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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C2sing1.43Å1.44Å
O1HO1sing0.97Å0.95Å
C2C3sing1.53Å1.52Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
C5C3sing1.54Å1.52Å
O4C3sing1.44Å1.47Å
C3H3sing1.09Å1.10Å
C9O4sing1.44Å1.41Å
C5C7sing1.55Å1.55Å
C5O6sing1.43Å1.45Å
C5H5sing1.09Å1.10Å
P18O6sing1.61Å1.61Å
C9C7sing1.55Å1.55Å
C7O8sing1.43Å1.43Å
C7H7sing1.09Å1.10Å
O8HO8sing0.97Å0.95Å
N10C9sing1.47Å1.58Å
C9H9sing1.09Å1.10Å
C15N10sing1.36Å1.38Å
C11N10sing1.35Å1.40Å
N12C11sing1.33Å1.36Å
C11O16doub1.22Å1.24Å
C13N12doub1.33Å1.34Å
N17C13sing1.38Å1.33Å
C13C14sing1.41Å1.43Å
C14C15doub1.35Å1.35Å
C14H14sing1.08Å1.08Å
C15H15sing1.08Å1.08Å
N17HN17sing0.97Å1.00Å
N17HN1Asing0.97Å1.00Å
S20P18sing2.12Å1.52Å
P18O19doub1.48Å1.48Å
P18O21sing1.61Å1.59Å
S20HS20sing1.35Å1.30Å
O21C22sing1.43Å1.43Å
C22C23sing1.53Å1.52Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
C23C25sing1.54Å1.54Å
C23O24sing1.44Å1.47Å
C23H23sing1.09Å1.10Å
O24C29sing1.44Å1.41Å
C25O26sing1.43Å1.42Å
C25C27sing1.54Å1.53Å
C25H25sing1.09Å1.10Å
O26HO26sing0.97Å0.95Å
C27C29sing1.54Å1.53Å
C27O28sing1.43Å1.43Å
C27H27sing1.09Å1.10Å
O28HO28sing0.97Å0.95Å
C29N30sing1.46Å1.57Å
C29H29sing1.09Å1.10Å
C35N30sing1.37Å1.38Å
N30C31sing1.35Å1.38Å
C31N32sing1.35Å1.39Å
C31O36doub1.22Å1.22Å
C33N32sing1.35Å1.38Å
C34C33sing1.42Å1.45Å
C33O37doub1.22Å1.23Å
C35C34doub1.35Å1.35Å
C34H34sing1.08Å1.08Å
C35H35sing1.08Å1.08Å
N32HN32sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2O1HO1109.5°114.0°
O1C2C3109.8°109.5°
O1C2H2109.4°109.5°
O1C2H2A109.4°109.5°
C3C2H2109.4°109.5°
C3C2H2A109.4°109.5°
C2C3C5114.9°109.9°
C2C3O4111.9°109.9°
C2C3H3108.3°109.9°
H2C2H2A109.5°109.4°
C5C3O4104.4°107.4°
C5C3H3108.3°109.9°
C3C5C799.8°104.2°
C3C5O6110.0°110.5°
C3C5H5109.0°110.5°
O4C3H3108.9°109.9°
C3O4C9110.8°107.0°
O4C9C7104.8°103.5°
O4C9N10111.7°110.6°
O4C9H9110.3°110.6°
C7C5O6118.7°110.5°
C7C5H5108.7°110.5°
C5C7C9101.7°102.1°
C5C7O8117.2°110.9°
C5C7H7108.8°110.9°
O6C5H5110.0°110.5°
C5O6P18117.5°123.0°
O6P18S20107.6°109.5°
O6P18O19119.7°109.5°
O6P18O2190.7°109.4°
C9C7O8109.3°111.0°
C9C7H7108.8°110.9°
C7C9N10113.2°110.8°
C7C9H9108.6°110.5°
O8C7H7110.5°110.8°
C7O8HO8109.5°114.0°
N10C9H9108.1°110.6°
C9N10C15120.7°119.9°
C9N10C11118.6°119.8°
C15N10C11120.2°120.4°
N10C15C14120.8°119.3°
