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P4S

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C16C15sing1.54Å1.53Å
C16C17sing1.55Å1.54Å
O4C4sing1.43Å1.43Å
C15C14sing1.54Å1.51Å
C15Osing1.43Å1.43Å
C17C18sing1.51Å1.50Å
C17C13sing1.55Å1.55Å
C4C3sing1.53Å1.53Å
C4C5sing1.53Å1.52Å
C22C18sing1.41Å1.40Å
C22C21doub1.36Å1.39Å
C3C2sing1.53Å1.53Å
C18C19doub1.35Å1.40Å
C21C20sing1.41Å1.40Å
C7C8sing1.53Å1.52Å
C7C6sing1.53Å1.53Å
C14C13sing1.54Å1.52Å
C14Osing1.43Å1.43Å
C14C9sing1.52Å1.55Å
C12C13sing1.53Å1.52Å
C12C11sing1.53Å1.52Å
C19O1sing1.34Å1.33Å
C20O1sing1.34Å1.38Å
C20O2doub1.22Å1.25Å
C13C23sing1.53Å1.54Å
C5C6sing1.53Å1.52Å
C10C9sing1.53Å1.54Å
C10C11sing1.53Å1.53Å
C10C1sing1.53Å1.55Å
C2C1sing1.53Å1.54Å
C8C9sing1.53Å1.54Å
C6C1sing1.53Å1.54Å
C6O3sing1.43Å1.43Å
C1Csing1.53Å1.53Å
C2H1sing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C3H3sing1.09Å1.10Å
C3H4sing1.09Å1.10Å
C4H5sing1.09Å1.10Å
C5H6sing1.09Å1.10Å
C5H7sing1.09Å1.10Å
C7H8sing1.09Å1.10Å
C7H9sing1.09Å1.10Å
O3H10sing0.97Å0.95Å
O4H11sing0.97Å0.95Å
C19H12sing1.08Å1.08Å
C21H13sing1.08Å1.08Å
C22H14sing1.08Å1.08Å
C17H15sing1.09Å1.10Å
C23H16sing1.09Å1.10Å
C23H17sing1.09Å1.10Å
C23H18sing1.09Å1.10Å
C12H19sing1.09Å1.10Å
C12H20sing1.09Å1.10Å
C11H21sing1.09Å1.10Å
C11H22sing1.09Å1.10Å
C10H23sing1.09Å1.10Å
CH24sing1.09Å1.10Å
CH25sing1.09Å1.10Å
CH26sing1.09Å1.10Å
C16H27sing1.09Å1.10Å
C16H28sing1.09Å1.10Å
C15H29sing1.09Å1.10Å
C9H30sing1.09Å1.10Å
C8H31sing1.09Å1.10Å
C8H32sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C15C16C17106.6°104.1°
C16C15C14108.3°106.1°
C16C15O115.2°118.9°
C15C16H27110.2°110.5°
C15C16H28110.2°110.5°
C16C15H29119.1°117.5°
C16C17C18113.4°111.6°
C16C17C13109.2°102.5°
C16C17H15106.1°110.2°
C17C16H27110.2°110.5°
C17C16H28110.2°110.5°
O4C4C3111.0°109.5°
O4C4C5107.6°109.5°
O4C4H5109.8°109.5°
C4O4H11109.5°114.0°
C14C15O58.2°57.4°
C15C14C13110.2°107.2°
C15C14O57.9°57.5°
C15C14C9128.9°121.7°
C14C15H29119.4°121.6°
C15OC1463.9°65.1°
OC15H29121.3°120.0°
C18C17C13114.9°110.8°
C17C18C22117.7°120.0°
C17C18C19123.4°120.0°
C18C17H15106.5°110.7°
C17C13C14105.5°103.8°
C17C13C12109.8°108.3°
C17C13C23116.6°111.5°
C13C17H15106.0°110.8°
C3C4C5111.2°109.5°
C4C3C2113.4°109.4°
C4C3H3108.5°109.5°
C4C3H4108.5°109.5°
C3C4H5108.6°109.4°
