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POF

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1S1doub1.42Å1.42Å
O3C1sing1.36Å1.42Å
O3S1sing1.52Å1.62Å
O4C17doub1.21Å1.23Å
O2S1doub1.42Å1.43Å
C1C2doub1.38Å1.41ÅAromatic
C1C6sing1.39Å1.40ÅAromatic
C2C3sing1.39Å1.42ÅAromatic
N1S1sing1.66Å1.57Å
C3C4doub1.38Å1.45ÅAromatic
C3C7sing1.51Å1.52Å
C4C5sing1.39Å1.43ÅAromatic
C4C10sing1.50Å1.55Å
C5C6doub1.38Å1.41ÅAromatic
C7C8sing1.53Å1.55Å
C8C9sing1.53Å1.53Å
C9C10sing1.53Å1.57Å
C9C11sing1.53Å1.57Å
C10C14sing1.53Å1.55Å
C11C12sing1.54Å1.59Å
C11C16sing1.53Å1.56Å
C12C13sing1.53Å1.56Å
C12C15sing1.53Å1.57Å
C12C18sing1.50Å1.54Å
C13C14sing1.53Å1.54Å
C16C17sing1.51Å1.51Å
C17N2sing1.34Å1.47Å
N2C18sing1.34Å1.49Å
N2C19sing1.47Å1.53Å
C18O5doub1.21Å1.25Å
C19C20sing1.51Å1.47Å
C20C21doub1.39Å1.40ÅAromatic
C20C24sing1.38Å1.40ÅAromatic
C21C22sing1.39Å1.48ÅAromatic
C22C23doub1.38Å1.38ÅAromatic
C23N3sing1.32Å1.32ÅAromatic
N3C24doub1.32Å1.42ÅAromatic
C2H2sing1.08Å1.08Å
N1HN1sing0.97Å1.00Å
N1HN1Asing0.97Å1.00Å
C5H5sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C7H7sing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
C8H8sing1.09Å1.10Å
C8H8Asing1.09Å1.10Å
C9H9sing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C11H11sing1.09Å1.10Å
C13H13sing1.09Å1.10Å
C13H13Asing1.09Å1.10Å
C14H14sing1.09Å1.10Å
C14H14Asing1.09Å1.10Å
C15H15sing1.09Å1.10Å
C15H15Asing1.09Å1.10Å
C15H15Bsing1.09Å1.10Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C19H19Asing1.09Å1.10Å
C21H21sing1.08Å1.08Å
C22H22sing1.08Å1.08Å
C23H23sing1.08Å1.08Å
C24H24sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1S1O3105.9°106.4°
O1S1O2120.2°123.2°
O1S1N1108.3°106.4°
C1O3S1119.6°114.0°
O3C1C2122.1°120.2°
O3C1C6116.2°120.2°
O3S1O2105.2°106.4°
O3S1N1107.1°107.2°
O4C17C16117.5°119.3°
O4C17N2124.4°119.3°
O2S1N1109.4°106.4°
C2C1C6121.7°119.7°
C1C2C3119.4°120.6°
C1C2H2120.3°119.7°
C1C6C5119.2°119.7°
C1C6H6120.4°120.1°
C2C3C4120.2°119.5°
C2C3C7118.8°117.7°
C3C2H2120.3°119.7°
S1N1HN1109.5°120.0°
S1N1HN1A109.4°120.0°
C4C3C7121.0°122.8°
C3C4C5117.7°119.9°
C3C4C10121.3°121.9°
C3C7C8112.9°111.2°
C3C7H7108.3°109.1°
C3C7H7A107.6°109.1°
C5C4C10121.0°118.3°
C4C5C6121.8°120.7°
C4C5H5119.1°119.7°
C4C10C9112.8°110.3°
C4C10C14113.7°111.5°
C4C10H10103.7°108.7°
C6C5H5119.1°119.7°
C5C6H6120.4°120.2°
C7C8C9110.2°108.2°
C8C7H7108.4°109.2°
C8C7H7A107.6°109.1°
C7C8H8109.2°109.7°
C7C8H8A109.0°109.7°
C8C9C10108.6°108.2°
C8C9C11113.7°111.1°
C9C8H8109.2°109.7°
C9C8H8A109.1°109.8°
C8C9H9106.8°109.5°
