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21J

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C13C12doub1.39Å1.35ÅAromatic
C13O14sing1.37Å1.37Å
C13C19sing1.39Å1.45ÅAromatic
C15C17sing1.53Å1.51Å
C15O14sing1.44Å1.39Å
C15C16sing1.53Å1.46Å
C15O18sing1.44Å1.37Å
C21C22sing1.38Å1.40ÅAromatic
C21C19doub1.38Å1.38ÅAromatic
C22C11doub1.39Å1.41ÅAromatic
C22CL2sing1.74Å1.73Å
C26C04sing1.53Å1.48Å
C26C25sing1.53Å1.46Å
C28C27sing1.53Å1.54Å
O01S02doub1.42Å1.45Å
S02N03sing1.66Å1.67Å
S02C27sing1.81Å1.80Å
S02O29doub1.42Å1.43Å
N03C04sing1.47Å1.46Å
C04C05sing1.53Å1.49Å
C05C06sing1.53Å1.50Å
C06N07sing1.47Å1.44Å
N07C08sing1.35Å1.46Å
N07C25sing1.47Å1.45Å
C08C09sing1.51Å1.52Å
C08O24doub1.21Å1.23Å
C09O10sing1.43Å1.42Å
O10C11sing1.36Å1.43Å
C11C12sing1.39Å1.44ÅAromatic
C12O18sing1.37Å1.37Å
C19CL1sing1.74Å1.76Å
C17H171sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C17H173sing1.09Å1.10Å
C21H211sing1.08Å1.08Å
C26H261sing1.09Å1.10Å
C26H262sing1.09Å1.10Å
C28H282sing1.09Å1.10Å
C28H283sing1.09Å1.10Å
C28H1sing1.09Å1.10Å
N03H031sing0.97Å1.00Å
C04H041sing1.09Å1.10Å
C05H051sing1.09Å1.10Å
C05H052sing1.09Å1.10Å
C06H061sing1.09Å1.10Å
C06H062sing1.09Å1.10Å
C09H091sing1.09Å1.10Å
C09H092sing1.09Å1.10Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C16H163sing1.09Å1.10Å
C25H251sing1.09Å1.10Å
C25H252sing1.09Å1.10Å
C27H271sing1.09Å1.10Å
C27H272sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C12C13O14108.7°108.7°
C12C13C19118.4°119.9°
C13C12C11121.4°119.8°
C13C12O18108.3°108.7°
O14C13C19132.9°131.5°
C13O14C15107.1°105.5°
C13C19C21121.7°120.1°
C13C19CL1118.7°120.0°
C17C15O14113.2°110.6°
C17C15C16110.0°110.6°
C17C15O18108.1°110.6°
C15C17H171109.5°109.5°
C15C17H172109.5°109.5°
C15C17H173109.5°109.5°
O14C15C16110.6°110.5°
O14C15O18107.1°103.7°
C16C15O18107.7°110.8°
C15C16H161109.5°109.5°
C15C16H162109.4°109.4°
C15C16H163109.5°109.4°
C15O18C12108.1°105.5°
C22C21C19119.1°120.1°
C21C22C11120.6°120.1°
C21C22CL2115.1°120.0°
C22C21H211120.5°119.9°
C21C19CL1119.6°119.9°
C19C21H211120.4°120.0°
C11C22CL2124.2°119.9°
C22C11O10124.9°120.1°
C22C11C12118.8°119.9°
C04C26C25107.5°109.3°
C26C04N03107.5°109.5°
C26C04C05113.9°109.5°
C04C26H261110.0°109.5°
C04C26H262109.9°109.5°
C26C04H041106.8°109.5°
C26C25N07107.0°108.8°
C25C26H261110.0°109.5°
C25C26H262110.0°109.5°
C26C25H251110.1°109.5°
C26C25H252110.1°109.6°
C28C27S02117.1°109.5°
C27C28H282109.5°109.5°
C27C28H283109.5°109.4°
C27C28H1109.5°109.5°
C28C27H271107.5°109.5°
C28C27H272107.5°109.4°
O01S02N03111.3°104.3°
O01S02C27110.2°110.5°
O01S02O29104.2°121.0°
N03S02C27111.9°104.5°
N03S02O29108.9°104.3°
S02N03C04110.8°120.0°
S02N03H031109.2°120.0°
C27S02O29110.1°110.5°
S02C27H271107.5°109.5°
S02C27H272107.5°109.5°
N03C04C05114.5°109.4°
C04N03H031109.2°120.0°
N03C04H041107.1°109.4°
C04C05C06117.0°109.3°
C05C04H041106.6°109.5°
C04C05H051107.5°109.5°
C04C05H052107.5°109.5°
C05C06N07114.7°108.8°
C06C05H051107.6°109.5°
C06C05H052107.5°109.5°
C05C06H061108.2°109.5°
C05C06H062108.2°109.6°
