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JEQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C24C25doub1.38Å1.47ÅAromatic
C24C23sing1.38Å1.38ÅAromatic
C25C20sing1.38Å1.34ÅAromatic
C23C22doub1.38Å1.39ÅAromatic
C20C19sing1.51Å1.55Å
C20C21doub1.38Å1.44ÅAromatic
C22C21sing1.38Å1.41ÅAromatic
C19N18sing1.47Å1.28Å
N18C26sing1.47Å1.43Å
N18C17sing1.47Å1.42Å
C26C27sing1.53Å1.52Å
C27C28sing1.53Å1.42Å
C17C16sing1.53Å1.50Å
C16C28sing1.53Å1.45Å
C16C15sing1.53Å1.54Å
C12C13doub1.34Å1.46ÅAromatic
C12C09sing1.46Å1.39ÅAromatic
C13N14sing1.37Å1.32ÅAromatic
N14C15sing1.46Å1.45Å
N14C08sing1.38Å1.38ÅAromatic
C09C10doub1.40Å1.42ÅAromatic
C09C08sing1.41Å1.43ÅAromatic
C10C11sing1.36Å1.40ÅAromatic
C08C07doub1.39Å1.45ÅAromatic
C11C06doub1.40Å1.49ÅAromatic
C07C06sing1.39Å1.38ÅAromatic
C06C05sing1.48Å1.51Å
C05N04doub1.31Å1.27ÅAromatic
C05C29sing1.47Å1.41ÅAromatic
N04N03sing1.40Å1.44ÅAromatic
C29C30sing1.43Å1.47Å
C29C02doub1.39Å1.44ÅAromatic
C30N31trip1.14Å1.18Å
N03C02sing1.35Å1.29ÅAromatic
C02N01sing1.38Å1.43Å
C10H1sing1.08Å1.08Å
C13H2sing1.08Å1.08Å
C15H3sing1.09Å1.10Å
C15H4sing1.09Å1.10Å
C17H5sing1.09Å1.10Å
C17H6sing1.09Å1.10Å
C21H7sing1.08Å1.08Å
C22H8sing1.08Å1.08Å
C24H9sing1.08Å1.08Å
C26H10sing1.09Å1.10Å
C26H11sing1.09Å1.10Å
C28H12sing1.09Å1.10Å
C28H13sing1.09Å1.10Å
N01H14sing0.97Å1.00Å
N01H15sing0.97Å1.00Å
N03H16sing0.97Å1.00Å
C07H17sing1.08Å1.08Å
C11H18sing1.08Å1.08Å
C12H19sing1.08Å1.08Å
C16H20sing1.09Å1.10Å
C19H22sing1.09Å1.10Å
C19H23sing1.09Å1.10Å
C23H24sing1.08Å1.08Å
C25H25sing1.08Å1.08Å
C27H26sing1.09Å1.10Å
C27H27sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C25C24C23120.1°120.0°
C24C25C20120.3°120.0°
C25C24H9119.9°120.0°
C24C25H25119.8°120.0°
C24C23C22119.9°120.0°
C23C24H9120.0°120.0°
C24C23H24120.1°120.0°
C25C20C19119.6°120.0°
C25C20C21119.3°120.0°
C20C25H25119.9°120.0°
C23C22C21120.0°120.0°
C23C22H8120.0°120.0°
C22C23H24120.0°120.0°
C19C20C21121.1°120.0°
C20C19N18112.6°109.4°
C20C19H22108.7°109.5°
C20C19H23108.7°109.5°
C20C21C22120.4°120.0°
C20C21H7119.8°120.0°
C22C21H7119.8°120.0°
C21C22H8120.0°120.0°
C19N18C26110.8°110.9°
C19N18C17111.2°111.0°
N18C19H22108.7°109.5°
N18C19H23108.7°109.5°
C26N18C17110.3°111.2°
N18C26C27113.6°109.5°
N18C26H10108.4°109.5°
N18C26H11108.4°109.5°
N18C17C16110.4°109.5°
N18C17H5109.3°109.5°
