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V81

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C23N24sing1.37Å1.37ÅAromatic
C23C22doub1.35Å1.35ÅAromatic
N25N24sing1.40Å1.39ÅAromatic
N25C26doub1.32Å1.31ÅAromatic
N24C29sing1.37Å1.38ÅAromatic
C22C21sing1.41Å1.43ÅAromatic
N27C26sing1.40Å1.40Å
C14C12sing1.53Å1.53Å
C26C28sing1.40Å1.42ÅAromatic
C10C9sing1.51Å1.50Å
C10N11sing1.47Å1.46Å
C8C9doub1.37Å1.37ÅAromatic
C8C7sing1.40Å1.41ÅAromatic
C29C28doub1.40Å1.40ÅAromatic
C29N30sing1.33Å1.34ÅAromatic
C21N30doub1.32Å1.33ÅAromatic
C21C7sing1.48Å1.50Å
C28C31sing1.48Å1.50Å
C9C20sing1.40Å1.41ÅAromatic
C7C6doub1.40Å1.42ÅAromatic
C12C15sing1.53Å1.53Å
C12N11sing1.47Å1.47Å
C15C16sing1.53Å1.53Å
C15C17sing1.53Å1.53Å
N11C18sing1.34Å1.35Å
C31C32doub1.36Å1.37ÅAromatic
C31C36sing1.41Å1.41ÅAromatic
C32N33sing1.35Å1.35ÅAromatic
C16C17sing1.53Å1.53Å
C36N35doub1.31Å1.30ÅAromatic
C20C18sing1.48Å1.49Å
C20C5doub1.40Å1.43ÅAromatic
C6C5sing1.38Å1.40ÅAromatic
C18O19doub1.22Å1.21Å
N33N35sing1.40Å1.40ÅAromatic
N33C34sing1.46Å1.46Å
C5C2sing1.51Å1.52Å
F1C2sing1.40Å1.40Å
C2F4sing1.40Å1.40Å
C2F3sing1.40Å1.39Å
C6H2sing1.08Å1.08Å
C8H3sing1.08Å1.08Å
C12H1sing1.09Å1.10Å
C15H9sing1.09Å1.10Å
C16H11sing1.09Å1.10Å
C16H10sing1.09Å1.10Å
C17H12sing1.09Å1.10Å
C17H13sing1.09Å1.10Å
C23H15sing1.08Å1.08Å
C32H18sing1.08Å1.08Å
C34H20sing1.09Å1.10Å
C34H19sing1.09Å1.10Å
C34H21sing1.09Å1.10Å
C36H22sing1.08Å1.08Å
C10H4sing1.09Å1.10Å
C10H5sing1.09Å1.10Å
C14H8sing1.09Å1.10Å
C14H7sing1.09Å1.10Å
C14H6sing1.09Å1.10Å
C22H14sing1.08Å1.08Å
N27H17sing0.97Å1.00Å
N27H16sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N24C23C22119.7°119.2°
C23N24N25131.2°132.1°
C23N24C29121.4°119.9°
N24C23H15120.1°120.4°
C23C22C21118.4°119.4°
C22C23H15120.1°120.4°
C23C22H14120.8°120.3°
N24N25C26109.7°109.2°
N25N24C29107.4°108.0°
N25C26N27121.3°125.6°
N25C26C28109.2°108.8°
N24C29C28108.0°106.9°
N24C29N30118.5°120.8°
C22C21N30119.3°120.0°
C22C21C7122.0°120.0°
C21C22H14120.8°120.3°
N27C26C28129.5°125.6°
C26N27H17109.5°120.0°
C26N27H16109.5°120.0°
C14C12C15109.1°109.5°
C14C12N11110.0°109.5°
C14C12H1109.7°109.5°
C12C14H8109.5°109.4°
C12C14H7109.5°109.5°
C12C14H6109.5°109.5°
C26C28C29105.7°107.2°
C26C28C31129.2°126.4°