C10C9C11108.1°108.7°
C9C10C14108.4°109.5°
C10C9H9112.5°109.6°
C9C10H10109.5°108.7°
C9C11C12111.7°108.4°
C9C11C16113.5°110.6°
C11C9H9107.3°109.7°
C9C11H11104.8°109.7°
C10C14C13111.7°109.2°
C14C10H10108.5°108.0°
C10C14H14108.7°109.5°
C10C14H14A108.2°109.5°
C12C11C16108.9°108.3°
C11C12C13109.3°109.7°
C11C12C15111.9°109.3°
C11C12C18109.8°108.9°
C12C11H11109.8°109.6°
C11C16C17113.3°108.8°
C16C11H11107.9°110.1°
C11C16H16108.2°109.6°
C11C16H16A107.3°109.6°
C13C12C15109.2°109.3°
C13C12C18111.7°110.7°
C12C13C14113.7°109.6°
C12C13H13108.1°109.4°
C12C13H13A107.1°109.4°
C15C12C18105.0°108.9°
C12C15H15109.5°109.5°
C12C15H15A109.5°109.4°
C12C15H15B109.5°109.5°
C12C18N2119.2°120.7°
C12C18O5119.0°119.7°
C14C13H13108.1°109.4°
C14C13H13A107.1°109.5°
C13C14H14108.7°109.5°
C13C14H14A108.2°109.6°
C16C17N2118.1°121.5°
C17C16H16108.2°109.6°
C17C16H16A107.4°109.6°
C17N2C18121.8°122.7°
C17N2C19119.2°118.6°
C18N2C19119.0°118.7°
N2C18O5121.8°119.7°
N2C19C20116.7°109.5°
N2C19H19107.1°109.5°
N2C19H19A105.5°109.5°
C19C20C21123.3°120.4°
C19C20C24120.5°120.4°
C20C19H19107.1°109.5°
C20C19H19A105.4°109.5°
C21C20C24116.3°119.2°
C20C21C22121.7°118.4°
C20C21H21119.2°120.7°
C20C24N3120.3°120.7°
C20C24H24119.9°119.7°
C21C22C23118.2°119.1°
C22C21H21119.1°120.8°
C21C22H22120.9°120.4°
C22C23N3119.7°120.8°
C23C22H22120.9°120.4°
C22C23H23120.2°119.6°
C23N3C24123.9°121.8°
N3C23H23120.1°119.6°
N3C24H24119.9°119.6°
HN1N1HN1A109.5°120.0°
H7C7H7A112.2°109.1°
H8C8H8A110.0°109.8°
H13C13H13A112.9°109.4°
H14C14H14A111.2°109.6°
H15C15H15A109.4°109.5°
H15C15H15B109.5°109.4°
H15AC15H15B109.5°109.5°
H16C16H16A112.5°109.6°
H19C19H19A115.3°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1S1O3C142.7°38.5°
O1S1O3O2128.2°132.9°
O1S1O3N1115.4°113.5°
O1S1O2N1126.1°123.0°
O1S1N1HN1138.5°6.5°
O1S1N1HN1A18.4°173.5°
C1O3S1O285.5°171.4°
O3C1C2C6179.7°179.7°
O3C1C2C3179.7°180.0°
C1O3S1N1158.1°75.0°
O3C1C6C5179.7°180.0°
O3C1C2H20.3°0.0°
O3C1C6H60.3°0.3°
O3S1O2N1114.8°114.0°
S1O3C1C268.1°89.9°
S1O3C1C6111.7°90.3°
O3S1N1HN124.7°120.0°
O3S1N1HN1A95.4°60.0°
O4C17C16C11150.8°152.1°
O4C17C16N2179.6°180.0°
O4C17N2C18179.9°179.4°
O4C17N2C190.1°0.6°
O4C17C16H1689.3°88.1°
O4C17C16H16A32.4°32.3°
O2S1N1HN188.9°126.5°
O2S1N1HN1A151.1°53.5°
C1C2C3H2180.0°180.0°
C1C2C3C40.0°0.4°
C1C2C3C7179.7°178.9°
C2C1C6C50.0°0.3°
C2C1C6H6180.0°180.0°
C6C1C2C30.0°0.2°
C1C6C5C40.0°0.6°
C1C6C5H6180.0°179.7°
C6C1C2H2180.0°179.7°
C1C6C5H5179.9°179.7°
C2C3C4C7179.7°179.3°
C2C3C4C50.0°0.7°
C2C3C4C10179.5°178.6°
C2C3C7C8161.3°164.3°