C06N07C08122.9°120.6°
C06N07C25113.9°118.7°
N07C06H061108.1°109.6°
N07C06H062108.1°109.6°
C08N07C25123.2°120.6°
N07C08C09119.5°120.0°
N07C08O24120.7°120.0°
N07C25H251110.1°109.6°
N07C25H252110.1°109.6°
C09C08O24119.8°120.0°
C08C09O10112.3°109.5°
C08C09H091108.8°109.5°
C08C09H092108.8°109.4°
C09O10C11119.7°117.0°
O10C09H091108.7°109.5°
O10C09H092108.7°109.5°
O10C11C12116.4°120.0°
C11C12O18130.2°131.5°
H171C17H172109.5°109.4°
H171C17H173109.4°109.5°
H172C17H173109.5°109.5°
H261C26H262109.5°109.5°
H282C28H283109.5°109.4°
H282C28H1109.4°109.5°
H283C28H1109.4°109.5°
H051C05H052109.5°109.5°
H061C06H062109.5°109.7°
H091C09H092109.5°109.5°
H161C16H162109.5°109.5°
H161C16H163109.5°109.5°
H162C16H163109.5°109.4°
H251C25H252109.4°109.7°
H271C27H272109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C12C13O14C19179.4°179.7°
C12C13O14C155.1°17.3°
C13C12O18C154.7°17.3°
C12C13C19C210.3°0.1°
C13C12C11C220.2°0.4°
C13C12C11O10179.8°180.0°
C13C12C11O18179.8°179.9°
C12C13C19CL1179.0°180.0°
C13O14C15C17111.2°145.6°
C13O14C15C16124.9°91.6°
C13O14C15O187.9°27.1°
O14C13C19C21179.7°179.7°
O14C13C12C11179.9°180.0°
O14C13C12O180.3°0.0°
O14C13C19CL10.4°0.4°
C19C13O14C15175.5°163.1°
C13C19C21C220.2°0.1°
C13C19C21CL1179.3°179.9°
C19C13C12C110.4°0.2°
C19C13C12O18179.8°179.7°
C13C19C21H211179.8°179.8°
C17C15O14C16123.9°122.8°
C17C15O14O18119.1°118.5°
C17C15C16O18117.6°122.9°
C17C15O18C12114.5°145.7°
C15C17H171H172120.0°119.9°
C15C17H171H173120.0°120.0°
C15C17H172H173120.0°120.1°
C17C15C16H161180.0°60.0°
C17C15C16H16260.0°180.0°
C17C15C16H16360.0°60.1°
O14C15C16O18116.7°114.3°
O14C15O18C127.8°27.1°
O14C15C17H171180.0°60.7°
O14C15C17H17260.0°179.3°
O14C15C17H17360.0°59.3°
O14C15C16H16154.3°62.8°
O14C15C16H162174.3°57.3°
O14C15C16H16365.7°177.2°
C16C15O18C12126.7°91.5°
C16C15C17H17155.8°62.0°
C16C15C17H172175.8°57.9°
C16C15C17H17364.2°178.0°
C15C16H161H162120.0°120.0°
C15C16H161H163120.0°120.0°
C15C16H162H163120.0°119.9°
C15O18C12C11175.1°162.8°
O18C15C17H17161.5°175.0°
O18C15C17H17258.5°65.1°
O18C15C17H173178.5°55.0°
O18C15C16H16162.4°177.1°
O18C15C16H16257.6°57.1°
O18C15C16H163177.6°62.8°
C22C21C19H211180.0°179.8°
C21C22C11CL2179.9°179.8°
C21C22C11O10179.6°180.0°
C21C22C11C120.1°0.4°
C22C21C19CL1179.1°180.0°
C19C21C22C110.0°0.2°
C19C21C22CL2179.9°180.0°
C22C11O10C09139.1°90.0°
C22C11O10C12179.6°179.6°
C22C11C12O18180.0°179.5°
C11C22C21H211180.0°180.0°
CL2C22C11O100.3°0.3°
CL2C22C11C12179.8°179.8°
CL2C22C21H2110.1°0.2°
C04C26C25H261119.7°120.0°
C04C26C25H262119.7°119.9°
C26C04N03S02146.8°145.0°
C26C04N03C05127.6°120.1°
C26C04N03H041114.5°119.9°
C26C04C05H041117.6°120.0°
C26C04C05C0614.6°61.4°
C04C26C25N0774.1°54.7°
C04C26H261H262120.9°120.1°
C26C04N03H03193.0°35.0°
C26C04C05H051106.5°178.6°
C26C04C05H052135.6°58.6°
C04C26C25H251166.2°174.5°
C04C26C25H25245.5°65.2°
C25C26C04N03164.0°178.6°
C25C26C04C0536.1°61.4°
C26C25N07C0658.7°53.6°
C26C25N07C08119.5°126.4°
C26C25N07H251119.6°119.7°
C26C25N07H252119.6°119.8°
C25C26H261H262120.9°120.1°