C4C5C6112.6°109.5°
C5C4H5108.7°109.5°
C4C5H6108.7°109.5°
C4C5H7108.7°109.4°
C18C22C21119.6°119.0°
C22C18C19119.0°119.9°
C18C22H14120.2°120.5°
C22C21C20119.3°119.0°
C22C21H13120.4°120.5°
C21C22H14120.2°120.5°
C3C2C1115.5°109.5°
C3C2H1107.9°109.5°
C3C2H2108.0°109.5°
C2C3H3108.5°109.5°
C2C3H4108.5°109.4°
C18C19O1121.2°121.0°
C18C19H12119.4°119.6°
C21C20O1120.4°120.0°
C21C20O2119.2°120.0°
C20C21H13120.4°120.5°
C8C7C6111.9°109.8°
C7C8C9112.5°109.1°
C8C7H8108.8°109.4°
C8C7H9108.8°109.4°
C7C8H31108.7°109.5°
C7C8H32108.7°109.5°
C7C6C5108.8°109.4°
C7C6C1113.2°109.7°
C7C6O3107.0°109.4°
C6C7H8108.9°109.4°
C6C7H9108.9°109.5°
C13C14O112.6°118.4°
C13C14C9119.5°117.2°
C14C13C12107.1°109.3°
C14C13C23108.3°112.2°
OC14C9108.8°120.3°
C14C9C10109.3°109.2°
C14C9C8114.6°110.8°
C14C9H30106.3°109.3°
C13C12C11113.6°110.1°
C12C13C23109.1°111.4°
C13C12H19108.5°109.4°
C13C12H20108.4°109.3°
C12C11C10110.6°109.4°
C11C12H19108.4°109.4°
C11C12H20108.4°109.4°
C12C11H21109.2°109.5°
C12C11H22109.2°109.4°
C19O1C20120.5°121.0°
O1C19H12119.4°119.5°
O1C20O2120.3°120.0°
C13C23H16109.5°109.5°
C13C23H17109.5°109.5°
C13C23H18109.5°109.5°
C5C6C1113.4°109.4°
C5C6O3104.0°109.5°
C6C5H6108.7°109.5°
C6C5H7108.7°109.5°
C9C10C11106.3°109.1°
C9C10C1114.8°109.1°
C10C9C8113.3°109.0°
C9C10H23107.1°109.5°
C10C9H30106.4°109.4°
C11C10C1114.1°110.4°
C10C11H21109.2°109.5°
C10C11H22109.2°109.5°
C11C10H23107.1°109.4°
C10C1C2110.2°109.6°
C10C1C6111.8°109.1°
C10C1C110.3°109.5°
C1C10H23106.9°109.4°
C2C1C6110.0°109.6°
C2C1C104.2°109.5°
C1C2H1108.0°109.4°
C1C2H2107.9°109.5°
C8C9H30106.4°109.1°
C9C8H31108.7°109.4°
C9C8H32108.7°109.7°
C1C6O3110.0°109.5°
C6C1C110.0°109.5°
C6O3H10109.5°114.0°
C1CH24109.5°109.4°
C1CH25109.5°109.5°
C1CH26109.4°109.4°
H1C2H2109.4°109.5°
H3C3H4109.5°109.6°
H6C5H7109.5°109.4°
H8C7H9109.5°109.3°
H16C23H17109.5°109.5°
H16C23H18109.5°109.5°
H17C23H18109.5°109.5°
H19C12H20109.5°109.3°
H21C11H22109.5°109.5°
H24CH25109.5°109.5°
H24CH26109.5°109.5°
H25CH26109.5°109.5°
H27C16H28109.5°110.6°
H31C8H32109.4°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C15C16C17H27119.6°118.7°
C15C16C17H28119.5°118.6°
C16C15C14O108.8°114.3°
C16C15C14H29140.6°138.0°
C16C15OH29156.0°158.2°
C15C16C17C18131.0°79.5°
C15C16C17C131.4°39.0°
