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836

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F3C4sing1.40Å1.36Å
F4C4sing1.40Å1.36Å
F2C4sing1.40Å1.36Å
C4C3sing1.51Å1.54Å
C14C13sing1.53Å1.56Å
C14C10sing1.53Å1.57Å
C13N2sing1.47Å1.45Å
C3C2doub1.38Å1.33ÅAromatic
C3C5sing1.40Å1.54ÅAromatic
C2C1sing1.38Å1.54ÅAromatic
O2N1doub1.22Å1.18Å
C10N01sing1.46Å1.45Å
C10C11sing1.53Å1.53Å
O1C8doub1.22Å1.18Å
N01C9sing1.47Å1.46Å
N01C8sing1.35Å1.46Å
C8C5sing1.48Å1.53Å
C5C6doub1.40Å1.33ÅAromatic
N2C15sing1.39Å1.47Å
N2C12sing1.47Å1.42Å
N4C15doub1.32Å1.31ÅAromatic
N4N3sing1.28Å1.35ÅAromatic
C1N1sing1.48Å1.46Å
C1C7doub1.38Å1.33ÅAromatic
N1O3sing1.22Å1.18Å
C15C16sing1.41Å1.41ÅAromatic
N3C22doub1.32Å1.33ÅAromatic
C24C25sing1.39Å1.45ÅAromatic
C24C23doub1.38Å1.34ÅAromatic
C12C11sing1.53Å1.51Å
C25N5doub1.31Å1.41ÅAromatic
C6C7sing1.38Å1.53ÅAromatic
C16C21doub1.40Å1.40ÅAromatic
C16C17sing1.42Å1.42ÅAromatic
C22C23sing1.48Å1.53Å
C22C17sing1.46Å1.42ÅAromatic
C23N6sing1.36Å1.36ÅAromatic
C21C20sing1.36Å1.39ÅAromatic
C17C18doub1.40Å1.40ÅAromatic
N5N6sing1.40Å1.39ÅAromatic
N6C26sing1.47Å1.45Å
C20C19doub1.39Å1.39ÅAromatic
C18C19sing1.37Å1.39ÅAromatic
C6H1sing1.08Å1.08Å
C7H2sing1.08Å1.08Å
C10H3sing1.09Å1.10Å
C13H4sing1.09Å1.10Å
C13H5sing1.09Å1.10Å
C20H6sing1.08Å1.08Å
C21H7sing1.08Å1.08Å
C24H8sing1.08Å1.08Å
C26H9sing1.09Å1.10Å
C26H10sing1.09Å1.10Å
C26H11sing1.09Å1.10Å
C11H12sing1.09Å1.10Å
C11H13sing1.09Å1.10Å
C12H14sing1.09Å1.10Å
C12H15sing1.09Å1.10Å
C14H16sing1.09Å1.10Å
C14H17sing1.09Å1.10Å
C18H18sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
C2H20sing1.08Å1.08Å
C25H21sing1.08Å1.08Å
C9H22sing1.09Å1.10Å
C9H23sing1.09Å1.10Å
C9H24sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F3C4F4108.3°109.5°
F3C4F2107.9°109.4°
F3C4C3111.3°109.4°
F4C4F2109.5°109.5°
F4C4C3109.5°109.5°
F2C4C3110.3°109.5°
C4C3C2120.2°120.1°
C4C3C5120.8°120.1°
C13C14C10109.9°109.3°
C14C13N2111.1°109.5°
C14C13H4109.1°109.5°
C14C13H5109.0°109.4°
C13C14H16109.4°109.5°
C13C14H17109.4°109.6°
C14C10N01114.1°109.6°
C14C10C11112.4°109.1°
C14C10H3106.0°109.6°
C10C14H16109.4°109.5°
C10C14H17109.4°109.4°
C13N2C15118.7°111.0°
C13N2C12117.8°111.2°
N2C13H4109.1°109.5°
N2C13H5109.0°109.5°
C2C3C5119.0°119.9°
C3C2C1120.8°120.1°
C3C2H20119.6°120.0°
C3C5C8120.4°120.1°
C3C5C6120.5°119.7°
C2C1N1119.6°119.8°
C2C1C7119.6°120.3°