N18C17H6109.3°109.5°
C26C27C28113.4°109.3°
C27C26H10108.4°109.4°
C27C26H11108.4°109.4°
C26C27H26108.5°109.5°
C26C27H27108.5°109.5°
C27C28C16111.1°109.2°
C27C28H12109.1°109.5°
C27C28H13109.1°109.6°
C28C27H26108.5°109.5°
C28C27H27108.5°109.5°
C17C16C28109.9°109.3°
C17C16C15110.3°109.5°
C16C17H5109.2°109.4°
C16C17H6109.2°109.5°
C17C16H20109.2°109.5°
C28C16C15109.0°109.5°
C16C28H12109.1°109.6°
C16C28H13109.1°109.5°
C28C16H20109.9°109.5°
C16C15N14116.8°109.5°
C16C15H3107.6°109.4°
C16C15H4107.6°109.5°
C15C16H20108.6°109.6°
C13C12C09107.5°107.0°
C12C13N14108.4°110.0°
C12C13H2125.8°125.0°
C13C12H19126.2°126.5°
C12C09C10133.9°133.9°
C12C09C08105.3°106.0°
C09C12H19126.3°126.5°
C13N14C15124.5°125.1°
C13N14C08109.8°109.8°
N14C13H2125.8°125.0°
C15N14C08125.6°125.1°
N14C15H3107.7°109.5°
N14C15H4107.6°109.5°
N14C08C09109.1°107.1°
N14C08C07131.7°133.4°
C10C09C08120.9°120.1°
C09C10C11120.6°119.9°
C09C10H1119.7°120.0°
C09C08C07119.2°119.5°
C10C11C06118.6°120.4°
C11C10H1119.7°120.0°
C10C11H18120.7°119.8°
C08C07C06119.7°119.7°
C08C07H17120.1°120.2°
C11C06C07120.9°120.4°
C11C06C05121.0°119.8°
C06C11H18120.7°119.8°
C07C06C05117.7°119.9°
C06C07H17120.2°120.1°
C06C05N04120.6°126.4°
C06C05C29130.7°126.5°
N04C05C29108.0°107.1°
C05N04N03110.3°109.4°
C05C29C30132.5°126.9°
C05C29C02105.8°106.3°
N04N03C02107.6°109.7°
N04N03H16126.2°125.2°
C30C29C02121.6°126.8°
C29C30N31175.0°179.9°
C29C02N03108.2°107.5°
C29C02N01124.9°126.2°
N03C02N01126.9°126.3°
C02N03H16126.2°125.1°
C02N01H14109.5°120.0°
C02N01H15109.5°120.0°
H3C15H4109.5°109.5°
H5C17H6109.5°109.5°
H10C26H11109.4°109.5°
H12C28H13109.5°109.5°
H14N01H15109.5°120.0°
H22C19H23109.4°109.5°
H26C27H27109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C25C24C23H9180.0°179.4°
C24C25C20H25180.0°179.4°
C25C24C23C220.0°0.3°
C24C25C20C19179.8°179.7°
C24C25C20C210.5°0.5°
C25C24C23H24180.0°180.0°
C23C24C25C200.1°0.6°
C24C23C22H24180.0°179.7°
C24C23C22C210.7°0.0°
C24C23C22H8179.3°180.0°
C23C24C25H25179.9°180.0°
C25C20C19C21179.8°179.8°
C25C20C21C221.2°0.2°
C25C20C19N1882.4°89.7°
C25C20C21H7178.8°179.7°
C20C25C24H9179.8°180.0°
C25C20C19H22157.2°30.3°
C25C20C19H2338.1°150.3°
C23C22C21C201.3°0.1°
C23C22C21H8180.0°179.9°
C23C22C21H7178.7°179.9°
C22C23C24H9179.9°179.7°
C19C20C21C22179.1°180.0°
C20C19N18H22120.5°120.0°