C25C26C04H04181.4°58.7°
C26C25H251H252121.1°120.3°
C28C27S02O01171.8°68.4°
C28C27S02N0363.8°180.0°
C28C27S02H271121.1°120.0°
C28C27S02H272121.1°120.0°
C28C27S02O2957.5°68.4°
C27C28H282H283120.0°119.9°
C27C28H282H1120.0°120.0°
C27C28H283H1120.0°120.0°
C28C27H271H272116.5°119.9°
O01S02N03C27123.8°116.1°
O01S02N03O29114.3°127.9°
O01S02C27O29114.3°136.8°
O01S02N03C0470.6°178.9°
O01S02N03H03149.6°1.1°
O01S02C27H27167.1°51.6°
O01S02C27H27250.7°171.6°
N03S02C27O29121.2°111.6°
S02N03C04H031120.2°180.0°
S02N03C04C0585.6°94.9°
S02N03C04H04132.4°25.0°
N03S02C27H27157.4°60.0°
N03S02C27H272175.1°60.0°
C27S02N03C0453.1°65.0°
S02C27C28H282180.0°180.0°
S02C27C28H28360.0°60.0°
S02C27C28H160.0°60.0°
C27S02N03H031173.3°115.0°
S02C27H271H272116.5°120.1°
O29S02N03C04175.1°51.1°
O29S02N03H03164.7°128.9°
O29S02C27H271178.6°171.7°
O29S02C27H27263.6°51.6°
N03C04C05H041118.2°119.9°
N03C04C05C06109.7°178.6°
N03C04C26H26144.3°61.5°
N03C04C26H26276.3°58.7°
N03C04C05H051129.2°58.6°
N03C04C05H05211.4°61.5°
C04C05C06H051121.1°120.0°
C04C05C06H052121.1°119.9°
C04C05C06N0730.7°54.6°
C05C04C26H26183.7°58.5°
C05C04C26H262155.8°178.7°
C05C04N03H03134.6°85.1°
C04C05H051H052116.6°120.1°
C04C05C06H061151.5°65.1°
C04C05C06H06290.0°174.5°
C05C06N07H061120.8°119.7°
C05C06N07H062120.8°119.8°
C05C06N07C08171.8°126.4°
C05C06N07C256.3°53.6°
C06C05C04H041132.1°58.7°
C06C05H051H052116.6°120.1°
C05C06H061H062117.7°120.3°
C06N07C08C25178.0°180.0°
C06N07C08C09176.5°179.9°
C06N07C08O240.8°0.1°
N07C06C05H05190.4°174.6°
N07C06C05H052151.8°65.3°
N07C06H061H062117.6°120.4°
C06N07C25H251178.3°173.4°
C06N07C25H25261.0°66.2°
N07C08C09O24177.3°179.9°
N07C08C09O1086.2°180.0°
C08N07C06H06167.4°113.8°
C08N07C06H06251.0°6.6°
N07C08C09H09134.2°59.9°
N07C08C09H092153.4°60.0°
C08N07C25H2510.2°6.7°
C08N07C25H252120.9°113.8°
C25N07C08C091.5°0.1°
C25N07C08O24178.8°180.0°
N07C25C26H26145.6°65.3°
N07C25C26H262166.2°174.6°
C25N07C06H061114.4°66.1°
C25N07C06H062127.1°173.4°
N07C25H251H252121.1°120.4°
C08C09O10H091120.4°120.0°
C08C09O10H092120.5°119.9°
C08C09O10C1158.0°179.9°
C08C09H091H092118.7°119.9°
O24C08C09O1091.1°0.1°
O24C08C09H091148.5°120.0°
O24C08C09H09229.3°120.1°
C09O10C11C1241.4°89.6°
O10C09H091H092118.7°120.1°
O10C11C12O180.4°0.1°
C11O10C09H091178.4°60.0°
C11O10C09H09262.5°60.0°
CL1C19C21H2110.9°0.3°
H171C17H172H173120.0°120.0°
H261C26C04H041158.9°178.6°
H261C26C25H25174.0°54.5°
H261C26C25H252165.2°174.9°
H262C26C04H04138.3°61.3°
H262C26C25H25146.6°65.6°
H262C26C25H25274.2°54.8°
H282C28H283H1120.0°120.0°
H282C28C27H27158.9°59.9°
H282C28C27H27258.9°60.0°
H283C28C27H27161.1°60.0°
H283C28C27H272178.9°179.9°
H1C28C27H271178.9°180.0°
H1C28C27H27261.1°60.0°
H031N03C04H041152.6°154.9°
H041C04C05H05111.0°61.3°
H041C04C05H052106.8°178.6°
H051C05C06H06130.4°54.8°
H051C05C06H062148.9°65.6°
H052C05C06H06187.5°174.9°
H052C05C06H06231.0°54.5°
H161C16H162H163120.0°120.0°

225158

PDB entries from 2024-09-18

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