C1C2H20119.6°119.9°
O2N1C1120.5°120.0°
O2N1O3118.8°120.0°
N01C10C11110.3°109.5°
C10N01C9120.3°120.0°
C10N01C8119.3°120.0°
N01C10H3107.3°109.5°
C10C11C12112.3°109.3°
C11C10H3106.3°109.5°
C10C11H12108.8°109.5°
C10C11H13108.8°109.5°
O1C8N01120.8°120.0°
O1C8C5117.6°120.0°
C9N01C8120.4°120.0°
N01C9H22109.5°109.4°
N01C9H23109.5°109.4°
N01C9H24109.5°109.5°
N01C8C5121.5°120.0°
C8C5C6119.1°120.2°
C5C6C7120.0°119.9°
C5C6H1120.0°120.1°
C15N2C12120.2°111.0°
N2C15N4117.6°120.2°
N2C15C16122.7°120.2°
N2C12C11111.6°109.5°
N2C12H14109.0°109.5°
N2C12H15109.0°109.5°
C15N4N3122.9°124.1°
N4C15C16118.8°119.5°
N4N3C22121.6°123.2°
N1C1C7120.7°119.8°
C1N1O3120.6°120.0°
C1C7C6120.0°120.1°
C1C7H2120.0°120.0°
C15C16C21121.9°122.9°
C15C16C17119.1°117.6°
N3C22C23117.1°120.9°
N3C22C17119.8°118.2°
C25C24C23107.8°107.6°
C24C25N5108.2°108.7°
C25C24H8126.1°126.2°
C24C25H21125.9°125.6°
C24C23C22125.7°126.4°
C24C23N6107.2°107.1°
C23C24H8126.1°126.2°
C12C11H12108.7°109.5°
C12C11H13108.8°109.5°
C11C12H14108.9°109.4°
C11C12H15109.0°109.5°
C25N5N6103.0°108.7°
N5C25H21125.9°125.6°
C7C6H1120.0°120.1°
C6C7H2120.0°119.9°
C21C16C17118.8°119.5°
C16C21C20120.7°119.4°
C16C21H7119.6°120.3°
C16C17C22117.2°117.3°
C16C17C18119.4°119.7°
C23C22C17121.2°120.9°
C22C23N6127.0°126.5°
C22C17C18123.5°122.9°
C23N6N5113.9°107.8°
C23N6C26124.1°126.1°
C21C20C19120.3°121.0°
C21C20H6119.8°119.5°
C20C21H7119.7°120.3°
C17C18C19120.9°119.4°
C17C18H18119.6°120.3°
N5N6C26122.0°126.1°
N6C26H9109.5°109.5°
N6C26H10109.5°109.5°
N6C26H11109.5°109.5°
C20C19C18119.8°121.0°
C19C20H6119.9°119.4°
C20C19H19120.1°119.5°
C19C18H18119.5°120.3°
C18C19H19120.1°119.5°
H4C13H5109.5°109.4°
H9C26H10109.5°109.4°
H9C26H11109.4°109.5°
H10C26H11109.5°109.5°
H12C11H13109.5°109.4°
H14C12H15109.5°109.5°
H16C14H17109.4°109.5°
H22C9H23109.5°109.5°
H22C9H24109.5°109.5°
H23C9H24109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F3C4F4F2117.4°120.0°
F3C4F4C3121.5°120.0°
F3C4F2C3121.8°120.0°
F3C4C3C24.7°120.0°
F3C4C3C5175.2°60.6°
F4C4F2C3120.6°120.1°
F4C4C3C2124.3°120.0°
F4C4C3C555.5°59.4°
F2C4C3C2115.1°0.0°
F2C4C3C565.0°179.5°
C4C3C2C5179.9°179.4°
C4C3C2C1180.0°179.9°
C4C3C5C80.4°0.3°
C4C3C5C6179.3°180.0°
C4C3C2H200.0°0.3°
C13C14C10H16120.1°119.9°
C13C14C10H17120.1°120.0°
C14C13N2H4120.3°120.0°
C14C13N2H5120.2°120.0°
C13C14C10N01175.6°62.2°
C13C14C10C1149.2°57.6°
