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X5I

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C16C17sing1.54Å1.54Å
C16C15sing1.50Å1.55Å
C17C18sing1.54Å1.54Å
C15C14sing1.55Å1.54Å
C18N19sing1.44Å1.47Å
C14C13sing1.46Å1.54Å
N19C13sing1.48Å1.47Å
C13C12sing1.53Å1.55Å
O01C02doub1.21Å1.22Å
C12N11sing1.47Å1.48Å
C02N11sing1.35Å1.37Å
C02C03sing1.51Å1.52Å
N11C10sing1.40Å1.40Å
C26C25sing1.40Å1.43ÅAromatic
C26C27doub1.35Å1.34ÅAromatic
C25C24doub1.36Å1.35ÅAromatic
C27N28sing1.36Å1.38ÅAromatic
C03O04sing1.43Å1.44Å
C10N09doub1.32Å1.31ÅAromatic
C10C05sing1.40Å1.39ÅAromatic
N09C08sing1.33Å1.34ÅAromatic
C24C23sing1.41Å1.41ÅAromatic
O04C05sing1.36Å1.38Å
N28C23sing1.37Å1.39ÅAromatic
N28C20sing1.38Å1.40ÅAromatic
C05C06doub1.39Å1.37ÅAromatic
C23N22doub1.33Å1.32ÅAromatic
C08C20sing1.48Å1.46Å
C08C07doub1.40Å1.38ÅAromatic
C20C21doub1.37Å1.37ÅAromatic
C06C07sing1.39Å1.39ÅAromatic
N22C21sing1.33Å1.36ÅAromatic
C12H1sing1.09Å1.10Å
C12H2sing1.09Å1.10Å
C13H3sing1.09Å1.10Å
C14H4sing1.09Å1.10Å
C14H5sing1.09Å1.10Å
C15H6sing1.09Å1.10Å
C15H7sing1.09Å1.10Å
C16H8sing1.09Å1.10Å
C16H9sing1.09Å1.10Å
N19H10sing1.01Å1.00Å
C03H12sing1.09Å1.10Å
C03H13sing1.09Å1.10Å
C06H14sing1.08Å1.08Å
C07H15sing1.08Å1.08Å
C17H16sing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C18H18sing1.09Å1.10Å
C18H19sing1.09Å1.10Å
C21H20sing1.08Å1.08Å
C24H21sing1.08Å1.08Å
C25H22sing1.08Å1.08Å
C26H23sing1.08Å1.08Å
C27H24sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C17C16C15115.2°113.0°
C16C17C18113.7°112.2°
C17C16H8108.0°108.8°
C17C16H9108.0°108.8°
C16C17H16108.4°108.9°
C16C17H17108.4°108.9°
C16C15C14111.9°108.8°
C16C15H6108.9°109.6°
C16C15H7108.9°109.7°
C15C16H8108.0°108.7°
C15C16H9108.0°108.8°
C17C18N19112.9°112.1°
C18C17H16108.4°109.1°
C18C17H17108.4°108.8°
C17C18H18108.6°109.0°
C17C18H19108.6°108.9°
C15C14C13117.3°111.6°
C15C14H4107.5°109.1°
C15C14H5107.5°109.1°
C14C15H6108.9°109.6°
C14C15H7108.8°109.5°
C18N19C13118.6°109.5°
C18N19H10107.2°111.0°
N19C18H18108.6°109.0°
N19C18H19108.6°108.9°
C14C13N19113.4°112.8°
C14C13C12111.2°108.8°
C14C13H3106.7°108.8°
C13C14H4107.5°109.0°
C13C14H5107.5°109.0°
N19C13C12111.1°108.8°
N19C13H3107.5°108.8°
C13N19H10107.2°111.0°
C13C12N11113.1°109.4°
C13C12H1108.6°109.4°
C13C12H2108.6°109.5°
C12C13H3106.6°108.7°
O01C02N11122.8°120.0°
O01C02C03120.1°120.1°
C12N11C02117.5°120.5°
C12N11C10120.3°120.4°
N11C12H1108.5°109.5°
N11C12H2108.6°109.5°
N11C02C03117.1°119.8°
C02N11C10121.6°119.1°
C02C03O04113.6°109.4°
C02C03H12108.4°109.4°
C02C03H13108.5°109.4°
N11C10N09119.2°120.4°
N11C10C05119.1°119.0°
C25C26C27120.6°120.2°
C26C25C24120.6°119.7°
C26C25H22119.7°120.1°
C25C26H23119.7°119.9°
C26C27N28119.3°120.6°
C27C26H23119.7°119.9°
C26C27H24120.3°119.7°
C25C24C23118.9°119.4°
C25C24H21120.6°120.3°
C24C25H22119.7°120.2°
C27N28C23121.3°120.5°
C27N28C20132.2°132.6°
