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EO4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1sing1.51Å1.48Å
O1C1sing1.34Å1.35ÅAromatic
O1N6sing1.21Å1.42ÅAromatic
C1C2doub1.37Å1.36ÅAromatic
N6C22doub1.30Å1.30ÅAromatic
C2C22sing1.42Å1.46ÅAromatic
C2C3sing1.48Å1.48Å
C22C23sing1.51Å1.49Å
C16C17sing1.53Å1.47Å
C16C15sing1.53Å1.50Å
C3C21doub1.39Å1.40ÅAromatic
C3C4sing1.40Å1.41ÅAromatic
C17C15sing1.53Å1.50Å
C21C8sing1.39Å1.38ÅAromatic
C15C14sing1.51Å1.49Å
OC4sing1.36Å1.37Å
OC5sing1.43Å1.43Å
C4C6doub1.38Å1.39ÅAromatic
C8Nsing1.39Å1.38ÅAromatic
C8C7doub1.40Å1.41ÅAromatic
C14C13sing1.40Å1.43ÅAromatic
C14N2doub1.31Å1.33ÅAromatic
C6C7sing1.40Å1.39ÅAromatic
NC9sing1.37Å1.35ÅAromatic
C7C10sing1.47Å1.44ÅAromatic
C13C12doub1.36Å1.36ÅAromatic
N2N3sing1.40Å1.36ÅAromatic
C9C10doub1.40Å1.43ÅAromatic
C9N5sing1.33Å1.34ÅAromatic
C10C11sing1.40Å1.40ÅAromatic
C12N3sing1.36Å1.41ÅAromatic
C12N1sing1.39Å1.37Å
N5C19doub1.32Å1.34ÅAromatic
N3C18sing1.46Å1.46Å
C11N1sing1.38Å1.39Å
C11N4doub1.33Å1.34ÅAromatic
C19N4sing1.32Å1.34ÅAromatic
C19C20sing1.51Å1.49Å
C5H1sing1.09Å1.10Å
C5H2sing1.09Å1.10Å
C5H3sing1.09Å1.10Å
N1H4sing0.97Å1.00Å
C6H5sing1.08Å1.08Å
C23H6sing1.09Å1.10Å
C23H7sing1.09Å1.10Å
C23H8sing1.09Å1.10Å
CH9sing1.09Å1.10Å
CH10sing1.09Å1.10Å
CH11sing1.09Å1.10Å
C21H12sing1.08Å1.08Å
NH13sing0.97Å1.00Å
C20H14sing1.09Å1.10Å
C20H15sing1.09Å1.10Å
C20H16sing1.09Å1.10Å
C18H17sing1.09Å1.10Å
C18H18sing1.09Å1.10Å
C18H19sing1.09Å1.10Å
C13H20sing1.08Å1.08Å
C15H21sing1.09Å1.10Å
C17H22sing1.09Å1.10Å
C17H23sing1.09Å1.10Å
C16H24sing1.09Å1.10Å
C16H25sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CC1O1116.1°126.9°
CC1C2133.9°126.9°
C1CH9109.5°109.5°
C1CH10109.4°109.5°
C1CH11109.5°109.5°
C1O1N6109.0°111.8°
O1C1C2110.0°106.3°
O1N6C22106.2°112.0°
C1C2C22103.8°103.7°
C1C2C3128.6°128.2°
N6C22C2111.1°106.3°
N6C22C23119.7°126.9°
C22C2C3127.6°128.1°
C2C22C23129.1°126.9°
C2C3C21119.7°119.8°
C2C3C4121.7°119.9°
C22C23H6109.5°109.5°
C22C23H7109.4°109.4°
C22C23H8109.4°109.4°
C17C16C1560.7°60.0°
C16C17C1560.6°60.0°
C16C17H22119.9°117.5°
C16C17H23119.9°117.5°
C17C16H24119.9°117.5°
C17C16H25119.9°117.5°
C16C15C1758.7°60.0°
C16C15C14120.1°117.5°
C16C15H21115.0°117.5°
C15C16H24119.9°117.5°
C15C16H25119.9°117.5°
C21C3C4118.5°120.3°
C3C21C8120.2°120.0°
C3C21H12119.9°120.1°
C3C4O115.5°120.0°
C3C4C6120.8°120.0°
C17C15C14121.2°117.5°
C17C15H21114.9°117.5°
C15C17H22119.9°117.5°
C15C17H23119.9°117.5°
C21C8N129.1°132.2°
C21C8C7121.4°119.5°
C8C21H12119.9°119.9°
C15C14C13123.1°125.8°
C15C14N2127.3°125.8°
C14C15H21115.2°115.6°
C4OC5118.4°117.0°
OC4C6123.8°120.0°
OC5H1109.5°109.5°
OC5H2109.4°109.5°
OC5H3109.4°109.5°
C4C6C7120.2°119.9°
C4C6H5119.9°120.0°
NC8C7109.4°108.3°
C8NC9109.3°110.4°
C8NH13125.3°124.8°