C14C13N2C15105.2°174.2°
C14C13N2C1254.6°61.8°
C13C14C10H366.6°177.6°
C14C13H4H5119.2°119.9°
C13C14H16H17119.8°120.2°
C10C14C13N249.0°59.2°
C14C10N01C11127.6°119.7°
C14C10N01H3117.0°120.2°
C14C10C11H3115.5°119.9°
C14C10N01C939.6°119.9°
C14C10N01C8141.8°60.1°
C14C10C11C1250.7°57.7°
C10C14C13H471.3°179.3°
C10C14C13H5169.3°60.9°
C14C10C11H1269.7°177.6°
C14C10C11H13171.1°62.3°
C10C14H16H17119.8°120.0°
C13N2C15C12159.3°124.2°
C13N2C15N437.0°55.3°
C13N2C15C16131.8°124.7°
C13N2C12C1155.3°61.7°
N2C13H4H5119.2°120.0°
C13N2C12H1465.1°58.2°
C13N2C12H15175.6°178.3°
N2C13C14H1671.1°60.7°
N2C13C14H17169.1°179.1°
C3C2C1H20180.0°179.8°
C2C3C5C8179.5°179.7°
C2C3C5C60.6°0.5°
C3C2C1N1179.8°179.7°
C3C2C1C70.1°0.2°
C5C3C2C10.1°0.5°
C3C5C8O190.2°52.9°
C3C5C8N0187.1°127.1°
C3C5C8C6178.9°179.8°
C3C5C6C71.2°0.3°
C3C5C6H1178.8°179.8°
C5C3C2H20179.9°179.7°
C2C1N1O20.0°0.2°
C2C1N1C7179.7°179.9°
C2C1N1O3180.0°180.0°
C2C1C7C60.5°0.0°
C2C1C7H2179.5°180.0°
O2N1C1O3180.0°179.7°
O2N1C1C7179.7°179.7°
N01C10C11H3116.0°120.1°
C10N01C8O12.6°4.9°
C10N01C9C8178.6°180.0°
C10N01C8C5179.8°175.1°
N01C10C11C12179.2°62.3°
N01C10C11H1258.8°57.7°
N01C10C11H1360.4°177.7°
N01C10C14H1655.5°177.8°
N01C10C14H1764.3°57.7°
C10N01C9H22180.0°95.4°
C10N01C9H2360.0°144.6°
C10N01C9H2460.0°24.6°
C11C10N01C988.0°0.2°
C11C10N01C890.6°179.8°
C10C11C12N251.5°59.2°
C10C11C12H12120.4°120.0°
C10C11C12H13120.4°120.0°
C10C11H12H13118.8°120.1°
C10C11C12H1468.9°60.8°
C10C11C12H15171.8°179.2°
C11C10C14H1670.9°62.3°
C11C10C14H17169.2°177.6°
O1C8N01C9178.8°175.1°
O1C8N01C5177.2°180.0°
O1C8C5C688.7°127.3°
C9N01C8C51.6°4.9°
C9N01C10H3156.6°119.9°
N01C9H22H23120.0°119.9°
N01C9H22H24120.0°120.0°
N01C9H23H24120.0°120.0°
N01C8C5C694.0°52.7°
C8N01C10H324.8°60.1°
C8N01C9H221.4°84.6°
C8N01C9H23118.6°35.4°
C8N01C9H24121.4°155.4°
C8C5C6C7179.9°180.0°
C8C5C6H10.1°0.0°
C5C6C7C11.2°0.0°
C5C6C7H1180.0°180.0°
C5C6C7H2178.8°180.0°
N2C15N4C16169.2°179.9°
N2C15N4N3178.8°179.9°
C15N2C12C11104.3°174.2°
N2C15C16C216.9°0.1°
N2C15C16C17177.6°180.0°
C15N2C13H4134.5°54.1°
C15N2C13H515.0°65.8°
C15N2C12H14135.4°65.8°
C15N2C12H1516.1°54.2°
C12N2C15N4122.4°68.9°
C12N2C15C1668.9°111.0°
N2C12C11H14120.3°120.0°
N2C12C11H15120.3°120.1°
C12N2C13H465.7°178.2°
C12N2C13H5174.9°58.2°
N2C12C11H1269.0°179.1°
N2C12C11H13171.9°60.9°
N2C12H14H15119.0°120.1°