N10C15H15119.6°120.4°
N10C11N12119.3°121.0°
N10C11O16118.4°119.5°
N12C11O16122.2°119.5°
C11N12C13120.4°120.7°
N12C13N17117.1°120.2°
N12C13C14121.6°119.6°
N17C13C14121.2°120.2°
C13N17HN17120.0°120.0°
C13N17HN1A120.0°120.0°
C13C14C15117.5°119.0°
C13C14H14121.2°120.5°
C15C14H14121.2°120.5°
C14C15H15119.6°120.3°
HN17N17HN1A120.0°120.0°
S20P18O19119.9°109.5°
S20P18O21109.3°109.5°
P18S20HS20102.0°103.0°
O19P18O21105.1°109.5°
P18O21C22125.5°122.9°
O21C22C23108.6°109.5°
O21C22H22109.7°109.5°
O21C22H22A109.7°109.5°
C23C22H22109.7°109.5°
C23C22H22A109.7°109.5°
C22C23C25116.4°110.4°
C22C23O24111.3°110.4°
C22C23H23107.6°110.3°
H22C22H22A109.5°109.5°
C25C23O24105.6°104.8°
C25C23H23107.4°110.3°
C23C25O26109.9°110.5°
C23C25C27102.2°104.1°
C23C25H25109.8°110.5°
O24C23H23108.2°110.5°
C23O24C29109.9°105.3°
O24C29C27105.7°104.8°
O24C29N30111.6°110.4°
O24C29H29109.1°110.3°
O26C25C27113.0°110.5°
O26C25H25111.6°110.5°
C25O26HO26109.5°114.0°
C27C25H25109.9°110.7°
C25C27C29101.7°104.1°
C25C27O28114.0°110.5°
C25C27H27110.6°110.5°
C29C27O28107.2°110.5°
C29C27H27110.7°110.5°
C27C29N30115.4°110.4°
C27C29H29107.7°110.4°
O28C27H27112.1°110.6°
C27O28HO28109.5°114.0°
N30C29H29107.2°110.4°
C29N30C35118.6°119.7°
C29N30C31118.6°119.7°
C35N30C31122.8°120.6°
N30C35C34120.6°119.7°
N30C35H35119.7°120.1°
N30C31N32114.8°120.9°
N30C31O36122.1°119.6°
N32C31O36123.1°119.5°
C31N32C33126.4°120.3°
C31N32HN32116.8°119.9°
N32C33C34114.8°119.4°
N32C33O37120.6°120.3°
C33N32HN32116.8°119.8°
C34C33O37124.7°120.3°
C33C34C35120.6°119.1°
C33C34H34119.7°120.4°
C35C34H34119.7°120.4°
C34C35H35119.7°120.2°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C2C3H2120.1°120.1°
O1C2C3H2A120.0°120.0°
O1C2H2H2A119.9°120.0°
O1C2C3C566.0°175.3°
O1C2C3O452.8°66.7°
O1C2C3H3172.8°54.3°
HO1O1C2C3180.0°179.9°
HO1O1C2H259.9°59.9°
HO1O1C2H2A60.0°60.0°
C3C2H2H2A119.8°119.9°
C2C3C5O4122.9°119.5°
C2C3C5H3121.2°121.0°
C2C3O4H3119.7°121.0°
C2C3O4C9142.8°146.0°
C2C3C5C7159.7°121.4°
C2C3C5O674.7°119.9°
C2C3C5H545.9°2.8°
H2C2C3C554.1°64.7°
H2C2C3O4172.8°53.3°
H2C2C3H367.1°174.3°
H2AC2C3C5174.0°55.2°
H2AC2C3O467.3°173.2°
H2AC2C3H352.8°65.8°
C5C3O4H3115.5°119.5°
C5C3O4C918.0°26.5°
C3C5C7O6119.3°118.7°
C3C5C7H5114.0°118.7°
C3C5O6H5120.1°122.6°
C3C5O6P18178.6°121.4°
C3C5C7C941.8°20.9°
C3C5C7O877.4°139.1°
C3C5C7H7156.5°97.4°
O4C3C5C736.8°2.0°