C2C3C7H778.7°75.2°
C2C3C7H7A42.8°43.9°
S1N1HN1HN1A120.0°180.0°
C3C4C5C10179.6°179.3°
C3C4C5C60.1°0.8°
C4C3C7C818.3°16.4°
C3C4C10C914.7°21.1°
C3C4C10C14138.8°143.0°
C4C3C2H2180.0°179.5°
C3C4C5H5179.9°179.5°
C4C3C7H7101.7°104.1°
C4C3C7H7A136.8°136.8°
C3C4C10H10103.6°98.1°
C7C3C4C5179.7°178.7°
C7C3C4C100.1°2.0°
C3C7C8H7120.0°120.5°
C3C7C8H7A118.5°120.4°
C3C7C8C951.8°49.1°
C7C3C2H20.3°1.1°
C3C7H7H7A118.6°119.1°
C3C7C8H8171.8°168.7°
C3C7C8H8A67.9°70.6°
C4C5C6H5180.0°179.8°
C5C4C10C9165.7°159.6°
C5C4C10C1441.7°37.7°
C4C5C6H6180.0°179.7°
C5C4C10H1075.9°81.3°
C10C4C5C6179.5°178.6°
C4C10C9C846.7°54.0°
C4C10C9C14126.9°123.1°
C4C10C9H10114.9°119.1°
C4C10C9C11170.5°174.8°
C4C10C14H10114.8°119.4°
C4C10C14C13173.8°177.3°
C10C4C5H50.5°1.2°
C4C10C9H971.2°65.3°
C4C10C14H1453.8°57.5°
C4C10C14H14A67.1°62.7°
C7C8C9H8120.0°119.6°
C7C8C9H8A119.7°119.7°
C7C8C9C1066.3°69.8°
C7C8C9C11173.4°170.9°
C8C7H7H7A118.6°119.2°
C7C8H8H8A119.7°120.6°
C7C8C9H955.3°49.6°
C8C9C10C11123.7°120.8°
C8C9C10H9118.0°119.3°
C8C9C11H9117.8°121.2°
C8C9C10C14173.6°177.1°
C8C9C11C12178.2°179.1°
C8C9C11C1654.6°60.5°
C9C8C7H768.2°71.4°
C9C8C7H7A170.3°169.4°
C9C8H8H8A119.7°120.7°
C8C9C10H1068.2°65.1°
C8C9C11H1162.9°61.2°
C10C9C11H9121.6°119.8°
C9C10C14H10118.9°118.2°
C10C9C11C1261.2°61.9°
C10C9C11C16175.2°179.4°
C9C10C14C1359.8°60.3°
C10C9C8H8173.7°170.6°
C10C9C8H8A53.4°49.9°
C10C9C11H1157.7°57.7°
C9C10C14H14179.8°179.8°
C9C10C14H14A59.2°59.7°
C11C9C10C1462.7°62.2°
C9C11C12C16126.2°120.1°
C9C11C12H11115.9°119.7°
C9C11C16H11115.7°121.4°
C9C11C12C1354.0°61.1°
C9C11C12C1567.0°58.7°
C9C11C12C18176.8°177.6°
C9C11C16C17177.1°174.5°
C11C9C8H853.4°51.3°
C11C9C8H8A66.9°69.4°
C11C9C10H1055.5°55.6°
C9C11C16H1662.9°54.7°
C9C11C16H16A58.8°65.7°
C10C14C13C1254.7°58.9°
C10C14C13H14120.0°119.9°
C10C14C13H14A119.1°119.9°
C14C10C9H955.6°57.7°
C10C14C13H13174.7°178.9°
C10C14C13H13A63.4°61.1°
C10C14H14H14A119.1°120.1°
C12C11C16H11119.2°119.9°
C11C12C13C15122.7°119.9°
C11C12C13C18121.7°120.1°
C11C12C15C18119.1°118.8°
C11C12C13C1450.1°59.7°
C12C11C16C1757.8°55.8°
C11C12C18N229.9°31.0°
C11C12C18O5150.4°149.0°
C12C11C9H960.4°57.9°
C11C12C13H13170.1°179.7°
C11C12C13H13A68.0°60.4°
C11C12C15H150.9°60.0°
C11C12C15H15A120.9°180.0°
C11C12C15H15B119.1°60.0°
C12C11C16H1662.2°64.0°
C12C11C16H16A176.1°175.6°
C16C11C12C13179.8°178.8°
C16C11C12C1559.2°61.3°
C16C11C12C1857.0°57.5°
C11C16C17H16120.0°119.8°
C11C16C17H16A118.3°119.8°
C11C16C17N228.8°27.8°
C16C11C9H963.2°60.7°
C11C16H16H16A118.4°120.3°
C13C12C15C18119.9°121.1°