C20C19N18H23120.5°120.0°
C20C19N18C26168.9°66.0°
C20C19N18C1768.0°169.7°
C19C20C21H70.9°0.1°
C20C19H22H23118.6°120.0°
C19C20C25H250.2°0.3°
C20C21C22H7180.0°179.9°
C21C20C19N1897.9°90.1°
C20C21C22H8178.7°180.0°
C21C20C19H2222.6°150.0°
C21C20C19H23141.7°29.9°
C21C20C25H25179.5°179.9°
C21C22C23H24179.3°179.7°
C19N18C26C17123.6°124.1°
C19N18C26C2772.6°174.2°
C19N18C17C1664.5°174.2°
C19N18C17H5175.3°65.8°
C19N18C17H655.6°54.2°
C19N18C26H1048.0°65.9°
C19N18C26H11166.8°54.2°
N18C19H22H23118.6°120.0°
N18C26C27H10120.6°120.0°
N18C26C27H11120.6°120.0°
N18C26C27C2847.0°59.2°
C26N18C17C1658.8°61.8°
C26N18C17H561.3°58.2°
C26N18C17H6179.0°178.2°
N18C26H10H11118.1°120.1°
C26N18C19H2270.6°174.0°
C26N18C19H2348.5°54.0°
N18C26C27H2673.6°179.1°
N18C26C27H27167.6°60.8°
C17N18C26C2750.9°61.8°
N18C17C16H5120.2°120.0°
N18C17C16H6120.2°120.0°
N18C17C16C2862.5°59.2°
N18C17C16C15177.3°60.8°
N18C17H5H6119.6°120.0°
C17N18C26H10171.6°58.2°
C17N18C26H1169.7°178.3°
N18C17C16H2058.1°179.1°
C17N18C19H2252.5°49.8°
C17N18C19H23171.5°70.3°
C26C27C28H26120.6°119.9°
C26C27C28H27120.6°120.0°
C26C27C28C1649.5°57.7°
C27C26H10H11118.1°119.9°
C26C27C28H12169.7°177.6°
C26C27C28H1370.8°62.3°
C26C27H26H27118.2°120.1°
C27C28C16C1757.1°57.7°
C27C28C16H12120.2°120.0°
C27C28C16H13120.2°120.0°
C27C28C16C15178.1°62.3°
C28C27C26H10167.6°60.8°
C28C27C26H1173.6°179.2°
C27C28H12H13119.3°120.2°
C27C28C16H2063.0°177.6°
C28C27H26H27118.2°120.1°
C17C16C28C15121.0°120.0°
C17C16C28H20120.1°119.9°
C17C16C15H20119.6°120.1°
C17C16C15N1461.7°174.6°
C17C16C15H3177.2°54.6°
C17C16C15H459.3°65.4°
C16C17H5H6119.5°120.0°
C17C16C28H12177.3°177.6°
C17C16C28H1363.2°62.3°
C28C16C15H20119.7°120.1°
C28C16C15N14177.6°65.6°
C28C16C15H356.5°174.4°
C28C16C15H461.4°54.4°
C28C16C17H557.7°60.8°
C28C16C17H6177.4°179.2°
C16C28H12H13119.3°120.1°
C16C28C27H2671.1°177.6°
C16C28C27H27170.1°62.3°
C16C15N14C1384.5°99.9°
C16C15N14H3121.0°120.0°
C16C15N14H4121.0°120.0°
C16C15N14C0899.5°79.9°
C16C15H3H4116.7°120.0°
C15C16C17H562.5°179.2°
C15C16C17H657.1°59.2°
C15C16C28H1261.7°57.6°
C15C16C28H1357.8°177.7°
C13C12C09H19180.0°179.9°
C12C13N14H2180.0°179.9°
C12C13N14C15178.2°180.0°
C12C13N14C081.6°0.1°
C13C12C09C10179.7°180.0°
C13C12C09C081.2°0.0°
C09C12C13N141.8°0.1°
C12C09C08N140.3°0.0°
C12C09C10C08178.3°179.9°
C12C09C10C11179.3°180.0°