C9C10N11106.2°106.2°
C10C9C8130.0°133.1°
C10C9C20108.1°106.4°
C9C10H4110.3°110.1°
C9C10H5110.3°110.1°
C10N11C12123.7°125.6°
C10N11C18108.5°108.8°
N11C10H4110.3°110.0°
N11C10H5110.3°110.1°
C9C8C7121.0°119.8°
C8C9C20121.9°120.5°
C9C8H3119.5°120.0°
C8C7C21121.3°120.0°
C8C7C6117.9°119.9°
C7C8H3119.5°120.1°
C28C29N30133.5°132.3°
C29C28C31125.1°126.4°
C29N30C21122.6°120.7°
N30C21C7118.6°120.0°
C21C7C6120.8°120.0°
C28C31C32125.6°126.2°
C28C31C36128.4°126.2°
C9C20C18106.1°108.2°
C9C20C5118.3°119.6°
C7C6C5121.9°120.2°
C7C6H2119.0°119.9°
C15C12N11107.9°109.5°
C12C15C16119.5°117.5°
C12C15C17115.9°117.5°
C15C12H1109.7°109.4°
C12C15H9116.5°115.5°
C12N11C18127.8°125.6°
N11C12H1110.5°109.4°
C16C15C1760.1°60.0°
C15C16C1760.0°60.0°
C16C15H9116.5°117.5°
C15C16H11120.0°117.5°
C15C16H10120.0°117.5°
C15C17C1659.9°60.0°
C17C15H9116.4°117.5°
C15C17H12120.0°117.5°
C15C17H13120.0°117.5°
N11C18C20111.1°110.3°
N11C18O19124.2°124.9°
C32C31C36105.9°107.6°
C31C32N33108.6°107.6°
C31C32H18125.7°126.2°
C31C36N35109.1°108.2°
C31C36H22125.4°125.9°
C32N33N35108.0°108.2°
C32N33C34125.8°125.9°
N33C32H18125.7°126.2°
C17C16H11120.0°117.5°
C17C16H10120.0°117.5°
C16C17H12120.0°117.5°
C16C17H13120.0°117.5°
C36N35N33108.4°108.5°
N35C36H22125.5°126.0°
C18C20C5135.5°132.2°
C20C18O19124.7°124.8°
C20C5C6118.9°120.0°
C20C5C2121.3°120.0°
C6C5C2119.8°120.0°
C5C6H2119.0°119.9°
N35N33C34126.1°125.9°
N33C34H20109.5°109.5°
N33C34H19109.5°109.4°
N33C34H21109.5°109.5°
C5C2F1109.0°109.5°
C5C2F4114.1°109.5°
C5C2F3110.0°109.5°
F1C2F4108.9°109.4°
F1C2F3108.4°109.5°
F4C2F3106.2°109.5°
H11C16H10109.5°115.5°
H12C17H13109.5°115.6°
H20C34H19109.5°109.4°
H20C34H21109.4°109.5°
H19C34H21109.4°109.5°
H4C10H5109.5°110.2°
H8C14H7109.5°109.4°
H8C14H6109.4°109.5°
H7C14H6109.5°109.5°
H17N27H16109.5°119.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N24C23C22H15180.0°179.8°
C23N24N25C29179.8°179.7°
C23N24N25C26179.9°180.0°
N24C23C22C210.7°0.0°
C23N24C29C28179.8°179.8°
C23N24C29N300.1°0.5°
N24C23C22H14179.3°179.9°
C22C23N24N25179.8°180.0°
C22C23N24C290.4°0.2°
C23C22C21H14180.0°179.9°
C23C22C21N300.8°0.0°
C23C22C21C7179.2°179.7°
N24N25C26N27179.6°180.0°
N24N25C26C280.1°0.1°
N25N24C29C280.4°0.4°
N25N24C29N30179.9°179.7°
