C5C11H111108.8°109.1°
C5C11H112108.3°109.1°
O4C7H71C109.5°109.5°
O4C7H72C109.5°109.5°
O4C7H73C109.5°109.5°
C12C8CAW109.9°111.5°
C8C12C13110.9°110.6°
C12C8H8108.5°107.9°
C8C12H121109.0°109.3°
C8C12H122108.7°109.2°
C8CAWC10112.2°107.9°
C8CAWC17100.4°106.9°
CAWC8H8107.0°107.3°
C8CAWHAW116.7°109.7°
C11C10CAW110.4°108.2°
C10C11H111108.8°109.1°
C10C11H112108.3°109.1°
C11C10H101109.2°109.8°
C11C10H102109.0°109.8°
C10CAWC17117.3°111.8°
C10CAWHAW99.5°109.7°
CAWC10H101109.2°109.7°
CAWC10H102109.0°109.7°
C12C13C14113.2°107.7°
C13C12H121109.0°109.2°
C13C12H122108.7°109.3°
C12C13H131108.3°109.8°
C12C13H132107.4°109.8°
C13C14C15113.1°116.8°
C13C14C16108.0°109.6°
C13C14C17108.5°108.0°
C14C13H131108.3°109.9°
C14C13H132107.4°109.8°
C15C14C16112.2°109.6°
C15C14C17100.3°103.3°
C14C15C19105.5°105.3°
C14C15OAF112.1°110.3°
C14C15H15111.4°110.2°
C16C14C17114.7°109.1°
C14C16H161109.5°109.4°
C14C16H162109.5°109.5°
C14C16H163109.5°109.5°
C14C17C18108.2°101.6°
C14C17CAW111.3°106.4°
C14C17H17115.4°110.6°
C19C15OAF112.3°110.3°
C15C19C18104.3°106.4°
C19C15H15111.2°110.3°
C15C19H191111.2°110.1°
C15C19H192112.3°110.1°
OAFC15H15104.5°110.3°
C15OAFHAF109.5°114.0°
C18C17CAW122.6°116.1°
C17C18C19102.4°103.0°
C18C17H17101.4°110.5°
C17C18H181111.9°110.7°
C17C18H182113.4°110.7°
C17CAWHAW111.5°110.6°
CAWC17H1797.5°111.2°
C18C19H191111.2°110.1°
C18C19H192112.4°110.1°
C19C18H181111.9°110.7°
C19C18H182113.4°110.8°
H11NN1H12N109.4°120.0°
H111C11H112111.1°109.1°
H71CC7H72C109.5°109.4°
H71CC7H73C109.4°109.5°
H72CC7H73C109.5°109.5°
H121C12H122110.6°109.2°
H101C10H102110.2°109.7°
H131C13H132112.4°109.8°
H161C16H162109.5°109.4°
H161C16H163109.5°109.5°
H162C16H163109.5°109.5°
H191C19H192105.5°110.1°
H181C18H182104.1°110.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1O3C6177.1°179.8°
C1C2C3O4178.9°180.0°
C1C2C3C40.3°0.0°
C2C1O3S167.1°90.0°
C2C1C6C51.0°0.4°
C1C2O4C7117.4°180.0°
C2C1C6H6179.0°179.9°
C1C2C3H3179.7°180.0°
C1O3S1O143.9°38.4°
C1O3S1O281.9°171.4°
O3C1C2C3177.9°179.7°
O3C1C2O40.9°0.2°
C1O3S1N1160.4°75.0°
O3C1C6C5178.2°179.8°
O3C1C6H61.8°0.3°
C6C1C2C30.8°0.1°
C6C1C2O4178.0°180.0°
C1C6C5C40.2°0.9°
C6C1O3S1115.8°89.8°
C1C6C5H6180.0°179.5°
C1C6C5C11179.4°178.7°
O1S1O2N1118.1°122.9°
O1S1O2O3127.8°123.0°
O1S1N1O3121.1°113.5°
O1S1N1H11N149.3°113.6°
O1S1N1H12N29.3°66.5°
O2S1N1O3118.9°113.5°
O2S1N1H11N90.7°113.5°
O2S1N1H12N149.3°66.4°
C2C3C4H3180.0°180.0°
C2C3C4C51.1°0.5°
C2C3C4C8179.7°178.8°
C3C2O4C761.4°0.0°
O4C2C3C4179.2°180.0°
O4C2C3H30.8°0.1°
