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95Q

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N22C20sing1.40Å1.36Å
C20N21sing1.34Å1.35ÅAromatic
C20N19doub1.31Å1.35ÅAromatic
N21C17doub1.32Å1.35ÅAromatic
N19N18sing1.40Å1.40ÅAromatic
C17N18sing1.35Å1.35ÅAromatic
C17N14sing1.38Å1.45Å
C13N14sing1.47Å1.48Å
C13C12sing1.53Å1.53Å
N14C15sing1.47Å1.48Å
C3C4doub1.38Å1.39ÅAromatic
C3C2sing1.38Å1.39ÅAromatic
C12C11sing1.53Å1.53Å
C4C5sing1.38Å1.39ÅAromatic
CL7C2sing1.74Å1.78Å
C2C1doub1.38Å1.39ÅAromatic
C15C16sing1.53Å1.53Å
C5C8sing1.51Å1.52Å
C5C6doub1.38Å1.39ÅAromatic
C11C16sing1.53Å1.53Å
C11N10sing1.47Å1.48Å
C8C9sing1.53Å1.53Å
C1C6sing1.38Å1.39ÅAromatic
C9N10sing1.47Å1.48Å
N10C23sing1.47Å1.48Å
C23C24sing1.51Å1.51Å
C24C29doub1.38Å1.39ÅAromatic
C24C25sing1.38Å1.39ÅAromatic
C29C28sing1.38Å1.38ÅAromatic
C25C26doub1.38Å1.39ÅAromatic
C28C27doub1.38Å1.39ÅAromatic
C26C27sing1.38Å1.39ÅAromatic
C1H1sing1.08Å1.08Å
C6H2sing1.08Å1.08Å
C4H3sing1.08Å1.08Å
C3H4sing1.08Å1.08Å
C8H5sing1.09Å1.10Å
C8H6sing1.09Å1.10Å
C9H7sing1.09Å1.10Å
C9H8sing1.09Å1.10Å
C23H10sing1.09Å1.10Å
C23H11sing1.09Å1.10Å
C25H12sing1.08Å1.08Å
C26H13sing1.08Å1.08Å
C27H14sing1.08Å1.08Å
C28H15sing1.08Å1.08Å
C29H16sing1.08Å1.08Å
C11H17sing1.09Å1.10Å
C12H18sing1.09Å1.10Å
C12H19sing1.09Å1.10Å
C13H20sing1.09Å1.10Å
C13H21sing1.09Å1.10Å
C15H22sing1.09Å1.10Å
C15H23sing1.09Å1.10Å
C16H24sing1.09Å1.10Å
C16H25sing1.09Å1.10Å
N18H26sing0.97Å1.00Å
N22H27sing0.97Å1.00Å
N22H28sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N22C20N21123.3°125.5°
N22C20N19121.4°125.5°
C20N22H27109.5°120.0°
C20N22H28109.4°120.0°
N21C20N19115.3°108.9°
C20N21C17100.0°109.6°
C20N19N18104.9°107.0°
N21C17N18116.2°108.0°
N21C17N14120.9°126.0°
N19N18C17103.6°106.4°
N19N18H26128.2°126.8°
N18C17N14122.9°126.0°
C17N18H26128.2°126.7°
C17N14C13111.5°111.0°
C17N14C15111.8°111.0°
N14C13C12108.9°109.5°
C13N14C15112.3°111.2°
N14C13H20109.6°109.5°
N14C13H21109.6°109.5°
C13C12C11108.2°109.3°
C13C12H18109.8°109.5°
C13C12H19109.8°109.5°
C12C13H20109.6°109.4°
C12C13H21109.6°109.5°
N14C15C16108.1°109.5°
N14C15H22109.8°109.5°
N14C15H23109.8°109.4°
C4C3C2120.2°120.0°
C3C4C5119.9°120.0°
C3C4H3120.0°120.1°
C4C3H4119.9°120.0°
C3C2CL7120.2°120.0°
C3C2C1120.1°119.9°
C2C3H4119.9°120.0°
C12C11C16109.0°109.2°
C12C11N10112.4°109.5°
C12C11H17108.1°109.6°
C11C12H18109.8°109.6°
C11C12H19109.8°109.5°
C4C5C8121.0°120.0°
C4C5C6119.3°120.0°
C5C4H3120.0°119.9°
CL7C2C1119.7°120.0°
C2C1C6119.5°120.0°
C2C1H1120.2°120.0°
C15C16C11110.2°109.3°
C16C15H22109.8°109.5°
C16C15H23109.8°109.4°
C15C16H24109.3°109.6°
C15C16H25109.3°109.5°
C8C5C6119.6°120.0°
C5C8C9111.4°109.5°
C5C8H5109.0°109.4°
C5C8H6109.0°109.5°
C5C6C1120.9°120.0°
C5C6H2119.6°120.0°
C16C11N10110.2°109.5°
C16C11H17108.1°109.5°
C11C16H24109.3°109.4°
C11C16H25109.3°109.5°
C11N10C9110.5°111.0°
C11N10C23106.1°111.0°
N10C11H17108.8°109.5°