N28C27H24120.3°119.7°
C03O04C05116.3°116.6°
O04C03H12108.4°109.6°
O04C03H13108.4°109.4°
N09C10C05121.7°120.6°
C10N09C08121.0°121.4°
C10C05O04120.6°119.7°
C10C05C06118.5°119.6°
N09C08C20117.3°119.6°
N09C08C07120.1°120.8°
C24C23N28119.1°119.6°
C24C23N22130.1°132.2°
C23C24H21120.5°120.3°
O04C05C06120.9°120.7°
C23N28C20106.4°106.9°
N28C23N22110.7°108.3°
N28C20C08128.0°126.6°
N28C20C21105.0°106.8°
C05C06C07119.4°118.4°
C05C06H14120.3°120.8°
C23N22C21106.1°109.5°
C20C08C07122.4°119.6°
C08C20C21126.8°126.6°
C08C07C06119.2°119.2°
C08C07H15120.4°120.4°
C20C21N22111.7°108.5°
C20C21H20124.2°125.7°
C07C06H14120.3°120.8°
C06C07H15120.4°120.4°
N22C21H20124.1°125.8°
H1C12H2109.4°109.5°
H4C14H5109.5°109.1°
H6C15H7109.5°109.6°
H8C16H9109.4°108.6°
H12C03H13109.4°109.4°
H16C17H17109.5°108.8°
H18C18H19109.5°108.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C17C16C15H8120.9°120.9°
C17C16C15H9120.8°121.0°
C16C17C18H16120.6°120.8°
C16C17C18H17120.6°120.6°
C17C16C15C1476.0°92.2°
C16C17C18N1966.6°41.0°
C17C16C15H6163.6°27.6°
C17C16C15H744.3°148.0°
C17C16H8H9117.4°118.3°
C16C17H16H17118.0°118.6°
C16C17C18H18172.9°161.8°
C16C17C18H1953.9°79.7°
C15C16C17C1855.7°41.9°
C16C15C14H6120.4°119.8°
C16C15C14H7120.4°119.9°
C16C15C14C1382.2°77.2°
C16C15C14H438.9°162.3°
C16C15C14H5156.7°43.3°
C16C15H6H7118.9°120.5°
C15C16H8H9117.4°118.3°
C15C16C17H1664.9°79.0°
C15C16C17H17176.4°162.4°
C17C18N19H18120.5°120.7°
C17C18N19H19120.5°120.6°
C17C18N19C1392.4°96.5°
C18C17C16H865.1°162.7°
C18C17C16H9176.6°79.1°
C17C18N19H1028.9°140.7°
C18C17H16H17118.1°118.6°
C17C18H18H19118.4°118.7°
C15C14C13H4121.1°120.6°
C15C14C13H5121.1°120.5°
C15C14C13N1926.9°61.4°
C15C14C13C12152.9°177.8°
C15C14C13H391.3°59.5°
C15C14H4H5116.5°119.0°
C14C15H6H7118.9°120.2°
C14C15C16H844.8°146.9°
C14C15C16H9163.1°28.7°
C18N19C13C1453.3°83.3°
C18N19C13H10121.3°122.9°
C18N19C13C1272.7°155.9°
C18N19C13H3171.0°37.6°
N19C18C17H1654.0°161.8°
N19C18C17H17172.8°79.6°
N19C18H18H19118.4°118.7°
C14C13N19C12126.0°120.9°
C14C13N19H3117.7°120.8°
C14C13C12H3115.9°118.3°
C14C13C12N11169.0°176.6°
C14C13C12H170.5°56.7°
C14C13C12H248.4°63.4°
C13C14H4H5116.4°118.9°
C13C14C15H6157.4°42.6°
C13C14C15H738.2°162.9°
C14C13N19H1068.0°153.8°
N19C13C12H3116.8°118.4°
N19C13C12N1163.8°53.3°
N19C13C12H156.7°66.6°
N19C13C12H2175.6°173.4°
N19C13C14H494.3°178.1°
N19C13C14H5148.0°59.1°
C13N19C18H18147.1°142.8°
C13N19C18H1928.1°24.2°
C13C12N11H1120.6°119.9°
C13C12N11H2120.6°120.0°
C13C12N11C02111.7°90.0°
C13C12N11C1077.4°90.1°
C13C12H1H2118.3°120.0°
C12C13C14H431.7°57.2°
C12C13C14H586.0°61.7°
C12C13N19H10165.9°33.0°
O01C02N11C127.2°1.5°
O01C02N11C03179.1°179.9°
O01C02N11C10178.0°178.4°
O01C02C03O04155.0°148.7°
O01C02C03H1234.4°91.2°
O01C02C03H1384.3°28.7°
C12N11C02C10170.8°179.9°
C12N11C02C03173.8°178.4°
C12N11C10N095.9°15.5°
C12N11C10C05174.0°164.2°
