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8HT

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C23C24doub1.38Å1.38ÅAromatic
C23C22sing1.38Å1.38ÅAromatic
C24C25sing1.38Å1.38ÅAromatic
C22C21doub1.38Å1.38ÅAromatic
C25C20doub1.39Å1.38ÅAromatic
C21C20sing1.39Å1.38ÅAromatic
C20C17sing1.48Å1.45Å
C18C17doub1.39Å1.39ÅAromatic
C18C19sing1.38Å1.38ÅAromatic
C17C16sing1.40Å1.38ÅAromatic
C19C14doub1.40Å1.38ÅAromatic
C16C15doub1.38Å1.38ÅAromatic
C14C15sing1.40Å1.38ÅAromatic
C14C12sing1.48Å1.47Å
N11C12sing1.35Å1.39Å
N11C9sing1.47Å1.46Å
C12O13doub1.22Å1.23Å
N27C28sing1.38Å1.37ÅAromatic
N27C26sing1.36Å1.31ÅAromatic
C29C28doub1.39Å1.39ÅAromatic
C29C30sing1.38Å1.38ÅAromatic
C8C9sing1.53Å1.49Å
C8C7sing1.53Å1.50Å
C28C33sing1.41Å1.39ÅAromatic
C9C26sing1.51Å1.47Å
C26N34doub1.30Å1.37ÅAromatic
C2C3sing1.51Å1.52Å
C30C31doub1.39Å1.39ÅAromatic
C6C7sing1.53Å1.49Å
C6N5sing1.46Å1.45Å
C33N34sing1.36Å1.36ÅAromatic
C33C32doub1.40Å1.38ÅAromatic
C3N5sing1.37Å1.37Å
C3N4doub1.29Å1.29Å
C31C32sing1.37Å1.38ÅAromatic
C23H1sing1.08Å1.08Å
C22H2sing1.08Å1.08Å
C24H3sing1.08Å1.08Å
C30H4sing1.08Å1.08Å
C31H5sing1.08Å1.08Å
C21H6sing1.08Å1.08Å
C25H7sing1.08Å1.08Å
C16H8sing1.08Å1.08Å
C18H9sing1.08Å1.08Å
C15H10sing1.08Å1.08Å
C19H11sing1.08Å1.08Å
C29H12sing1.08Å1.08Å
C32H13sing1.08Å1.08Å
C2H14sing1.09Å1.10Å
C2H15sing1.09Å1.10Å
C7H17sing1.09Å1.10Å
C7H18sing1.09Å1.10Å
C8H19sing1.09Å1.10Å
C8H20sing1.09Å1.10Å
C6H21sing1.09Å1.10Å
C6H22sing1.09Å1.10Å
C9H23sing1.09Å1.10Å
N27H24sing0.97Å1.00Å
N4H25sing0.97Å1.00Å
N11H27sing0.97Å1.00Å
N5H28sing0.97Å1.00Å
C2F1sing1.40Å1.69Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C24C23C22120.1°120.3°
C23C24C25119.9°120.1°
C24C23H1119.9°119.9°
C23C24H3120.0°120.0°
C23C22C21119.5°120.1°
C22C23H1119.9°119.9°
C23C22H2120.3°120.0°
C24C25C20120.6°119.8°
C25C24H3120.1°119.9°
C24C25H7119.7°120.1°
C22C21C20121.1°119.9°
C21C22H2120.3°119.9°
C22C21H6119.5°120.0°
C25C20C21118.8°119.8°
C25C20C17120.1°120.1°
C20C25H7119.7°120.1°
C21C20C17121.1°120.2°
C20C21H6119.4°120.1°
C20C17C18118.8°120.0°
C20C17C16122.1°120.0°
C17C18C19121.1°120.0°
C18C17C16119.1°120.0°
C17C18H9119.5°120.0°
C18C19C14119.3°120.0°
C19C18H9119.4°120.0°
C18C19H11120.4°120.0°
C17C16C15120.2°120.0°
C17C16H8119.9°120.0°
C19C14C15120.6°120.0°
C19C14C12118.4°120.0°
C14C19H11120.4°120.0°
C16C15C14119.8°120.0°
C15C16H8119.9°120.0°
C16C15H10120.1°120.0°
C15C14C12121.0°120.1°
C14C15H10120.1°120.0°
C14C12N11113.7°119.9°
C14C12O13119.1°120.0°
C12N11C9121.3°120.0°
N11C12O13127.1°120.0°
C12N11H27119.4°120.1°
N11C9C8111.9°109.5°
N11C9C26109.1°109.5°
N11C9H23108.7°109.4°
C9N11H27119.3°120.0°
C28N27C26104.3°107.2°
N27C28C29129.6°134.1°
N27C28C33110.7°106.0°
C28N27H24127.9°126.3°
N27C26C9127.1°124.9°
N27C26N34113.0°110.1°
C26N27H24127.9°126.4°
C28C29C30116.3°119.7°
C29C28C33119.7°119.8°