O4C3C5O6162.4°120.7°
O4C3C5H576.9°116.7°
C3O4C9C79.3°39.9°
C3O4C9N10113.6°158.6°
C3O4C9H9126.0°78.4°
H3C3O4C997.5°93.0°
H3C3C5C779.1°117.6°
H3C3C5O646.5°1.1°
H3C3C5H5167.2°123.8°
O4C9C7C532.3°37.0°
O4C9C7N10122.0°118.6°
O4C9C7H9117.9°118.4°
O4C9C7O892.3°155.1°
O4C9C7H7147.0°81.2°
O4C9N10H9121.6°123.0°
O4C9N10C1524.8°126.7°
O4C9N10C11162.8°53.5°
C7C5O6H5126.0°122.6°
C7C5O6P1867.5°123.8°
C5C7C9O8124.6°118.2°
C5C7C9H7114.7°118.2°
C5C7O8H7125.3°123.6°
C5C7O8HO8180.0°180.0°
C5C7C9N1089.7°155.5°
C5C7C9H9150.3°81.5°
O6C5C7C9161.1°97.8°
O6C5C7O842.0°20.4°
O6C5C7H784.2°144.0°
C5O6P18S2061.3°65.0°
C5O6P18O1980.4°55.0°
C5O6P18O21171.8°175.0°
H5C5O6P1858.5°1.2°
H5C5C7C972.3°139.5°
H5C5C7O8168.6°102.2°
H5C5C7H742.4°21.3°
O6P18S20O19141.5°120.0°
O6P18S20O2197.1°119.9°
O6P18O19O2199.7°119.9°
O6P18S20HS20141.5°60.0°
O6P18O21C2254.1°175.0°
C9C7O8H7119.7°123.7°
C9C7O8HO865.1°67.3°
C7C9N10H9120.3°122.9°
C7C9N10C1593.3°119.1°
C7C9N10C1179.1°60.6°
O8C7C9N10145.7°86.3°
O8C7C9H925.7°36.7°
H7C7O8HO854.6°56.4°
H7C7C9N1025.0°37.3°
H7C7C9H995.0°160.3°
C9N10C15C11172.3°179.7°
C9N10C11N12175.7°180.0°
C9N10C11O166.1°0.0°
C9N10C15C14174.9°179.7°
C9N10C15H155.1°0.2°
H9C9N10C15146.4°3.7°
H9C9N10C1141.2°176.5°
C15N10C11N123.2°0.3°
C15N10C11O16178.6°179.7°
N10C15C14C130.6°0.5°
N10C15C14H15180.0°179.6°
N10C15C14H14179.5°179.7°
N10C11N12O16178.2°180.0°
N10C11N12C131.8°0.0°
C11N10C15C142.6°0.5°
C11N10C15H15177.4°179.9°
C11N12C13N17178.9°180.0°
C11N12C13C140.2°0.0°
O16C11N12C13180.0°180.0°
N12C13N17C14178.7°180.0°
N12C13C14C150.8°0.2°
N12C13C14H14179.1°180.0°
N12C13N17HN170.0°0.0°
N12C13N17HN1A180.0°179.9°
N17C13C14C15179.4°179.8°
N17C13C14H140.5°0.0°
C13N17HN17HN1A180.0°180.0°
C13C14C15H14180.0°179.8°
C13C14C15H15179.4°180.0°
C14C13N17HN17178.6°180.0°
C14C13N17HN1A1.3°0.0°
H14C14C15H150.6°0.1°
S20P18O19O21123.4°120.1°
S20P18O21C2254.8°65.0°
O19P18S20HS200.0°180.0°
O19P18O21C22175.2°55.0°
O21P18S20HS20121.3°60.0°
P18O21C22C23153.0°180.0°
P18O21C22H2287.1°60.0°
P18O21C22H22A33.1°60.0°
O21C22C23H22119.9°120.0°
O21C22C23H22A119.8°120.0°
O21C22H22H22A120.4°120.0°
O21C22C23C2532.9°175.0°
O21C22C23O2488.2°69.6°
O21C22C23H23153.4°52.8°
C23C22H22H22A120.4°120.0°
C22C23C25O24124.1°118.8°
C22C23C25H23120.6°122.2°
C22C23O24H23118.0°122.3°
C22C23O24C29125.1°159.3°
C22C23C25O26140.4°98.5°