N11C12H1H2118.3°120.0°
N11C12C13H353.0°65.0°
N11C02C03O0424.1°31.4°
C02N11C10N09164.6°164.6°
C02N11C10C0515.5°15.7°
C02N11C12H18.8°29.9°
C02N11C12H2127.7°149.9°
N11C02C03H12144.7°88.8°
N11C02C03H1396.6°151.3°
C03C02N11C103.0°1.7°
C02C03O04H12120.6°120.1°
C02C03O04H13120.6°119.9°
C02C03O04C0539.7°46.3°
C02C03H12H13118.2°119.9°
N11C10N09C05179.9°179.8°
N11C10N09C08178.9°179.7°
N11C10C05O041.0°0.4°
N11C10C05C06179.9°179.7°
C10N11C12H1162.1°150.0°
C10N11C12H243.2°29.9°
C25C26C27H23180.0°179.7°
C26C25C24H22180.0°180.0°
C25C26C27N280.3°0.4°
C26C25C24C230.4°0.0°
C26C25C24H21179.6°180.0°
C25C26C27H24179.7°180.0°
C27C26C25C240.2°0.3°
C26C27N28H24180.0°179.6°
C26C27N28C230.6°0.1°
C26C27N28C20179.7°179.3°
C27C26C25H22179.8°179.7°
C25C24C23H21180.0°180.0°
C25C24C23N280.7°0.3°
C25C24C23N22179.2°180.0°
C24C25C26H23179.8°180.0°
C27N28C23C240.8°0.2°
C27N28C23C20179.2°179.6°
C27N28C23N22179.1°180.0°
C27N28C20C083.1°0.4°
C27N28C20C21178.5°179.9°
N28C27C26H23179.7°179.9°
C03O04C05C1029.2°32.6°
C03O04C05C06151.8°147.3°
O04C03H12H13118.1°120.0°
N09C10C05O04178.9°179.9°
N09C10C05C060.1°0.1°
C10N09C08C20177.5°180.0°
C10N09C08C072.1°0.1°
C05C10N09C081.2°0.1°
C10C05O04C06178.9°180.0°
C10C05C06C070.3°0.1°
C10C05C06H14179.7°180.0°
N09C08C20N280.4°171.9°
N09C08C20C07175.3°180.0°
N09C08C20C21174.9°7.8°
N09C08C07C061.7°0.0°
N09C08C07H15178.3°180.0°
C24C23N28N22180.0°179.8°
C24C23N28C20179.9°179.8°
C24C23N22C21179.5°180.0°
C23C24C25H22179.6°180.0°
O04C05C06C07179.2°179.9°
C05O04C03H12160.3°73.8°
C05O04C03H1381.0°166.2°
O04C05C06H140.8°0.1°
C23N28C20C08176.1°179.9°
C23N28C20C210.6°0.4°
N28C23N22C210.4°0.3°
N28C23C24H21179.3°179.7°
C23N28C27H24179.3°179.7°
C20N28C23N220.1°0.4°
N28C20C08C21174.5°179.7°
N28C20C08C07174.9°8.1°
N28C20C21N220.9°0.3°
N28C20C21H20179.1°179.7°
C20N28C27H240.3°0.3°
C05C06C07C080.6°0.0°
C05C06C07H14180.0°180.0°
C05C06C07H15179.4°179.9°
C23N22C21C200.8°0.0°
C23N22C21H20179.2°180.0°
N22C23C24H210.7°0.0°
C20C08C07C06176.9°180.0°
C08C20C21N22176.4°180.0°
C20C08C07H153.1°0.0°
C08C20C21H203.6°0.0°
C07C08C20C210.4°172.2°
C08C07C06H15180.0°180.0°
C08C07C06H14179.5°180.0°
C20C21N22H20180.0°180.0°
H1C12C13H3173.6°175.0°
H2C12C13H367.6°55.0°
H3C13C14H4147.6°61.1°
H3C13C14H529.9°180.0°
H3C13N19H1049.7°85.3°
H4C14C15H681.5°77.9°
H4C14C15H7159.3°42.4°
H5C14C15H636.3°163.1°
H5C14C15H783.0°76.7°
H6C15C16H875.5°93.3°
H6C15C16H942.7°148.5°
H7C15C16H8165.2°27.1°
H7C15C16H976.5°91.0°
H8C16C17H16174.3°41.9°
H8C16C17H1755.5°76.7°
H9C16C17H1656.0°160.0°
H9C16C17H1762.8°41.5°
H10N19C18H1891.6°19.9°
H10N19C18H19149.4°98.7°
H14C06C07H150.5°0.0°
H16C17C18H1866.5°77.4°
H16C17C18H19174.5°41.2°
H17C17C18H1852.3°41.2°
H17C17C18H1966.7°159.7°
H21C24C25H220.4°0.0°
H22C25C26H230.2°0.0°
H23C26C27H240.3°0.3°

255900

PDB entries from 2026-07-01

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