C8C7C6118.8°120.2°
C8C7C10106.2°106.3°
C13C14N2109.6°108.4°
C14C13C12107.4°107.8°
C14C13H20126.3°126.1°
C14N2N3106.8°108.4°
C6C7C10134.9°133.5°
C7C6H5119.9°120.1°
NC9C10108.9°108.4°
NC9N5126.9°133.1°
C9NH13125.4°124.8°
C7C10C9106.2°106.7°
C7C10C11138.2°134.6°
C13C12N3105.2°107.5°
C13C12N1135.2°126.2°
C12C13H20126.3°126.1°
N2N3C12111.1°107.8°
N2N3C18119.4°126.1°
C10C9N5124.0°118.5°
C9C10C11115.3°118.7°
C9N5C19115.2°120.8°
C10C11N1122.7°120.8°
C10C11N4119.8°118.4°
N3C12N1119.2°126.2°
C12N3C18129.4°126.2°
C12N1C11130.8°120.0°
C12N1H4114.6°120.0°
N5C19N4125.4°122.6°
N5C19C20117.4°118.7°
N3C18H17109.5°109.5°
N3C18H18109.5°109.4°
N3C18H19109.5°109.5°
N1C11N4116.9°120.8°
C11N1H4114.6°120.0°
C11N4C19120.2°120.9°
N4C19C20117.2°118.6°
C19C20H14109.5°109.5°
C19C20H15109.5°109.5°
C19C20H16109.5°109.4°
H1C5H2109.5°109.4°
H1C5H3109.4°109.5°
H2C5H3109.5°109.4°
H6C23H7109.5°109.5°
H6C23H8109.5°109.5°
H7C23H8109.5°109.5°
H9CH10109.5°109.4°
H9CH11109.5°109.4°
H10CH11109.5°109.4°
H14C20H15109.5°109.5°
H14C20H16109.5°109.4°
H15C20H16109.5°109.5°
H17C18H18109.5°109.4°
H17C18H19109.4°109.5°
H18C18H19109.5°109.5°
H22C17H23109.5°115.6°
H24C16H25109.5°115.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CC1O1C2179.2°180.0°
CC1O1N6179.2°180.0°
CC1C2C22179.4°180.0°
CC1C2C30.1°0.3°
C1CH9H10120.0°120.1°
C1CH9H11120.0°120.0°
C1CH10H11120.0°120.1°
C1O1N6C220.4°0.0°
O1C1C2C220.3°0.0°
O1C1C2C3179.0°179.8°
O1C1CH90.0°90.1°
O1C1CH10120.0°29.9°
O1C1CH11120.0°150.0°
N6O1C1C20.0°0.0°
O1N6C22C20.7°0.0°
O1N6C22C23177.8°179.8°
C1C2C22N60.6°0.0°
C1C2C22C3179.3°179.7°
C1C2C22C23177.6°179.8°
C1C2C3C2157.9°89.7°
C1C2C3C4124.1°90.6°
C2C1CH9179.0°90.0°
C2C1CH1059.0°150.0°
C2C1CH1161.0°30.0°
N6C22C2C23178.3°179.8°
N6C22C2C3178.7°179.8°
N6C22C23H60.0°90.3°
N6C22C23H7120.0°29.7°
N6C22C23H8120.0°149.7°
C22C2C3C21123.0°90.0°
C22C2C3C455.0°89.8°
C2C22C23H6178.1°90.0°
C2C22C23H758.1°150.0°
C2C22C23H861.9°30.1°
C3C2C22C233.1°0.0°
C2C3C21C4178.1°179.8°
C2C3C21C8177.9°179.7°
C2C3C4O2.9°0.0°
C2C3C4C6176.6°180.0°
C2C3C21H122.1°0.1°
C22C23H6H7120.0°120.0°
C22C23H6H8120.0°120.0°
C22C23H7H8120.0°119.9°
C17C16C15H24109.6°107.5°
C17C16C15H25109.7°107.5°
C16C17C15H22109.6°107.5°
C16C17C15H23109.6°107.5°
C17C16C15C14110.4°107.5°
C17C16C15H21105.1°107.5°
C16C17H22H23144.4°145.8°
C17C16H24H25144.4°145.6°
C16C15C14H21144.4°145.6°
C16C15C14C13143.1°16.2°
C16C15C14N236.8°163.7°
C15C16H24H25144.3°145.8°
C3C21C8H12180.0°179.7°
C21C3C4O179.0°179.8°
C21C3C4C61.5°0.2°
C3C21C8N177.6°179.8°
C3C21C8C71.5°0.6°
C4C3C21C80.2°0.5°
C3C4OC6179.4°180.0°
C3C4OC5171.7°180.0°
C3C4C6C71.2°0.0°
C3C4C6H5178.8°180.0°
C4C3C21H12179.8°179.8°
C17C15C14H21146.2°145.7°
C17C15C14C13147.4°84.9°
C17C15C14N232.7°95.1°
C15C17H22H23144.4°145.6°