N25N24C23H150.2°0.2°
C26N25N24C290.3°0.3°
N25C26N27C28179.4°179.9°
N25C26C28C290.1°0.2°
N25C26C28C31178.2°179.9°
N25C26N27H170.0°0.1°
N25C26N27H16120.0°179.9°
N24C29C28C260.3°0.3°
N24C29C28N30179.7°179.2°
N24C29N30C210.2°0.5°
N24C29C28C31178.5°179.9°
C29N24C23H15179.6°180.0°
C22C21C7C827.5°179.7°
C22C21N30C290.5°0.3°
C22C21N30C7178.5°179.7°
C22C21C7C6151.9°0.3°
C21C22C23H15179.2°179.8°
N27C26C28C29179.3°179.8°
N27C26C28C311.2°0.0°
C26N27H17H16120.0°180.0°
C14C12N11C1054.9°119.9°
C14C12C15N11119.5°120.1°
C14C12C15H1120.1°120.0°
C14C12N11H1121.2°120.0°
C14C12C15C16103.9°60.0°
C14C12C15C17172.7°128.6°
C14C12N11C18125.6°59.9°
C14C12C15H944.7°85.7°
C12C14H8H7120.0°119.9°
C12C14H8H6120.0°120.0°
C12C14H7H6120.0°120.1°
C26C28C29C31178.2°179.7°
C26C28C29N30180.0°179.6°
C26C28C31C32157.3°65.1°
C26C28C31C3619.9°115.3°
C28C26N27H17179.4°180.0°
C28C26N27H1659.4°0.0°
C9C10N11H4119.5°119.1°
C9C10N11H5119.5°119.2°
C10C9C8C20179.9°179.7°
C10C9C8C7179.7°180.0°
C9C10N11C12179.2°179.9°
C9C10N11C180.3°0.1°
C10C9C20C180.2°0.4°
C10C9C20C5179.5°179.7°
C10C9C8H30.3°0.3°
C9C10H4H5121.5°121.6°
N11C10C9C8179.6°180.0°
N11C10C9C200.3°0.3°
C10N11C12C1564.0°120.0°
C10N11C12C18179.4°179.8°
C10N11C18C200.2°0.2°
C10N11C18O19179.8°180.0°
C10N11C12H1176.1°0.1°
N11C10H4H5121.5°121.6°
C9C8C7H3180.0°179.7°
C9C8C7C21179.4°180.0°
C9C8C7C60.0°0.1°
C8C9C20C18179.7°179.9°
C8C9C20C50.4°0.6°
C8C9C10H460.9°60.9°
C8C9C10H560.1°60.8°
C8C7C21N30154.1°0.0°
C8C7C21C6179.4°180.0°
C7C8C9C200.2°0.3°
C8C7C6C50.1°0.0°
C8C7C6H2179.9°180.0°
C28C29N30C21179.8°179.7°
C29C28C31C3220.4°115.2°
C29C28C31C36162.3°64.4°
C29N30C21C7179.0°180.0°
N30C29C28C311.8°0.7°
N30C21C7C626.5°180.0°
N30C21C22H14179.2°180.0°
C21C7C6C5179.4°180.0°
C21C7C6H20.6°0.0°
C21C7C8H30.6°0.3°
C7C21C22H140.8°0.3°
C28C31C32C36177.8°179.6°
C28C31C32N33178.2°179.7°
C28C31C36N35178.7°179.7°
C28C31C32H181.8°0.5°
C28C31C36H221.3°0.3°
C9C20C18N110.0°0.4°
C9C20C18C5179.2°179.2°
C9C20C5C60.4°0.5°
C9C20C18O19179.6°179.8°
C9C20C5C2179.7°179.7°
C20C9C8H3179.8°180.0°
C20C9C10H4119.2°119.4°
C20C9C10H5119.8°118.9°
C7C6C5C200.3°0.3°
C7C6C5H2180.0°180.0°
C7C6C5C2179.6°180.0°
C6C7C8H3180.0°179.7°
C15C12N11H1119.9°119.9°
C12C15C16C17104.7°107.5°