C12C13C14H13120.0°120.0°
C12C13C14H13A118.1°120.0°
C13C12C18N2151.3°151.6°
C13C12C18O529.0°28.4°
C13C12C11H1161.9°58.6°
C12C13H13H13A118.3°119.9°
C12C13C14H14174.7°178.8°
C12C13C14H14A64.3°61.0°
C13C12C15H15122.0°180.0°
C13C12C15H15A118.0°59.9°
C13C12C15H15B2.0°60.1°
C15C12C13C1472.6°60.2°
C15C12C18N290.6°88.1°
C15C12C18O589.2°91.9°
C15C12C11H11177.1°178.4°
C15C12C13H1347.4°59.8°
C15C12C13H13A169.3°179.8°
C12C15H15H15A120.0°120.0°
C12C15H15H15B120.0°120.0°
C12C15H15AH15B120.0°120.0°
C18C12C13C14171.8°179.8°
C12C18N2C170.7°1.1°
C12C18N2O5179.7°180.0°
C12C18N2C19179.3°178.9°
C18C12C11H1160.9°62.7°
C18C12C13H1368.2°60.2°
C18C12C13H13A53.7°59.8°
C18C12C15H15118.1°58.9°
C18C12C15H15A1.8°61.2°
C18C12C15H15B121.8°178.8°
C13C14C10H1059.0°58.0°
C14C13H13H13A118.2°120.0°
C13C14H14H14A119.1°120.2°
C16C17N2C180.6°0.7°
C16C17N2C19179.4°179.4°
C17C16C11H1161.4°64.1°
C17C16H16H16A118.4°120.3°
C17N2C18C19180.0°179.9°
C17N2C18O5179.6°178.9°
C17N2C19C2081.9°90.0°
N2C17C16H1691.2°92.0°
N2C17C16H16A147.2°147.7°
C17N2C19H19158.1°149.9°
C17N2C19H19A34.8°30.0°
C18N2C19C2098.1°90.0°
C18N2C19H1921.9°30.0°
C18N2C19H19A145.2°149.9°
C19N2C18O50.4°1.2°
N2C19C20H19120.0°120.0°
N2C19C20H19A116.7°120.0°
N2C19C20C2159.7°90.0°
N2C19C20C24120.4°90.3°
N2C19H19H19A117.0°120.0°
C19C20C21C24179.9°179.7°
C19C20C21C22179.9°180.0°
C19C20C24N3179.9°179.8°
C20C19H19H19A117.0°120.1°
C19C20C21H210.1°0.0°
C19C20C24H240.1°0.0°
C20C21C22H21180.0°180.0°
C20C21C22C230.0°0.0°
C21C20C24N30.0°0.5°
C21C20C19H1960.3°30.0°
C21C20C19H19A176.4°150.0°
C20C21C22H22180.0°180.0°
C21C20C24H24180.0°179.7°
C24C20C21C220.0°0.3°
C20C24N3C230.0°0.5°
C20C24N3H24180.0°179.7°
C24C20C19H19119.6°149.7°
C24C20C19H19A3.7°29.7°
C24C20C21H21180.0°179.8°
C21C22C23H22180.0°180.0°
C21C22C23N30.0°0.0°
C21C22C23H23180.0°180.0°
C22C23N3H23180.0°179.9°
C22C23N3C240.0°0.3°
C23C22C21H21180.0°180.0°
N3C23C22H22180.0°180.0°
C23N3C24H24180.0°179.7°
C24N3C23H23180.0°179.7°
H5C5C6H60.1°0.0°
H7C7C8H851.8°48.3°
H7C7C8H8A172.1°168.9°
H7AC7C8H869.7°70.9°
H7AC7C8H8A50.6°49.7°
H8C8C9H964.8°70.0°
H8AC8C9H9175.0°169.3°
H9C9C10H10173.8°175.5°
H9C9C11H11179.3°177.6°
H10C10C14H1461.0°61.9°
H10C10C14H14A178.1°177.9°
H11C11C16H16178.6°176.1°
H11C11C16H16A57.0°55.7°
H13C13C14H1465.3°61.2°
H13C13C14H14A55.7°59.0°
H13AC13C14H1456.6°58.8°
H13AC13C14H14A177.6°179.0°
H15C15H15AH15B120.0°120.0°
H21C21C22H220.0°0.0°
H22C22C23H230.0°0.1°

222415

PDB entries from 2024-07-10

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