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CA4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C4C3sing1.48Å1.39Å
C4C5doub1.35Å1.39Å
C4H4sing1.08Å1.08Å
C14C13sing1.55Å1.53Å
C14C15sing1.53Å1.53Å
C14C8sing1.53Å1.53Å
C14H14sing1.10Å1.10Å
C5C6sing1.47Å1.39Å
C5C10sing1.55Å1.53Å
C6C7doub1.34Å1.39Å
C6CL6sing1.74Å1.73Å
C11C12sing1.54Å1.53Å
C11C9sing1.55Å1.53Å
C11H111sing1.09Å1.10Å
C11H112sing1.10Å1.10Å
C7C8sing1.50Å1.53Å
C7H7sing1.09Å1.08Å
C8C9sing1.56Å1.53Å
C8H8sing1.10Å1.10Å
C9C10sing1.57Å1.53Å
C9H9sing1.10Å1.10Å
C10C1sing1.53Å1.53Å
C10C19sing1.55Å1.53Å
C12C13sing1.54Å1.53Å
C12H121sing1.10Å1.10Å
C12H122sing1.10Å1.10Å
C13C17sing1.55Å1.53Å
C13C18sing1.56Å1.53Å
C3C2sing1.47Å1.53Å
C3O3doub1.22Å1.23Å
C19H191sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C19H193sing1.09Å1.10Å
C1C22sing1.51Å1.53Å
C1C2sing1.50Å1.53Å
C1H1sing1.09Å1.10Å
C22C2sing1.51Å1.53Å
C22H221sing1.08Å1.10Å
C22H222sing1.08Å1.10Å
C2H2sing1.09Å1.10Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
C18H183sing1.09Å1.10Å
C15C16sing1.54Å1.54Å
C15H151sing1.09Å1.10Å
C15H152sing1.10Å1.10Å
C16C17sing1.55Å1.53Å
C16H161sing1.10Å1.10Å
C16H162sing1.10Å1.10Å
C17O17sing1.43Å1.43Å
C17C20sing1.50Å1.53Å
C20O20doub1.23Å1.23Å
C20C21sing1.50Å1.53Å
C21H211sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
C21H213sing1.09Å1.10Å
O17C23sing1.37Å1.36Å
C23C24sing1.50Å1.53Å
C23O23doub1.22Å1.23Å
C24H241sing1.09Å1.10Å
C24H242sing1.09Å1.10Å
C24H243sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C3C4C5122.5°123.4°
C3C4H4118.7°113.9°
C4C3C2120.9°117.7°
C4C3O3119.8°121.5°
C5C4H4118.8°122.7°
C4C5C6118.7°121.7°
C4C5C10121.4°122.1°
C13C14C15101.3°103.2°
C13C14C8111.2°112.4°
C13C14H14116.6°108.8°
C14C13C12109.9°108.0°
C14C13C1798.1°99.5°
C14C13C18111.0°113.4°
C15C14C8117.1°119.3°
C15C14H14110.6°106.0°
C14C15C16102.8°104.4°
C14C15H151111.7°112.0°
C14C15H152113.1°111.6°
C8C14H14100.7°106.7°
C14C8C7112.7°113.8°
C14C8C9107.6°107.8°
C14C8H8108.8°108.7°
C6C5C10118.7°116.1°
C5C6C7121.4°123.0°
C5C6CL6119.2°120.1°
C5C10C9107.6°108.1°
C5C10C1114.3°113.9°
C5C10C19106.3°107.3°
C7C6CL6119.4°116.8°
C6C7C8121.6°123.9°
C6C7H7119.2°119.4°
C12C11C9110.8°112.3°
C12C11H111109.0°109.9°
C12C11H112108.8°107.4°
C11C12C13109.3°112.1°
C11C12H121109.5°107.8°
C11C12H122109.6°109.4°
C9C11H111109.1°110.4°
C9C11H112108.8°110.2°
C11C9C8110.4°110.8°
C11C9C10112.6°115.7°
C11C9H9106.7°104.9°
H111C11H112110.4°106.4°
C8C7H7119.2°116.6°
C7C8C9110.0°111.0°
C7C8H8106.3°105.6°
C9C8H8111.6°110.0°
C8C9C10109.6°111.4°
C8C9H9109.9°107.1°
C10C9H9107.5°106.1°
C9C10C1110.5°109.1°
C9C10C19110.6°112.0°
C1C10C19107.7°106.4°
C10C1C22118.9°122.8°
C10C1C2117.7°119.2°
C10C1H192.1°112.6°
C10C19H191109.5°110.6°