C21C8NC7176.5°179.6°
C21C8C7C61.8°0.3°
C21C8NC9174.5°179.7°
C21C8C7C10175.2°179.7°
C21C8NH135.6°0.3°
C15C14C13N2179.9°180.0°
C15C14C13C12179.1°180.0°
C15C14N2N3179.9°180.0°
C15C14C13H200.9°0.0°
C14C15C17H22141.8°0.0°
C14C15C17H231.1°145.0°
C14C15C16H240.8°145.0°
C14C15C16H25139.9°0.0°
OC4C6C7179.4°180.0°
C4OC5H1180.0°60.0°
C4OC5H260.0°60.0°
C4OC5H360.0°180.0°
OC4C6H50.6°0.0°
C5OC4C67.7°0.0°
OC5H1H2120.0°120.0°
OC5H1H3120.0°120.1°
OC5H2H3120.0°120.0°
C4C6C7C80.4°0.0°
C4C6C7H5180.0°180.0°
C4C6C7C10175.5°180.0°
NC8C7C6178.7°180.0°
C8NC9H13180.0°180.0°
NC8C7C101.6°0.1°
C8NC9C101.7°0.0°
C8NC9N5173.4°180.0°
NC8C21H122.3°0.2°
C8C7C6C10176.0°179.9°
C7C8NC92.1°0.1°
C8C7C10C90.6°0.0°
C8C7C10C11172.6°180.0°
C8C7C6H5179.6°180.0°
C7C8C21H12178.5°179.8°
C7C8NH13177.9°180.0°
C14C13C12H20180.0°180.0°
C13C14N2N30.0°0.0°
C14C13C12N31.5°0.0°
C14C13C12N1173.4°180.0°
C13C14C15H211.3°129.4°
N2C14C13C121.0°0.0°
C14N2N3C121.0°0.0°
C14N2N3C18175.8°180.0°
N2C14C13H20179.0°180.0°
N2C14C15H21178.9°50.7°
C6C7C10C9176.9°180.0°
C6C7C10C113.7°0.1°
NC9C10C70.7°0.0°
NC9C10N5175.3°180.0°
NC9C10C11175.6°180.0°
NC9N5C19173.5°180.0°
C7C10C9C11175.0°180.0°
C7C10C9N5174.6°180.0°
C7C10C11N117.3°0.0°
C7C10C11N4171.5°180.0°
C10C7C6H54.5°0.0°
C13C12N3N21.6°0.0°
C13C12N3N1173.5°180.0°
C13C12N3C18174.7°180.0°
C13C12N1C1133.5°0.1°
C13C12N1H4146.4°180.0°
N2N3C12C18176.3°180.0°
N2N3C12N1175.1°180.0°
N2N3C18H170.0°90.1°
N2N3C18H18120.0°150.0°
N2N3C18H19120.0°30.0°
C10C9N5C190.9°0.0°
C9C10C11N1169.9°180.0°
C9C10C11N41.2°0.1°
C10C9NH13178.3°180.0°
N5C9C10C110.3°0.0°
C9N5C19N41.4°0.0°
C9N5C19C20177.3°180.0°
N5C9NH136.6°0.0°
C10C11N1C1231.7°180.0°
C10C11N1N4171.4°179.9°
C10C11N4C190.8°0.1°
C10C11N1H4148.4°0.1°
N3C12N1C11137.5°180.0°
N3C12N1H442.5°0.1°
C12N3C18H17176.1°90.0°
C12N3C18H1856.1°29.9°
C12N3C18H1964.0°150.0°
N3C12C13H20178.4°180.0°
N1C12N3C181.2°0.1°
C12N1C11H4180.0°179.9°
C12N1C11N4139.7°0.0°
N1C12C13H206.5°0.1°
N5C19N4C110.6°0.1°
N5C19N4C20178.8°180.0°
N5C19C20H140.0°90.0°
N5C19C20H15120.0°150.0°
N5C19C20H16120.0°30.0°
N3C18H17H18120.0°119.9°
N3C18H17H19120.0°120.0°
N3C18H18H19120.0°120.1°
N1C11N4C19170.8°180.0°
C11N4C19C20178.2°180.0°
N4C11N1H440.2°180.0°
N4C19C20H14178.9°90.0°
N4C19C20H1561.1°30.0°
N4C19C20H1658.9°150.1°
C19C20H14H15120.0°120.0°
C19C20H14H16120.0°119.9°
C19C20H15H16120.0°120.0°
H1C5H2H3120.0°120.0°
H6C23H7H8120.0°120.0°
H9CH10H11120.0°119.9°
H14C20H15H16120.0°120.0°
H17C18H18H19120.0°120.0°
H21C15C17H224.4°145.0°
H21C15C17H23145.2°0.1°
H21C15C16H24145.2°0.1°
H21C15C16H254.5°145.0°
H22C17C16H24140.7°145.0°
H22C17C16H250.0°0.1°
H23C17C16H240.0°0.1°
H23C17C16H25140.7°145.0°

225946

PDB entries from 2024-10-09

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