C22C23C25C2799.4°142.8°
C22C23C25H2517.3°24.0°
H22C22C23C2587.0°65.0°
H22C22C23O24151.9°50.4°
H22C22C23H2333.5°172.8°
H22AC22C23C25152.7°55.0°
H22AC22C23O2431.6°170.4°
H22AC22C23H2386.8°67.2°
C25C23O24H23114.7°118.9°
C25C23O24C292.2°40.5°
C23C25O26C27113.4°114.6°
C23C25O26H25122.1°122.6°
C23C25C27H25116.6°118.7°
C23C25O26HO26180.0°180.0°
C23C25C27C2936.4°0.0°
C23C25C27O28151.4°118.7°
C23C25C27H2781.1°118.7°
O24C23C25O2695.5°142.6°
O24C23C25C2724.7°24.0°
O24C23C25H25141.4°94.8°
C23O24C29C2721.7°40.5°
C23O24C29N30147.9°159.4°
C23O24C29H2993.9°78.3°
H23C23O24C29116.9°78.4°
H23C23C25O2619.8°23.7°
H23C23C25C27140.0°95.0°
H23C23C25H25103.3°146.2°
O24C29C27C2536.6°24.0°
O24C29C27N30123.8°118.8°
O24C29C27H29116.5°118.8°
O24C29C27O28156.5°142.6°
O24C29C27H2781.0°94.7°
O24C29N30H29119.4°122.2°
O24C29N30C3574.9°53.3°
O24C29N30C31104.6°126.5°
O26C25C27H25125.4°122.7°
O26C25C27C2981.6°118.6°
O26C25C27O2833.4°0.0°
O26C25C27H27160.8°122.7°
C27C25O26HO2666.5°65.4°
C25C27C29O28119.9°118.6°
C25C27C29H27117.6°118.7°
C25C27O28H27126.7°122.6°
C25C27O28HO28180.0°61.5°
C25C27C29N30160.4°142.8°
C25C27C29H2980.0°94.8°
H25C25O26HO2657.9°57.4°
H25C25C27C29153.0°118.7°
H25C25C27O2892.0°122.7°
H25C25C27H2735.5°0.0°
C29C27O28H27121.6°122.7°
C29C27O28HO2868.3°176.1°
C27C29N30H29119.9°122.4°
C27C29N30C3545.8°62.1°
C27C29N30C31134.7°118.1°
O28C27C29N3079.7°98.5°
O28C27C29H2939.9°23.8°
H27C27O28HO2853.3°61.2°
H27C27C29N3042.8°24.2°
H27C27C29H29162.5°146.5°
C29N30C35C31179.6°179.8°
C29N30C31N32179.4°180.0°
C29N30C31O360.2°0.0°
C29N30C35C34179.6°179.7°
C29N30C35H350.4°0.1°
H29C29N30C35165.7°175.6°
H29C29N30C3114.8°4.2°
C35N30C31N321.1°0.2°
C35N30C31O36179.8°179.7°
N30C35C34C330.8°0.5°
N30C35C34H35180.0°179.8°
N30C35C34H34179.2°179.8°
N30C31N32O36179.1°180.0°
N30C31N32C331.5°0.0°
C31N30C35C340.0°0.5°
C31N30C35H35180.0°179.7°
N30C31N32HN32178.5°179.9°
C31N32C33HN32180.0°179.9°
C31N32C33C340.8°0.0°
C31N32C33O37178.7°180.0°
O36C31N32C33179.4°180.0°
O36C31N32HN320.7°0.1°
N32C33C34O37179.5°180.0°
N32C33C34C350.4°0.3°
N32C33C34H34179.5°180.0°
C33C34C35H34180.0°179.7°
C33C34C35H35179.2°179.7°
C34C33N32HN32179.2°179.9°
O37C33C34C35179.9°179.8°
O37C33C34H340.1°0.1°
O37C33N32HN321.3°0.1°
H34C34C35H350.8°0.0°

222415

PDB entries from 2024-07-10

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