C8C9N10112.7°109.5°
C9C8H5109.0°109.4°
C9C8H6109.0°109.5°
C8C9H7108.7°109.4°
C8C9H8108.7°109.5°
C6C1H1120.3°120.0°
C1C6H2119.5°120.0°
C9N10C23112.4°111.0°
N10C9H7108.7°109.5°
N10C9H8108.6°109.5°
N10C23C24112.9°109.5°
N10C23H10108.6°109.5°
N10C23H11108.6°109.4°
C23C24C29117.8°120.0°
C23C24C25119.1°120.0°
C24C23H10108.6°109.5°
C24C23H11108.6°109.5°
C29C24C25117.1°120.0°
C24C29C28119.2°120.0°
C24C29H16120.4°120.0°
C24C25C26119.2°120.0°
C24C25H12120.4°120.1°
C29C28C27119.8°120.0°
C29C28H15120.1°120.0°
C28C29H16120.4°120.0°
C25C26C27119.4°119.9°
C26C25H12120.4°120.0°
C25C26H13120.3°120.0°
C28C27C26119.4°120.0°
C28C27H14120.3°120.0°
C27C28H15120.1°120.0°
C27C26H13120.3°120.0°
C26C27H14120.3°119.9°
H5C8H6109.5°109.5°
H7C9H8109.5°109.5°
H10C23H11109.5°109.5°
H18C12H19109.5°109.5°
H20C13H21109.5°109.5°
H22C15H23109.4°109.5°
H24C16H25109.5°109.5°
H27N22H28109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N22C20N21N19179.8°179.6°
N22C20N21C17179.6°180.0°
N22C20N19N18179.1°179.8°
C20N22H27H28120.0°180.0°
N21C20N19N181.0°0.2°
C20N21C17N180.1°0.5°
C20N21C17N14177.8°179.8°
N21C20N22H270.0°0.0°
N21C20N22H28120.0°180.0°
N19C20N21C170.6°0.4°
C20N19N18C171.0°0.0°
C20N19N18H26179.1°180.0°
N19C20N22H27179.8°179.5°
N19C20N22H2860.2°0.5°
N21C17N18N190.7°0.3°
N21C17N18N14177.7°179.7°
N21C17N14C1358.0°0.3°
N21C17N14C15175.4°123.9°
N21C17N18H26179.4°179.8°
N19N18C17H26180.0°179.9°
N19N18C17N14178.4°180.0°
N18C17N14C13124.4°179.9°
N18C17N14C152.3°55.8°
C17N14C13C15126.4°124.1°
C17N14C13C12171.2°174.2°
C17N14C15C16173.3°174.1°
C17N14C13H2051.2°65.9°
C17N14C13H2168.9°54.1°
C17N14C15H2266.8°65.8°
C17N14C15H2353.5°54.2°
N14C17N18H261.6°0.1°
N14C13C12H20119.9°120.0°
N14C13C12H21119.9°120.0°
N14C13C12C1160.4°59.1°
C13N14C15C1660.5°61.8°
N14C13C12H1859.4°179.2°
N14C13C12H19179.8°60.8°
N14C13H20H21120.2°120.0°
C13N14C15H2259.4°58.3°
C13N14C15H23179.7°178.2°
C12C13N14C1562.4°61.7°
C13C12C11H18119.8°120.0°
C13C12C11H19119.8°120.0°
C13C12C11C1659.5°57.6°
C13C12C11N10177.9°177.6°
C13C12C11H1757.8°62.3°
C13C12H18H19120.6°120.1°
C12C13H20H21120.2°120.0°
N14C15C16H22119.8°120.1°
N14C15C16H23119.8°120.0°
N14C15C16C1158.2°59.2°
C15N14C13H20177.6°58.2°
C15N14C13H2157.5°178.2°
N14C15H22H23120.6°120.0°
N14C15C16H24178.3°60.7°
N14C15C16H2561.9°179.2°
C4C3C2H4180.0°179.4°
C3C4C5H3180.0°179.7°
C4C3C2CL7179.8°179.7°
C4C3C2C10.1°0.6°
C3C4C5C8179.9°179.7°
C3C4C5C60.9°0.3°
C2C3C4C50.5°0.6°
C3C2CL7C1179.9°179.8°
C3C2C1C60.0°0.2°
C3C2C1H1180.0°179.7°
C2C3C4H3179.4°179.6°
C12C11C16C1559.3°57.6°
C12C11C16N10123.9°119.9°
C12C11C16H17117.3°120.0°
C12C11N10H17119.8°120.2°
C12C11N10C960.3°56.7°
C12C11N10C23177.7°179.3°
C11C12H18H19120.6°120.1°
C11C12C13H20179.6°60.8°
C11C12C13H2159.5°179.2°
C12C11C16H24179.4°62.3°
C12C11C16H2560.8°177.6°
C4C5C8C6179.2°180.0°
C4C5C8C962.4°90.0°
C4C5C6C10.8°0.0°
C4C5C6H2179.3°180.0°
C5C4C3H4179.5°180.0°