C10C19H192109.4°110.6°
C10C19H193109.5°110.6°
C13C12H121109.5°110.5°
C13C12H122109.6°110.5°
C12C13C17115.5°116.6°
C12C13C18110.1°109.2°
H121C12H122109.4°106.3°
C17C13C18111.8°110.0°
C13C17C16101.5°104.2°
C13C17O17108.3°111.1°
C13C17C20111.9°114.8°
C13C18H181109.5°110.6°
C13C18H182109.5°110.6°
C13C18H183109.5°110.5°
C2C3O3119.3°120.9°
C3C2C1117.6°120.2°
C3C2C22111.8°118.7°
C3C2H296.2°114.7°
H191C19H192109.5°108.4°
H191C19H193109.5°108.4°
H192C19H193109.5°108.3°
C22C1C260.1°60.3°
C22C1H1134.5°115.9°
C1C22C260.0°59.6°
C1C22H221130.9°119.0°
C1C22H222136.0°117.5°
C2C1H1135.5°116.8°
C1C2C2259.9°60.1°
C1C2H2132.8°115.8°
C2C22H221130.9°119.0°
C2C22H222136.0°117.5°
C22C2H2137.8°116.6°
H221C22H22274.7°113.9°
H181C18H182109.4°108.4°
H181C18H183109.5°108.3°
H182C18H183109.5°108.4°
C16C15H151111.8°110.9°
C16C15H152113.1°110.5°
C15C16C17106.1°106.2°
C15C16H161110.6°109.3°
C15C16H162111.3°109.9°
H151C15H152104.5°107.5°
C17C16H161110.6°112.2°
C17C16H162111.3°111.6°
C16C17O17110.3°109.4°
C16C17C20112.3°113.1°
H161C16H162106.9°107.6°
O17C17C20112.0°104.4°
C17O17C23113.7°115.7°
C17C20O20120.3°121.6°
C17C20C21119.6°116.7°
O20C20C21120.1°121.6°
C20C21H211109.5°109.6°
C20C21H212109.4°109.5°
C20C21H213109.4°109.7°
H211C21H212109.5°110.3°
H211C21H213109.5°108.9°
H212C21H213109.5°108.9°
O17C23C24118.9°109.8°
O17C23O23121.0°126.2°
C24C23O23120.1°124.1°
C23C24H241109.5°109.8°
C23C24H242109.5°109.9°
C23C24H243109.5°109.3°
H241C24H242109.4°110.7°
H241C24H243109.5°108.6°
H242C24H243109.5°108.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C3C4C5H4180.0°178.4°
C3C4C5C6177.7°176.3°
C3C4C5C1015.4°2.7°
C4C3C2O3179.0°177.7°
C4C3C2C15.1°9.8°
C4C3C2C2261.3°60.5°
C4C3C2H2151.0°155.1°
C4C5C6C10167.3°179.1°
C4C5C6C7178.5°167.2°
C4C5C6CL60.5°15.2°
C4C5C10C9151.1°138.9°
C4C5C10C128.0°17.4°
C4C5C10C1990.5°100.1°
C5C4C3C22.0°11.5°
C5C4C3O3176.9°170.8°
H4C4C5C62.3°2.1°
H4C4C5C10164.6°178.9°
H4C4C3C2178.0°167.0°
H4C4C3O33.0°10.6°
C13C14C15C8121.1°125.4°
C13C14C15H14124.3°114.3°
C13C14C8H14124.2°119.2°
C14C13C12C1157.3°55.2°
C13C14C8C7178.1°174.7°
C13C14C8C960.4°61.7°
C13C14C8H860.6°57.4°
C14C13C12C17109.8°110.9°
C14C13C12C18122.5°123.7°
C14C13C12H12162.7°65.1°
C14C13C12H122177.4°177.6°
C14C13C17C18116.5°119.3°
C14C13C18H181175.6°21.6°
C14C13C18H18255.6°98.5°
C14C13C18H18364.4°141.6°
C13C14C15C1637.3°35.7°
C13C14C15H15182.7°155.7°
C13C14C15H152159.7°83.7°
C14C13C17C1648.5°40.6°
C14C13C17O1767.6°77.1°
C14C13C17C20168.5°164.8°
C15C14C8H14120.0°119.9°
C15C14C8C762.3°53.8°
C15C14C8C9176.2°177.3°
C15C14C8H855.2°63.5°
C15C14C13C12174.5°169.3°
C15C14C13C1753.6°47.2°
C15C14C13C1863.5°69.6°
C14C15C16H151120.0°120.8°
C14C15C16H152122.4°120.1°