C16C15C14C134.2°1.2°
C16C15C14C9162.2°137.6°
C15C16C17H15112.4°157.0°
C15C16H27H28121.3°122.7°
C17C16C15C141.6°25.0°
C17C16C15O61.1°36.3°
C16C17C18C13126.7°113.5°
C16C17C18H15116.3°123.1°
C16C17C13H15113.9°117.6°
C16C17C18C22129.1°171.7°
C16C17C18C1951.4°8.2°
C16C17C13C143.9°38.1°
C16C17C13C12119.0°78.0°
C16C17C13C23116.3°159.1°
C17C16H27H28121.3°122.6°
C17C16C15H29142.4°165.0°
O4C4C3C5119.7°120.0°
O4C4C3H5120.8°120.0°
O4C4C5H5118.9°120.0°
O4C4C3C2118.9°60.0°
O4C4C5C6173.5°59.9°
O4C4C3H3120.5°60.0°
O4C4C3H41.7°179.9°
O4C4C5H653.0°60.1°
O4C4C5H766.0°180.0°
C14C15OH29107.4°110.5°
C15C14C13C174.9°23.0°
C15C14C13O62.6°61.8°
C15C14C13C9167.8°141.0°
C15C14OC9124.7°110.4°
C15C14C13C12121.8°92.3°
C15C14C13C23120.6°143.6°
C15C14C9C10113.3°84.7°
C15C14C9C815.1°35.3°
C14C15C16H27121.1°93.6°
C14C15C16H28117.9°143.6°
C15C14C9H30132.3°155.6°
OC15C16H2758.4°154.9°
OC15C16H28179.3°82.3°
C18C17C13H15117.3°123.3°
C17C18C22C19179.5°179.9°
C17C18C22C21179.5°179.9°
C18C17C13C14132.7°81.1°
C18C17C13C12112.2°162.9°
C17C18C19O1179.3°179.9°
C18C17C13C2312.5°40.0°
C17C18C19H120.7°0.0°
C17C18C22H140.5°0.0°
C18C17C16H2711.5°161.8°
C18C17C16H28109.4°39.1°
C13C17C18C22104.2°74.7°
C13C17C18C1975.3°105.3°
C17C13C14C12116.9°115.3°
C17C13C14C23125.5°120.6°
C17C13C14O67.6°38.8°
C17C13C14C9162.9°164.0°
C17C13C12C23128.9°123.0°
C17C13C12C11163.7°165.7°
C17C13C23H16180.0°61.4°
C17C13C23H1760.0°178.6°
C17C13C23H1860.0°58.6°
C17C13C12H1975.7°74.2°
C17C13C12H2043.1°45.5°
C13C17C16H27118.1°79.6°
C13C17C16H28121.0°157.7°
C3C4C5H5119.4°120.0°
C4C3C2H3120.6°120.0°
C4C3C2H4120.6°119.9°
C3C4C5C651.8°60.1°
C4C3C2C150.7°60.0°
C4C3C2H1171.6°60.0°
C4C3C2H270.2°179.9°
C4C3H3H4118.2°120.1°
C3C4C5H668.7°179.9°
C3C4C5H7172.3°60.0°
C3C4O4H11180.0°60.0°
C5C4C3C20.8°60.0°
C4C5C6C769.2°179.9°
C4C5C6H6120.5°120.0°
C4C5C6H7120.5°120.0°
C4C5C6C157.6°59.9°
C4C5C6O3177.0°60.0°
C5C4C3H3119.8°180.0°
C5C4C3H4121.4°59.9°
C4C5H6H7118.5°119.9°
C5C4O4H1158.2°180.0°
C18C22C21H14180.0°180.0°
C18C22C21C200.1°0.0°
C22C18C19O10.2°0.0°
C22C18C19H12179.8°179.9°
C18C22C21H13180.0°180.0°
C22C18C17H1512.8°48.6°
C21C22C18C190.0°0.0°
C22C21C20H13180.0°180.0°
C22C21C20O10.0°0.0°
C22C21C20O2179.8°180.0°
C3C2C1C1079.0°59.8°
C3C2C1H1120.9°120.0°
C3C2C1H2120.9°120.0°