C2O4C7H71C91.1°60.0°
C2O4C7H72C29.0°59.9°
C2O4C7H73C149.0°180.0°
C3C4C5C8178.5°179.3°
C3C4C5C60.9°1.0°
C3C4C5C11179.5°178.7°
C3C4C8C1247.7°34.5°
C3C4C8CAW174.7°159.1°
C3C4C8H869.4°84.1°
C4C5C6C11179.6°179.7°
C5C4C8C12133.8°146.2°
C5C4C8CAW6.8°21.6°
C4C5C11C1025.0°15.9°
C4C5C6H6179.8°179.6°
C5C4C3H3178.9°179.5°
C5C4C8H8109.2°95.2°
C4C5C11H11195.0°104.5°
C4C5C11H112144.1°136.4°
C8C4C5C6179.4°178.3°
C8C4C5C111.0°2.0°
C4C8C12CAW129.4°123.8°
C4C8C12H8113.9°118.6°
C4C8CAWH8113.7°117.3°
C4C8CAWC1036.9°54.6°
C4C8C12C13170.6°179.8°
C4C8CAWC17162.3°175.1°
C8C4C3H30.3°1.2°
C4C8C12H12150.6°59.9°
C4C8C12H12270.0°59.5°
C4C8CAWHAW77.1°64.9°
S1N1H11NH12N120.0°179.9°
O3S1N1H11N28.2°0.1°
O3S1N1H12N91.8°180.0°
C6C5C11C10155.4°164.4°
C6C5C11H11184.6°75.1°
C6C5C11H11236.3°44.0°
C5C11C10H111120.0°120.4°
C5C11C10H112119.1°120.4°
C5C11C10CAW54.9°48.9°
C11C5C6H60.6°0.8°
C5C11H111H112119.2°119.1°
C5C11C10H101174.9°168.6°
C5C11C10H10264.8°70.8°
O4C7H71CH72C120.0°120.0°
O4C7H71CH73C120.0°120.0°
O4C7H72CH73C120.0°120.0°
C12C8CAWH8117.6°117.9°
C12C8CAWC10165.6°179.4°
C8C12C13H121120.0°120.3°
C8C12C13H122119.4°120.3°
C8C12C13C1447.5°57.0°
C12C8CAWC1769.0°60.2°
C8C12H121H122119.4°119.4°
C12C8CAWHAW51.6°59.9°
C8C12C13H13172.6°62.6°
C8C12C13H132165.9°176.6°
C8CAWC10C1162.1°70.0°
C8CAWC10C17115.5°117.3°
C8CAWC10HAW124.1°119.5°
CAWC8C12C1360.0°56.0°
C8CAWC17C1471.8°65.2°
C8CAWC17C18157.9°177.3°
C8CAWC17HAW124.3°119.5°
CAWC8C12H121180.0°176.3°
CAWC8C12H12259.4°64.3°
C8CAWC10H101177.9°170.2°
C8CAWC10H10257.5°49.7°
C8CAWC17H1749.2°55.3°
C11C10CAWH101120.0°119.7°
C11C10CAWH102119.6°119.7°
C11C10CAWC17177.6°172.6°
C10C11H111H112119.2°119.1°
C11C10CAWHAW62.0°49.5°
C11C10H101H102119.7°120.7°
C10CAWC17C14166.4°176.9°
C10CAWC17C1836.0°64.8°
C10CAWC17HAW113.8°122.6°
C10CAWC8H876.8°62.7°
CAWC10C11H11165.1°71.5°
CAWC10C11H112174.0°169.3°
CAWC10H101H102119.6°120.5°
C10CAWC17H1772.6°62.6°
C12C13C14H131120.0°119.5°
C12C13C14H132118.4°119.5°
C12C13C14C15157.9°179.5°
C12C13C14C1677.3°55.2°
C12C13C14C1747.6°63.6°
C13C12C8H856.7°61.5°
C13C12H121H122119.4°119.4°
C12C13H131H132118.5°120.8°
C13C14C15C16122.5°125.4°
C13C14C15C17115.3°118.4°
C13C14C16C17121.1°118.1°
C13C14C15C19158.2°147.7°
C13C14C15OAF79.2°93.3°
C13C14C17C18160.1°168.8°
C13C14C17CAW62.4°69.3°
C14C13C12H121167.4°177.3°
C14C13C12H12271.9°63.3°
C14C13H131H132118.5°120.9°
C13C14C15H1537.4°28.8°
C13C14C16H16122.7°54.4°
C13C14C16H16297.2°174.3°
C13C14C16H163142.7°65.7°
C13C14C17H1747.4°51.5°