C14C15H151H152122.7°122.9°
C14C15C16C176.7°9.8°
C14C15C16H161126.7°131.0°
C14C15C16H162114.6°111.1°
C14C8C7C6141.8°140.0°
C14C8C9C1159.4°56.8°
C14C8C7C9120.1°121.8°
C14C8C7H8119.0°119.1°
C14C8C7H738.2°43.1°
C14C8C9H8119.2°118.3°
C14C8C9C10175.9°172.8°
C14C8C9H958.0°57.1°
C8C14C13C1260.3°60.9°
C8C14C13C17178.7°177.1°
C8C14C13C1861.6°60.3°
C8C14C15C16158.4°161.1°
C8C14C15H15138.4°78.8°
C8C14C15H15279.2°41.7°
H14C14C8C757.7°66.1°
H14C14C8C963.8°57.4°
H14C14C8H8175.2°176.6°
H14C14C13C1254.3°57.0°
H14C14C13C1766.6°65.0°
H14C14C13C18176.3°178.2°
H14C14C15C1687.0°78.6°
H14C14C15H151153.0°41.4°
H14C14C15H15235.4°162.0°
C5C6C7CL6178.0°177.7°
C5C6C7C80.4°0.1°
C5C6C7H7179.6°176.7°
C6C5C10C942.0°40.2°
C6C5C10C1165.1°161.7°
C6C5C10C1976.4°80.8°
C10C5C6C711.2°11.9°
C10C5C6CL6166.8°165.7°
C5C10C9C11174.1°173.9°
C5C10C9C862.5°58.3°
C5C10C9C1125.3°124.5°
C5C10C9C19115.6°118.0°
C5C10C9H956.9°58.0°
C5C10C1C19117.8°118.0°
C5C10C19H191177.1°40.1°
C5C10C19H19257.2°79.9°
C5C10C19H19362.9°160.1°
C5C10C1C2245.6°53.4°
C5C10C1C223.7°18.2°
C5C10C1H1169.3°160.5°
C6C7C8H7180.0°176.9°
C6C7C8C921.7°18.2°
C6C7C8H899.2°100.9°
CL6C6C7C8177.6°177.8°
CL6C6C7H72.4°1.0°
C12C11C9H111120.0°123.1°
C12C11C9H112119.5°119.7°
C12C11H111H112119.5°116.0°
C12C11C9C859.4°54.2°
C12C11C9C10177.6°177.7°
C12C11C9H959.9°61.1°
C11C12C13H121120.0°120.3°
C11C12C13H122120.1°122.3°
C11C12H121H122120.1°117.3°
C11C12C13C17167.1°166.1°
C11C12C13C1865.2°68.5°
C9C11H111H112119.5°119.6°
C11C9C8C7177.5°178.0°
C11C9C8C10124.7°130.4°
C11C9C8H9117.4°113.9°
C11C9C8H859.8°61.5°
C11C9C10H9117.2°115.9°
C11C9C10C148.8°49.5°
C11C9C10C1970.2°68.0°
C9C11C12C1357.4°53.9°
C9C11C12H12162.6°68.0°
C9C11C12H122177.4°176.8°
H111C11C9C860.6°68.9°
H111C11C9C1062.3°59.2°
H111C11C9H9179.9°175.8°
H111C11C12C1362.7°69.5°
H111C11C12H121177.3°168.7°
H111C11C12H12257.4°53.5°
H112C11C9C8178.9°173.9°
H112C11C9C1058.1°58.0°
H112C11C9H959.6°58.6°
H112C11C12C13176.8°175.2°
H112C11C12H12156.9°53.4°
H112C11C12H12263.1°61.9°
C7C8C9H8117.7°116.5°
C7C8C9C1052.8°47.6°
C7C8C9H965.1°68.1°
H7C7C8C9158.3°164.9°
H7C7C8H880.8°76.0°
C8C9C10H9119.4°116.3°
C8C9C10C1172.1°177.2°
C8C9C10C1953.1°59.7°
H8C8C9C1064.9°68.9°
H8C8C9H9177.2°175.4°
C9C10C1C19120.8°121.0°
C9C10C19H19166.4°158.6°
C9C10C19H192173.6°38.6°
C9C10C19H19353.5°81.4°
C9C10C1C2275.9°67.6°
C9C10C1C2145.2°139.1°
C9C10C1H169.3°78.6°
H9C9C10C168.4°66.5°
H9C9C10C19172.5°176.0°
C10C1C2C38.8°5.4°
C1C10C19H19154.3°82.2°
C1C10C19H19265.7°157.8°
C1C10C19H193174.3°37.8°
C10C1C22C2107.1°107.5°
C10C1C22H1126.8°145.1°
C10C1C2H1126.3°140.8°
C10C1C22H221132.9°1.1°
C10C1C22H22219.6°145.2°
C10C1C2H2121.9°139.5°
C10C19H191H192120.0°121.3°
C10C19H191H193120.0°121.4°