C3C2C1C644.8°60.0°
C3C2C1C162.7°179.9°
C3C2H1H2117.2°120.0°
C2C3H3H4118.2°120.0°
C2C3C4H5120.3°179.9°
C18C19O1H12180.0°180.0°
C18C19O1C200.3°0.0°
C19C18C22H14180.0°180.0°
C19C18C17H15167.7°131.3°
C21C20O1C190.2°0.0°
C21C20O1O2179.7°180.0°
C20C21C22H14179.9°180.0°
C8C7C6H8120.4°120.1°
C8C7C6H9120.3°120.1°
C7C8C9C14124.2°179.0°
C8C7C6C5177.1°60.7°
C7C8C9C102.2°60.8°
C7C8C9H31120.5°119.8°
C7C8C9H32120.5°119.9°
C8C7C6C155.9°59.3°
C8C7C6O365.4°179.4°
C8C7H8H9118.8°119.7°
C7C8C9H30118.7°58.6°
C7C8H31H32118.6°120.1°
C7C6C5C1126.8°120.2°
C7C6C5O3113.8°119.9°
C7C6C1C106.6°59.8°
C7C6C1C2116.3°179.9°
C6C7C8C953.3°59.7°
C7C6C1O3119.6°120.0°
C7C6C1C129.4°60.0°
C7C6C5H6170.3°59.9°
C7C6C5H751.2°60.1°
C6C7H8H9118.9°119.9°
C7C6O3H10180.0°59.9°
C6C7C8H3167.2°179.5°
C6C7C8H32173.8°60.3°
C13C14OC9134.9°156.5°
C14C13C12C23117.0°124.6°
C14C13C12C1149.6°53.2°
C13C14C9C1051.9°50.3°
C13C14C9C8179.7°170.3°
C14C13C17H15110.1°155.6°
C14C13C23H1661.3°177.4°
C14C13C23H1758.7°62.6°
C14C13C23H18178.7°57.4°
C14C13C12H19170.2°173.4°
C14C13C12H2071.0°66.9°
C13C14C15H29144.8°139.2°
C13C14C9H3062.5°69.4°
OC14C13C12175.5°154.1°
OC14C13C2358.0°81.8°
OC14C9C10176.9°153.0°
OC14C9C848.4°32.9°
OC14C9H3068.7°87.4°
C9C14C13C1246.0°48.7°
C9C14C13C2371.6°75.4°
C14C9C10C8129.2°121.2°
C14C9C10H30114.3°119.6°
C14C9C10C1156.4°56.3°
C14C9C10C1176.4°177.0°
C14C9C8H30117.1°120.4°
C14C9C10H2357.9°63.3°
C9C14C15H2921.6°0.4°
C14C9C8H31115.4°59.2°
C14C9C8H323.7°61.1°
C13C12C11H19120.6°120.2°
C13C12C11H20120.6°120.1°
C13C12C11C1063.0°63.8°
C12C13C17H155.0°39.6°
C12C13C23H1655.0°59.7°
C12C13C23H17175.0°60.3°
C12C13C23H1865.0°179.7°
C13C12H19H20118.1°119.7°
C13C12C11H2157.1°56.2°
C13C12C11H22176.8°176.2°
C11C12C13C2367.4°71.4°
C12C11C10C964.1°65.0°
C12C11C10H21120.2°120.0°
C12C11C10H22120.2°119.9°
C12C11C10C1168.3°175.1°
C11C12H19H20118.1°119.7°
C12C11H21H22119.5°119.9°
C12C11C10H2350.2°54.7°
C19O1C20O2179.9°180.0°
C20O1C19H12179.7°179.9°
O1C20C21H13179.9°180.0°
O2C20C21H130.2°0.0°
C23C13C17H15129.7°83.3°
C13C23H16H17120.0°120.0°
C13C23H16H18120.0°120.0°
C13C23H17H18120.0°120.0°
C23C13C12H1953.2°48.8°
C23C13C12H20171.9°168.5°
C5C6C1C10131.0°60.2°
C5C6C1C28.1°59.9°
C5C6C1O3115.9°120.0°
C5C6C1C106.1°180.0°
C6C5C4H567.6°179.9°
C6C5H6H7118.6°120.0°