C12C09C08C07179.6°179.4°
C12C09C10H10.8°0.3°
C09C12C13H2178.2°180.0°
C13N14C15C08176.0°179.9°
C13N14C08C090.9°0.1°
C13N14C08C07179.3°179.3°
C13N14C15H336.5°140.1°
C13N14C15H4154.5°20.1°
N14C13C12H19178.2°180.0°
C15N14C08C09177.3°180.0°
C15N14C08C072.8°0.8°
C15N14C13H21.9°0.1°
N14C15H3H4116.7°120.0°
N14C15C16H2057.8°54.5°
N14C08C09C10179.0°179.9°
N14C08C09C07179.9°179.4°
N14C08C07C06178.8°180.0°
C08N14C13H2178.4°180.0°
C08N14C15H3139.5°40.0°
C08N14C15H421.5°160.0°
N14C08C07H171.2°0.6°
C09C10C11H1180.0°179.7°
C10C09C08C070.8°0.6°
C09C10C11C060.9°0.3°
C09C10C11H18179.1°179.7°
C10C09C12H190.3°0.1°
C08C09C10C111.0°0.0°
C09C08C07C061.3°0.9°
C08C09C10H1179.1°179.7°
C09C08C07H17178.7°179.7°
C08C09C12H19178.8°180.0°
C10C11C06H18180.0°180.0°
C10C11C06C073.1°0.0°
C10C11C06C05175.2°180.0°
C08C07C06C113.2°0.6°
C08C07C06H17180.0°179.4°
C08C07C06C05175.6°179.4°
C11C06C07C05172.4°180.0°
C11C06C05N04170.1°145.0°
C11C06C05C290.8°34.7°
C06C11C10H1179.1°180.0°
C11C06C07H17176.8°180.0°
C07C06C05N042.2°35.0°
C07C06C05C29171.6°145.3°
C07C06C11H18176.9°180.0°
C06C05N04C29171.5°179.8°
C06C05N04N03174.6°180.0°
C06C05C29C309.9°0.3°
C06C05C29C02173.9°179.9°
C05C06C07H174.4°0.0°
C05C06C11H184.8°0.0°
N04C05C29C30179.7°180.0°
N04C05C29C023.6°0.4°
C05N04N03C021.4°0.0°
C05N04N03H16178.6°180.0°
C29C05N04N033.1°0.2°
C05C29C30C02175.6°179.5°
C05C29C30N31177.2°20.2°
C05C29C02N032.7°0.4°
C05C29C02N01178.2°179.9°
N04N03C02C291.0°0.3°
N04N03C02H16180.0°180.0°
N04N03C02N01180.0°180.0°
C30C29C02N03179.4°180.0°
C30C29C02N011.6°0.3°
C02C29C30N311.6°159.3°
C29C02N03N01179.0°179.7°
C29C02N01H14180.0°179.7°
C29C02N01H1560.0°0.3°
C29C02N03H16179.0°179.7°
N03C02N01H141.1°0.1°
N03C02N01H15118.9°180.0°
C02N01H14H15120.0°179.9°
N01C02N03H160.0°0.0°
H1C10C11H181.0°0.0°
H2C13C12H191.8°0.1°
H3C15C16H2063.2°65.5°
H4C15C16H20178.9°174.5°
H5C17C16H20178.2°59.1°
H6C17C16H2062.1°60.9°
H7C21C22H81.3°0.1°
H8C22C23H240.7°0.3°
H9C24C23H240.1°0.6°
H9C24C25H250.2°0.6°
H10C26C27H2647.0°59.1°
H10C26C27H2771.8°179.2°
H11C26C27H26165.8°60.9°
H11C26C27H2747.0°59.2°
H12C28C16H2057.2°62.5°
H12C28C27H2649.1°62.5°
H12C28C27H2769.7°57.7°
H13C28C16H20176.7°57.6°
H13C28C27H26168.6°57.6°
H13C28C27H2749.8°177.8°

222624

PDB entries from 2024-07-17

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