C12C15C16H9148.6°145.0°
C12C15C17H9142.6°145.0°
C15C12N11C18115.4°60.1°
C12C15C16H114.8°0.0°
C12C15C16H10145.9°145.0°
C12C15C17H12139.9°145.1°
C12C15C17H131.2°0.1°
C15C12C14H8180.0°60.0°
C15C12C14H760.0°60.0°
C15C12C14H660.0°180.0°
N11C12C15C16136.6°179.9°
N11C12C15C1767.9°111.3°
C12N11C18C20179.3°179.7°
C12N11C18O190.3°0.1°
N11C12C15H974.7°34.4°
C12N11C10H461.3°61.0°
C12N11C10H559.8°60.7°
N11C12C14H861.8°60.1°
N11C12C14H758.2°180.0°
N11C12C14H6178.2°59.9°
C16C15C17H9106.7°107.5°
C15C16C17H11109.5°107.5°
C15C16C17H10109.5°107.5°
C16C15C12H116.2°60.0°
C15C16H11H10144.7°145.7°
C16C15C17H12109.5°107.4°
C16C15C17H13109.4°107.4°
C17C15C12H152.5°8.6°
C15C17H12H13144.8°145.8°
N11C18C20O19179.6°179.8°
N11C18C20C5179.2°179.5°
C18N11C12H14.5°180.0°
C18N11C10H4119.2°119.2°
C18N11C10H5119.8°119.1°
C31C32N33H18180.0°179.8°
C32C31C36N351.1°0.0°
C31C32N33N350.3°0.1°
C31C32N33C34178.6°180.0°
C32C31C36H22179.0°180.0°
C36C31C32N330.4°0.1°
C31C36N35H22180.0°180.0°
C31C36N35N331.3°0.0°
C36C31C32H18179.6°179.9°
C32N33N35C361.0°0.0°
C32N33N35C34178.2°179.9°
C32N33C34H20177.9°90.0°
C32N33C34H1962.1°150.0°
C32N33C34H2157.9°30.1°
C17C16H11H10144.7°145.7°
C16C17H12H13144.7°145.6°
C36N35N33C34179.3°180.0°
C18C20C5C6179.5°179.6°
C18C20C5C21.2°0.6°
C20C5C6C2179.3°179.8°
C5C20C18O190.4°0.7°
C20C5C2F170.1°60.3°
C20C5C2F4167.9°179.8°
C20C5C2F348.7°59.8°
C20C5C6H2179.7°179.7°
C6C5C2F1109.2°119.9°
C6C5C2F412.8°0.0°
C6C5C2F3132.0°120.0°
N35N33C32H18179.7°179.9°
N35N33C34H200.0°89.9°
N35N33C34H19120.0°30.0°
N35N33C34H21120.0°150.0°
N33N35C36H22178.7°180.0°
C34N33C32H181.4°0.2°
N33C34H20H19120.0°120.0°
N33C34H20H21120.0°120.0°
N33C34H19H21120.0°120.0°
C5C2F1F4125.0°120.0°
C5C2F1F3119.8°120.0°
C5C2F4F3121.3°120.0°
C2C5C6H20.4°0.0°
F1C2F4F3116.6°120.0°
H1C12C15H9164.9°154.3°
H1C12C14H859.8°180.0°
H1C12C14H7179.9°60.0°
H1C12C14H660.1°60.1°
H9C15C16H11143.8°145.0°
H9C15C16H102.8°0.0°
H9C15C17H122.7°0.1°
H9C15C17H13143.8°145.1°
H11C16C17H12141.1°145.0°
H11C16C17H130.0°0.1°
H10C16C17H120.0°0.0°
H10C16C17H13141.0°145.0°
H15C23C22H140.8°0.2°
H20C34H19H21120.0°120.0°
H8C14H7H6120.0°120.0°

222624

PDB entries from 2024-07-17

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