C10C19H192H193120.0°121.3°
C19C10C1C22163.3°171.4°
C19C10C1C294.0°99.9°
C19C10C1H151.5°42.4°
C13C12H121H122120.1°119.9°
C12C13C17C18126.8°125.0°
C12C13C18H18153.7°98.8°
C12C13C18H18266.3°141.1°
C12C13C18H183173.7°21.1°
C12C13C17C16165.2°156.3°
C12C13C17O1749.1°38.6°
C12C13C17C2074.8°79.5°
H121C12C13C1747.1°45.8°
H121C12C13C18174.8°171.2°
H122C12C13C1772.8°71.6°
H122C12C13C1854.9°53.8°
C17C13C18H18176.0°132.0°
C17C13C18H182164.0°12.0°
C17C13C18H18344.0°108.0°
C13C17C16C1526.2°19.7°
C13C17C16O17114.6°118.8°
C13C17C16C20119.7°125.3°
C13C17C16H16193.8°99.6°
C13C17C16H162147.4°139.5°
C13C17O17C20123.8°124.3°
C13C17C20O2087.6°119.5°
C13C17C20C2193.9°60.7°
C13C17O17C23179.2°175.7°
C13C18H181H182120.0°121.4°
C13C18H181H183120.0°121.3°
C13C18H182H183120.0°121.3°
C18C13C17C1668.0°78.7°
C18C13C17O17175.9°163.6°
C18C13C17C2052.0°45.5°
C3C2C22C1110.2°110.3°
C3C2C1H2130.6°144.9°
C3C2C1H1135.0°146.2°
C3C2C22H2127.8°143.8°
C3C2C22H221129.8°1.9°
C3C2C22H22216.4°142.3°
O3C3C2C1173.9°172.6°
O3C3C2C22119.8°117.2°
O3C3C2H228.0°27.3°
H191C19H192H193120.0°117.4°
C22C1C2H1124.6°105.9°
C1C22C2H221120.0°108.5°
C1C22C2H222126.7°107.4°
C1C22H221H222138.6°145.4°
C22C1C2H2129.0°107.2°
H1C1C22H2216.1°144.0°
H1C1C22H222107.2°0.1°
H1C1C2H24.4°1.3°
C2C22H221H222138.6°145.4°
H221C22C2H21.9°145.7°
H222C22C2H2111.4°1.5°
H181C18H182H183120.0°117.4°
C16C15H151H152122.7°120.9°
C15C16C17H161120.0°119.4°
C15C16C17H162121.3°119.8°
C15C16H161H162121.4°119.3°
C15C16C17O1788.5°99.1°
C15C16C17C20145.8°145.0°
H151C15C16C17113.3°130.6°
H151C15C16H1616.7°108.2°
H151C15C16H162125.4°9.7°
H152C15C16C17129.1°110.3°
H152C15C16H161110.9°10.9°
H152C15C16H1627.8°128.8°
C17C16H161H162121.4°123.1°
C16C17O17C20125.9°121.3°
C16C17C20O20159.0°0.1°
C16C17C20C2119.6°180.0°
C16C17O17C2370.5°61.2°
H161C16C17O17151.5°141.5°
H161C16C17C2025.8°25.7°
H162C16C17O1732.8°20.7°
H162C16C17C2092.9°95.1°
O17C17C20O2034.2°118.7°
O17C17C20C21144.4°61.1°
C17O17C23C24177.8°179.9°
C17O17C23O231.2°0.0°
C17C20O20C21178.6°179.8°
C17C20C21H211107.5°60.5°
C17C20C21H212132.5°60.6°
C17C20C21H21312.4°180.0°
C20C17O17C2355.4°60.0°
O20C20C21H21171.1°119.3°
O20C20C21H21248.9°119.6°
O20C20C21H213169.0°0.2°
C20C21H211H212120.0°120.6°
C20C21H211H213119.9°120.0°
C20C21H212H213120.0°119.9°
H211C21H212H213120.0°119.4°
O17C23C24O23179.0°180.0°
O17C23C24H24178.3°61.4°
O17C23C24H24241.6°60.6°
O17C23C24H243161.7°179.6°
C23C24H241H242120.0°121.5°
C23C24H241H243120.0°119.5°
C23C24H242H243120.0°119.5°
O23C23C24H241102.6°118.7°
O23C23C24H242137.4°119.3°
O23C23C24H24317.4°0.4°
H241C24H242H243120.0°119.0°

224931

PDB entries from 2024-09-11

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