C4C5C8H5177.3°30.0°
C4C5C8H657.9°150.0°
CL7C2C1C6179.9°180.0°
CL7C2C1H10.1°0.1°
CL7C2C3H40.2°0.3°
C2C1C6C50.3°0.1°
C2C1C6H1180.0°179.9°
C2C1C6H2179.7°180.0°
C1C2C3H4179.9°180.0°
C15C16C11H24120.1°120.0°
C15C16C11H25120.1°120.0°
C15C16C11N10176.9°177.6°
C15C16C11H1758.1°62.3°
C16C15H22H23120.7°120.0°
C15C16H24H25119.6°120.1°
C5C8C9H5120.3°119.9°
C5C8C9H6120.3°120.0°
C8C5C6C1180.0°180.0°
C5C8C9N10167.9°180.0°
C8C5C6H20.1°0.0°
C8C5C4H30.1°0.1°
C5C8H5H6119.1°120.0°
C5C8C9H771.6°60.0°
C5C8C9H847.5°60.0°
C6C5C8C9118.4°90.0°
C5C6C1H2180.0°179.9°
C5C6C1H1179.7°180.0°
C6C5C4H3179.1°179.9°
C6C5C8H51.9°150.0°
C6C5C8H6121.3°30.0°
C16C11N10H17118.4°120.1°
C16C11N10C9177.8°176.4°
C16C11N10C2355.8°59.6°
C16C11C12H1860.2°177.6°
C16C11C12H19179.3°62.3°
C11C16C15H2261.6°60.9°
C11C16C15H23178.0°179.2°
C11C16H24H25119.7°120.1°
C11N10C9C855.8°170.0°
C11N10C9C23118.3°124.0°
C11N10C23C24169.7°63.5°
C11N10C9H764.7°70.0°
C11N10C9H8176.2°50.0°
C11N10C23H1049.2°56.5°
C11N10C23H1169.8°176.5°
N10C11C12H1862.3°62.4°
N10C11C12H1958.1°57.6°
N10C11C16H2456.8°57.6°
N10C11C16H2563.0°62.4°
C8C9N10H7120.5°120.0°
C8C9N10H8120.5°120.0°
C8C9N10C2362.6°66.0°
C9C8H5H6119.1°120.0°
C8C9H7H8118.5°120.0°
C9N10C23C2448.8°60.5°
N10C9C8H547.6°60.0°
N10C9C8H671.8°60.0°
N10C9H7H8118.5°120.0°
C9N10C23H1071.7°179.5°
C9N10C23H11169.3°59.5°
C9N10C11H1759.5°63.5°
N10C23C24H10120.5°120.0°
N10C23C24H11120.5°119.9°
N10C23C24C29122.9°87.1°
N10C23C24C2585.2°92.6°
C23N10C9H7177.0°53.9°
C23N10C9H857.9°174.0°
N10C23H10H11118.4°120.0°
C23N10C11H1762.6°60.5°
C23C24C29C25152.5°179.8°
C23C24C29C28179.9°179.8°
C23C24C25C26179.7°180.0°
C24C23H10H11118.4°120.1°
C23C24C25H120.4°0.0°
C23C24C29H160.1°0.1°
C24C29C28H16180.0°179.8°
C29C24C25C2627.5°0.2°
C24C29C28C2713.1°0.4°
C29C24C23H102.4°32.9°
C29C24C23H11116.6°152.9°
C29C24C25H12152.5°179.7°
C24C29C28H15166.9°179.8°
C25C24C29C2827.4°0.5°
C24C25C26H12180.0°180.0°
C24C25C26C2713.4°0.0°
C25C24C23H10154.3°147.4°
C25C24C23H1135.4°27.3°
C24C25C26H13166.6°180.0°
C25C24C29H16152.6°179.7°
C29C28C27H15180.0°179.8°
C29C28C27C261.4°0.2°
C29C28C27H14178.6°179.8°
C25C26C27C281.2°0.1°
C25C26C27H13180.0°179.9°
C25C26C27H14178.8°180.0°
C28C27C26H14180.0°179.9°
C28C27C26H13178.7°180.0°
C27C28C29H16166.9°179.7°
C27C26C25H12166.6°180.0°
C26C27C28H15178.6°180.0°
H1C1C6H20.3°0.0°
H3C4C3H40.5°0.2°
H5C8C9H7168.1°180.0°
H5C8C9H872.8°60.0°
H6C8C9H748.7°60.0°
H6C8C9H8167.8°180.0°
H12C25C26H1313.4°0.1°
H13C26C27H141.2°0.1°
H14C27C28H151.4°0.0°
H15C28C29H1613.1°0.1°
H17C11C12H18177.5°57.6°
H17C11C12H1962.0°177.7°
H17C11C16H2462.0°177.7°
H17C11C16H25178.2°57.6°
H18C12C13H2060.6°59.2°
H18C12C13H21179.3°60.8°
H19C12C13H2059.9°179.2°
H19C12C13H2160.3°59.3°
H22C15C16H2458.5°179.2°
H22C15C16H25178.3°59.1°
H23C15C16H2461.9°59.3°
H23C15C16H2557.9°60.9°

222624

PDB entries from 2024-07-17

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