C28C29H12121.9°120.1°
C29C30C31122.7°120.5°
C29C30H4118.6°119.8°
C30C29H12121.9°120.2°
C9C8C7108.2°109.4°
C8C9C26110.2°109.5°
C9C8H19109.8°109.5°
C9C8H20109.8°109.5°
C8C9H23108.3°109.5°
C8C7C6106.7°109.4°
C8C7H17110.2°109.5°
C8C7H18110.2°109.5°
C7C8H19109.8°109.5°
C7C8H20109.8°109.5°
C28C33N34105.3°106.9°
C28C33C32124.6°119.5°
C9C26N34119.8°124.9°
C26C9H23108.5°109.5°
C26N34C33106.8°109.7°
C2C3N5118.3°120.0°
C2C3N4118.4°120.0°
C3C2H14110.2°109.5°
C3C2H15110.2°109.5°
C3C2F1106.7°109.5°
C30C31C32122.0°120.7°
C31C30H4118.6°119.7°
C30C31H5119.0°119.6°
C7C6N5108.3°109.5°
C6C7H17110.1°109.5°
C6C7H18110.2°109.5°
C7C6H21109.7°109.5°
C7C6H22109.8°109.4°
C6N5C3120.6°120.0°
N5C6H21109.8°109.5°
N5C6H22109.7°109.4°
C6N5H28119.7°120.1°
N34C33C32130.1°133.6°
C33C32C31114.7°119.9°
C33C32H13122.6°120.1°
N5C3N4123.2°120.0°
C3N5H28119.7°119.9°
C3N4H25112.0°120.0°
C32C31H5119.0°119.7°
C31C32H13122.7°120.1°
H14C2H15109.5°109.5°
H14C2F1110.2°109.4°
H15C2F1110.1°109.5°
H17C7H18109.5°109.5°
H19C8H20109.5°109.5°
H21C6H22109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C24C23C22H1180.0°179.8°
C23C24C25H3180.0°180.0°
C24C23C22C210.5°0.0°
C23C24C25C200.1°0.1°
C24C23C22H2179.5°180.0°
C23C24C25H7179.9°179.9°
C22C23C24C250.2°0.1°
C23C22C21H2180.0°180.0°
C23C22C21C200.6°0.0°
C22C23C24H3179.9°180.0°
C23C22C21H6179.4°180.0°
C24C25C20H7180.0°180.0°
C24C25C20C210.1°0.1°
C24C25C20C17178.4°180.0°
C25C24C23H1179.9°179.7°
C22C21C20C250.3°0.0°
C22C21C20H6180.0°179.9°
C22C21C20C17178.7°180.0°
C21C22C23H1179.5°179.7°
C25C20C21C17178.4°179.9°
C25C20C17C1861.9°0.1°
C25C20C17C16118.3°180.0°
C20C25C24H3179.8°180.0°
C25C20C21H6179.7°180.0°
C21C20C17C18116.5°180.0°
C21C20C17C1663.3°0.0°
C20C21C22H2179.4°180.0°
C21C20C25H7179.9°179.9°
C20C17C18C16179.8°179.9°
C20C17C18C19179.7°179.4°
C20C17C16C15179.7°180.0°
C17C20C21H61.3°0.1°
C17C20C25H71.6°0.0°
C20C17C16H80.3°0.3°
C20C17C18H90.3°0.1°
C17C18C19H9180.0°179.5°
C17C18C19C140.1°0.8°
C18C17C16C150.1°0.0°
C18C17C16H8179.9°179.8°
C17C18C19H11179.9°180.0°
C19C18C17C160.1°0.5°
C18C19C14H11180.0°179.2°
C18C19C14C150.1°0.5°
C18C19C14C12179.8°180.0°
C17C16C15H8180.0°179.7°
C17C16C15C140.0°0.3°
C16C17C18H9179.9°180.0°
C17C16C15H10180.0°179.8°
C19C14C15C160.1°0.0°
C19C14C15C12179.9°179.5°
C19C14C12N1141.2°180.0°
C19C14C12O13138.7°0.0°
C14C19C18H9179.9°179.7°
C19C14C15H10179.9°180.0°
C16C15C14H10180.0°179.9°
C16C15C14C12179.8°179.4°
C15C14C12N11138.9°0.5°
C15C14C12O1341.2°179.5°
C14C15C16H8180.0°179.9°
C15C14C19H11180.0°179.7°
C14C12N11O13179.9°180.0°
C14C12N11C9172.6°180.0°
C12C14C15H100.2°0.5°
C12C14C19H110.1°0.8°
C14C12N11H277.4°0.1°
C12N11C9H27180.0°179.9°
C12N11C9C8177.6°155.0°
C12N11C9C2660.2°85.0°
C12N11C9H2358.0°35.0°
C9N11C12O137.3°0.0°
N11C9C26N2751.7°4.8°
N11C9C8C26121.6°120.0°
N11C9C8H23119.9°120.0°
N11C9C8C7172.5°65.0°