C15N4N3C225.9°0.1°
N4C15C16C21175.5°180.0°
N4C15C16C179.0°0.0°
N3N4C15C169.6°0.0°
N4N3C22C23163.0°179.9°
N4N3C22C171.6°0.1°
N1C1C7C6179.2°179.9°
N1C1C7H20.8°0.0°
N1C1C2H200.2°0.1°
C7C1N1O30.3°0.0°
C1C7C6H2180.0°180.0°
C1C7C6H1178.8°180.0°
C7C1C2H20179.9°180.0°
C15C16C21C17175.5°179.9°
C15C16C17C224.9°0.0°
C15C16C21C20175.1°179.9°
C15C16C17C18175.3°180.0°
C15C16C21H74.9°0.0°
N3C22C23C24101.7°119.7°
N3C22C17C161.3°0.0°
N3C22C23C17164.3°179.9°
N3C22C23N675.7°60.3°
N3C22C17C18179.0°179.9°
C25C24C23H8180.0°179.7°
C24C25N5H21180.0°180.0°
C25C24C23C22179.3°180.0°
C25C24C23N61.5°0.0°
C24C25N5N60.3°0.0°
C23C24C25N51.1°0.0°
C24C23C22N6177.5°180.0°
C24C23C22C1762.6°60.4°
C24C23N6N51.4°0.0°
C24C23N6C26179.5°180.0°
C23C24C25H21178.9°180.0°
C12C11C10H364.8°177.6°
C12C11H12H13118.7°120.1°
C11C12H14H15119.0°120.0°
C25N5N6C230.7°0.0°
C25N5N6C26179.8°180.0°
N5C25C24H8178.9°179.7°
C21C16C17C22179.4°180.0°
C16C21C20H7180.0°180.0°
C21C16C17C180.3°0.1°
C16C21C20C190.3°0.1°
C16C21C20H6179.7°179.9°
C16C17C22C23162.6°180.0°
C16C17C22C18179.7°180.0°
C17C16C21C200.5°0.0°
C16C17C18C190.1°0.1°
C17C16C21H7179.6°180.0°
C16C17C18H18179.9°180.0°
C23C22C17C1817.2°0.0°
C22C23N6N5179.2°180.0°
C22C23N6C261.7°0.0°
C22C23C24H80.7°0.3°
C17C22C23N6119.9°119.6°
C22C17C18C19179.7°180.0°
C22C17C18H180.3°0.0°
C23N6N5C26179.1°180.0°
N6C23C24H8178.6°179.7°
C23N6C26H9179.0°94.9°
C23N6C26H1061.0°145.1°
C23N6C26H1159.0°25.0°
C21C20C19H6180.0°179.8°
C21C20C19C180.1°0.0°
C21C20C19H19179.9°180.0°
C17C18C19C200.1°0.0°
C17C18C19H18180.0°179.9°
C17C18C19H19179.9°179.9°
N5N6C26H90.0°85.1°
N5N6C26H10120.0°34.9°
N5N6C26H11120.0°154.9°
N6N5C25H21179.7°179.9°
N6C26H9H10120.0°120.0°
N6C26H9H11120.0°120.0°
N6C26H10H11120.0°120.0°
C20C19C18H19180.0°180.0°
C19C20C21H7179.7°180.0°
C20C19C18H18179.9°179.9°
C18C19C20H6179.9°179.9°
H1C6C7H21.2°0.0°
H3C10C11H12174.8°62.4°
H3C10C11H1355.6°57.6°
H3C10C14H16173.3°57.6°
H3C10C14H1753.5°62.5°
H4C13C14H16168.7°59.3°
H4C13C14H1748.8°60.8°
H5C13C14H1649.2°179.2°
H5C13C14H1770.7°59.0°
H6C20C21H70.3°0.1°
H6C20C19H190.1°0.1°
H8C24C25H211.1°0.2°
H9C26H10H11119.9°120.0°
H12C11C12H14170.7°59.2°
H12C11C12H1551.4°60.8°
H13C11C12H1451.5°179.2°
H13C11C12H1567.8°59.2°
H18C18C19H190.1°0.0°
H22C9H23H24120.0°120.1°

247536

PDB entries from 2026-01-14

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