C15C14C16C17113.6°112.4°
C14C15C19OAF122.4°119.0°
C14C15C19H15120.9°118.9°
C14C15OAFH15120.8°122.0°
C15C14C17C1841.4°44.5°
C15C14C17CAW178.8°166.3°
C14C15C19C1829.5°3.4°
C15C14C13H13137.9°59.9°
C15C14C13H13283.7°61.0°
C15C14C16H161102.6°176.2°
C15C14C16H162137.4°56.3°
C15C14C16H16317.4°63.8°
C15C14C17H1771.3°72.8°
C14C15C19H191149.5°122.7°
C14C15C19H19292.5°115.8°
C14C15OAFHAF9.1°180.0°
C16C14C15C1979.3°86.9°
C16C14C15OAF43.2°32.1°
C16C14C17C1879.1°72.0°
C16C14C17CAW58.4°49.8°
C16C14C13H131162.7°174.7°
C16C14C13H13241.1°64.4°
C16C14C15H15159.9°154.2°
C14C16H161H162120.0°120.0°
C14C16H161H163120.0°120.0°
C14C16H162H163120.0°120.1°
C16C14C17H17168.2°170.7°
C17C14C15C1942.9°29.3°
C17C14C15OAF165.4°148.3°
C14C17C18CAW131.6°114.9°
C14C17C18H17121.8°117.4°
C14C17CAWH17121.0°120.5°
C14C17C18C1923.0°41.7°
C14C17CAWHAW52.5°54.3°
C17C14C13H13172.4°55.9°
C17C14C13H132166.0°176.8°
C17C14C15H1577.9°89.7°
C17C14C16H161143.8°63.8°
C17C14C16H16223.8°56.1°
C17C14C16H16396.2°176.2°
C14C17C18H18197.0°76.7°
C14C17C18H182145.6°160.1°
C19C15OAFH15120.6°122.1°
C15C19C18C173.9°24.1°
C15C19C18H191120.0°119.2°
C15C19C18H192121.9°119.2°
C15C19H191H192122.1°121.5°
C19C15OAFHAF109.5°64.1°
C15C19C18H181123.9°94.3°
C15C19C18H182118.7°142.5°
OAFC15C19C18151.9°122.4°
OAFC15C19H19188.1°118.3°
OAFC15C19H19229.9°3.2°
C18C17CAWH17108.7°127.4°
C17C18C19H181120.0°118.4°
C17C18C19H182122.6°118.4°
C18C17CAWHAW77.8°57.8°
C17C18C19H191123.9°95.2°
C17C18C19H192118.1°143.3°
C17C18H181H182122.9°123.2°
CAWC17C18C19154.6°156.6°
C17CAWC8H848.6°57.8°
C17CAWC10H10162.4°52.9°
C17CAWC10H10258.0°67.6°
CAWC17C18H18134.6°38.2°
CAWC17C18H18282.8°85.0°
C18C19C15H1591.5°115.5°
C19C18C17H1798.8°75.7°
C18C19H191H192122.1°121.5°
C19C18H181H182122.9°123.2°
H8C8C12H12163.3°58.8°
H8C8C12H122176.1°178.1°
H8C8CAWHAW169.3°177.8°
H111C11C10H10154.9°48.1°
H111C11C10H102175.2°168.8°
H112C11C10H10166.0°71.0°
H112C11C10H10254.4°49.7°
H71CC7H72CH73C120.0°120.0°
H121C12C13H13147.4°57.7°
H121C12C13H13274.2°63.1°
H122C12C13H131168.1°177.1°
H122C12C13H13246.5°56.3°
HAWCAWC10H10158.0°70.2°
HAWCAWC10H102178.3°169.2°
HAWCAWC17H17173.5°174.7°
H15C15C19H19128.5°3.8°
H15C15C19H192146.6°125.3°
H15C15OAFHAF129.9°58.0°
H161C16H162H163120.0°120.0°
H17C17C18H181141.2°165.9°
H17C17C18H18223.8°42.7°
H191C19C18H181116.2°146.4°
H191C19C18H1821.3°23.3°
H192C19C18H1811.9°24.9°
H192C19C18H182119.4°98.3°

222624

PDB entries from 2024-07-17

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