N11C9C26H23118.3°120.0°
N11C9C26N34127.2°175.0°
N11C9C8H1952.7°175.0°
N11C9C8H2067.7°55.0°
O13C12N11H27172.7°179.9°
C28N27C26H24180.0°179.9°
N27C28C29C33179.6°179.4°
N27C28C29C30179.9°180.0°
C28N27C26C9178.6°179.7°
C28N27C26N340.4°0.4°
N27C28C33N340.4°0.4°
N27C28C33C32179.4°179.6°
N27C28C29H120.1°0.0°
C26N27C28C29179.6°180.0°
N27C26C9C871.6°124.8°
C26N27C28C330.0°0.5°
N27C26C9N34178.8°179.8°
N27C26N34C330.6°0.2°
N27C26C9H23170.0°115.2°
C28C29C30H12180.0°179.9°
C28C29C30C310.8°0.1°
C29C28C33N34180.0°180.0°
C29C28C33C320.3°0.8°
C28C29C30H4179.2°179.7°
C29C28N27H240.4°0.1°
C30C29C28C330.3°0.6°
C29C30C31H4180.0°179.8°
C29C30C31C320.6°0.2°
C29C30C31H5179.4°179.7°
C9C8C7H19119.8°120.0°
C9C8C7H20119.8°120.0°
C8C9C26H23118.4°120.0°
C8C9C26N34109.6°55.1°
C9C8C7C6171.9°180.0°
C9C8C7H1768.6°60.0°
C9C8C7H1852.3°60.0°
C9C8H19H20120.6°120.0°
C8C9N11H272.5°25.0°
C7C8C9C2665.9°175.0°
C8C7C6H17119.6°120.0°
C8C7C6H18119.6°120.0°
C8C7C6N5178.6°180.0°
C8C7H17H18121.3°120.0°
C7C8H19H20120.6°120.0°
C8C7C6H2158.8°60.0°
C8C7C6H2261.6°60.1°
C7C8C9H2352.6°55.0°
C28C33N34C260.6°0.2°
C28C33N34C32179.8°179.0°
C28C33C32C310.4°0.6°
C33C28C29H12179.7°179.5°
C28C33C32H13179.5°179.5°
C33C28N27H24180.0°179.5°
C9C26N34C33178.4°180.0°
C26C9C8H19174.3°55.0°
C26C9C8H2053.8°65.0°
C9C26N27H241.5°0.2°
C26C9N11H27119.7°94.9°
C26N34C33C32179.2°179.2°
N34C26C9H238.8°65.0°
N34C26N27H24179.6°179.6°
C2C3N5C65.3°180.0°
C2C3N5N4176.7°179.9°
C3C2H14H15121.3°120.0°
C3C2H14F1117.5°120.0°
C3C2H15F1117.5°120.0°
C2C3N4H25176.7°180.0°
C2C3N5H28174.7°0.0°
C30C31C32C330.0°0.0°
C30C31C32H5180.0°180.0°
C31C30C29H12179.2°180.0°
C30C31C32H13180.0°180.0°
C7C6N5H21119.8°120.1°
C7C6N5H22119.8°119.9°
C7C6N5C3175.5°180.0°
C6C7H17H18121.3°120.0°
C6C7C8H1952.1°60.0°
C6C7C8H2068.4°60.0°
C7C6H21H22120.5°120.0°
C7C6N5H284.5°0.0°
C6N5C3H28180.0°180.0°
C6N5C3N4171.4°0.1°
N5C6C7H1761.8°60.0°
N5C6C7H1859.0°60.0°
N5C6H21H22120.5°120.0°
N34C33C32C31179.9°179.5°
N34C33C32H130.2°0.6°
C33C32C31H13180.0°179.9°
C33C32C31H5180.0°180.0°
N5C3C2H144.0°60.0°
N5C3C2H15124.9°60.0°
C3N5C6H2164.7°59.9°
C3N5C6H2255.7°60.1°
N5C3N4H250.0°0.0°
N5C3C2F1115.6°180.0°
N4C3C2H14179.1°120.0°
N4C3C2H1558.2°120.0°
N4C3N5H288.6°180.0°
N4C3C2F161.3°0.0°
C32C31C30H4179.4°180.0°
H1C23C22H20.5°0.3°
H1C23C24H30.1°0.3°
H2C22C21H60.6°0.0°
H3C24C25H70.2°0.0°
H4C30C31H50.6°0.0°
H4C30C29H120.8°0.2°
H5C31C32H130.0°0.1°
H8C16C15H100.0°0.0°
H9C18C19H110.1°0.5°
H14C2H15F1121.2°120.0°
H17C7C8H19171.6°60.0°
H17C7C8H2051.2°180.0°
H17C7C6H21178.3°180.0°
H17C7C6H2258.0°60.0°
H18C7C8H1967.5°NaN°
H18C7C8H20172.1°60.0°
H18C7C6H2160.8°60.0°
H18C7C6H22178.8°180.0°
H19C8C9H2367.2°65.0°
H20C8C9H23172.4°175.0°
H21C6N5H28115.3°120.0°
H22C6N5H28124.3°119.9°
H23C9N11H27122.0°145.0°

223532

PDB entries from 2024-08-07

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