C5C6C7H862.5°179.2°
C5C6C7H956.8°59.4°
C5C6O3H1065.0°60.0°
C9C10C11C1127.6°119.8°
C9C10C11H23114.3°119.7°
C9C10C1H23118.7°119.7°
C9C10C1C2167.2°178.9°
C10C9C8H30116.5°119.4°
C9C10C1C644.5°61.1°
C9C10C1C78.2°58.7°
C9C10C11H2156.0°55.0°
C9C10C11H22175.7°175.0°
C10C9C8H31118.2°179.4°
C10C9C8H32122.7°59.1°
C11C10C1H23118.3°120.4°
C11C10C1C269.7°59.0°
C11C10C9C8174.4°177.5°
C11C10C1C6167.6°179.0°
C11C10C1C44.8°61.2°
C10C11C12H19176.4°176.0°
C10C11C12H2057.6°56.3°
C10C11H21H22119.5°120.1°
C11C10C9H3057.9°63.3°
C10C1C2C6123.8°119.7°
C10C1C2C118.3°120.2°
C1C10C9C847.3°61.8°
C10C1C6C122.9°119.9°
C10C1C6O3113.1°179.9°
C10C1C2H141.9°179.7°
C10C1C2H2160.1°60.3°
C1C10C11H2171.5°64.9°
C1C10C11H2248.2°55.2°
C10C1CH24180.0°179.7°
C10C1CH2560.0°59.7°
C10C1CH2660.0°60.3°
C1C10C9H3069.2°57.4°
C2C1C6C114.2°120.1°
C2C1C6O3124.1°60.1°
C1C2H1H2117.2°120.0°
C1C2C3H369.9°180.0°
C1C2C3H4171.3°59.9°
C2C1C10H2348.6°61.4°
C2C1CH2461.7°60.0°
C2C1CH25178.3°179.9°
C2C1CH2658.3°60.0°
C9C8C7H867.1°60.4°
C9C8C7H9173.7°179.9°
C8C9C10H2371.3°57.8°
C9C8H31H32118.6°120.3°
C6C1C2H1165.7°60.0°
C6C1C2H276.1°180.0°
C1C6C5H662.9°179.9°
C1C6C5H7178.0°60.1°
C1C6C7H864.4°60.8°
C1C6C7H9176.3°179.4°
C1C6O3H1056.7°179.9°
C6C1C10H2374.2°58.6°
C6C1CH2456.2°60.1°
C6C1CH2563.8°59.9°
C6C1CH26176.2°179.9°
O3C6C1C9.8°60.0°
O3C6C5H656.5°60.0°
O3C6C5H762.6°180.0°
O3C6C7H8174.3°59.3°
O3C6C7H955.0°60.5°
CC1C2H176.5°60.1°
CC1C2H241.8°59.9°
CC1C10H23163.1°178.4°
C1CH24H25120.0°120.0°
C1CH24H26120.0°120.0°
C1CH25H26120.0°119.9°
H1C2C3H351.0°60.0°
H1C2C3H467.9°179.9°
H2C2C3H3169.2°60.0°
H2C2C3H450.4°60.2°
H3C3C4H50.3°60.0°
H4C3C4H5119.1°60.2°
H5C4C5H6171.9°59.9°
H5C4C5H752.8°60.0°
H5C4O4H1159.9°60.0°
H8C7C8H31172.4°59.3°
H8C7C8H3253.4°179.5°
H9C7C8H3153.2°60.4°
H9C7C8H3265.9°59.8°
H13C21C22H140.0°0.0°
H15C17C16H27128.0°38.4°
H15C17C16H287.1°84.4°
H16C23H17H18120.0°120.0°
H19C12C11H2163.5°63.9°
H19C12C11H2256.2°56.0°
H20C12C11H21177.8°176.4°
H20C12C11H2262.5°63.6°
H21C11C10H23170.3°174.7°
H22C11C10H2370.0°65.2°
H23C10C9H30172.2°177.0°
H24CH25H26120.0°120.1°
H27C16C15H2998.1°46.4°
H28C16C15H2922.8°76.4°
H30C9C8H311.7°61.3°
H30C9C8H32120.8°178.5°

222624

PDB entries from 2024-07-17

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