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E5B

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C2doub1.22Å1.24Å
C12O11sing1.43Å1.42Å
C12C13sing1.53Å1.51Å
C10O11sing1.43Å1.42Å
C10C9sing1.53Å1.52Å
C2C14sing1.41Å1.49Å
C2N3sing1.34Å1.41Å
C14C6doub1.35Å1.35Å
N8C13sing1.47Å1.48Å
N8C9sing1.47Å1.50Å
N8C7sing1.47Å1.49Å
N3N29sing1.40Å1.34ÅAromatic
N3C4sing1.36Å1.36ÅAromatic
C6C7sing1.51Å1.50Å
C6N5sing1.36Å1.37Å
N29C16doub1.31Å1.33ÅAromatic
C4N5sing1.37Å1.34Å
C4N15doub1.32Å1.30ÅAromatic
C16N15sing1.34Å1.36ÅAromatic
C16N17sing1.39Å1.35Å
N17C18sing1.46Å1.46Å
C20C21doub1.38Å1.38ÅAromatic
C20C19sing1.38Å1.38ÅAromatic
C18C19sing1.51Å1.48Å
C21C22sing1.38Å1.39ÅAromatic
C19C28doub1.38Å1.37ÅAromatic
C24C23sing1.53Å1.52Å
C22C23sing1.51Å1.52Å
C22C27doub1.38Å1.38ÅAromatic
C28C27sing1.38Å1.37ÅAromatic
C23C25sing1.53Å1.51Å
C23C26sing1.53Å1.52Å
C20H1sing1.08Å1.08Å
C28H2sing1.08Å1.08Å
C21H3sing1.08Å1.08Å
C27H4sing1.08Å1.08Å
C14H5sing1.08Å1.08Å
C9H6sing1.09Å1.10Å
C9H7sing1.09Å1.10Å
C13H8sing1.09Å1.10Å
C13H9sing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C10H11sing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C12H13sing1.09Å1.10Å
C24H14sing1.09Å1.10Å
C24H15sing1.09Å1.10Å
C24H16sing1.09Å1.10Å
C25H17sing1.09Å1.10Å
C25H18sing1.09Å1.10Å
C25H19sing1.09Å1.10Å
C26H20sing1.09Å1.10Å
C26H21sing1.09Å1.10Å
C26H22sing1.09Å1.10Å
C18H23sing1.09Å1.10Å
C18H24sing1.09Å1.10Å
C7H25sing1.09Å1.10Å
C7H26sing1.09Å1.10Å
N5H27sing0.97Å1.00Å
N17H28sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C2C14124.3°120.2°
O1C2N3123.6°120.2°
O11C12C13112.3°109.3°
C12O11C10109.1°113.8°
O11C12H12108.8°109.5°
O11C12H13108.8°109.5°
C12C13N8107.7°109.2°
C12C13H8109.9°109.5°
C12C13H9109.9°109.5°
C13C12H12108.7°109.5°
C13C12H13108.8°109.5°
O11C10C9108.3°109.2°
O11C10H10109.8°109.5°
O11C10H11109.8°109.5°
C10C9N8108.1°109.3°
C10C9H6109.8°109.5°
C10C9H7109.8°109.5°
C9C10H10109.8°109.5°
C9C10H11109.8°109.5°
C14C2N3112.1°119.6°
C2C14C6119.4°119.6°
C2C14H5120.3°120.2°
C2N3N29123.4°133.0°
C2N3C4126.4°120.4°
C14C6C7121.5°120.0°
C14C6N5123.1°120.0°
C6C14H5120.3°120.2°
C13N8C9110.7°110.7°
C13N8C7111.4°111.0°
N8C13H8109.9°109.5°
N8C13H9109.9°109.5°
C9N8C7110.5°111.0°
N8C9H6109.8°109.5°
N8C9H7109.8°109.5°
N8C7C6119.1°109.5°
N8C7H25107.0°109.4°
N8C7H26107.0°109.4°
N29N3C4110.2°106.5°
N3N29C16102.7°106.9°
N3C4N5118.6°120.1°
N3C4N15109.5°107.6°
C7C6N5115.3°120.0°
C6C7H25107.0°109.5°
C6C7H26107.0°109.5°
C6N5C4120.4°120.3°
C6N5H27119.8°119.8°
N29C16N15113.3°109.2°
N29C16N17128.4°125.4°
N5C4N15131.9°132.3°
C4N5H27119.8°119.9°
C4N15C16104.3°109.8°
N15C16N17118.3°125.4°
C16N17C18118.7°120.0°
C16N17H28107.1°120.0°
N17C18C19117.7°109.4°
N17C18H23107.4°109.5°
N17C18H24107.3°109.5°
C18N17H28107.1°120.0°
C21C20C19120.3°120.0°
C20C21C22121.5°120.0°
C21C20H1119.9°120.0°
C20C21H3119.3°120.0°
C20C19C18124.1°120.0°
C20C19C28118.0°120.0°
C19C20H1119.8°120.0°
C18C19C28117.8°120.0°
C19C18H23107.4°109.5°
C19C18H24107.4°109.5°
C21C22C23123.1°120.0°
C21C22C27117.4°120.0°
C22C21H3119.2°120.0°
C19C28C27121.8°120.0°
C19C28H2119.1°120.1°
C24C23C22113.1°109.5°
C24C23C25109.8°109.5°
C24C23C26104.9°109.5°
C23C24H14109.5°109.5°
C23C24H15109.5°109.5°
C23C24H16109.5°109.5°
C23C22C27119.5°120.0°
C22C23C25110.4°109.5°
C22C23C26109.6°109.5°
C22C27C28121.0°120.0°
C22C27H4119.5°120.0°
C27C28H2119.1°120.0°
C28C27H4119.5°120.0°
C25C23C26108.8°109.5°
C23C25H17109.5°109.5°
C23C25H18109.5°109.5°
C23C25H19109.5°109.5°
C23C26H20109.5°109.5°
C23C26H21109.5°109.5°
C23C26H22109.4°109.5°
H6C9H7109.5°109.6°
H8C13H9109.5°109.6°
H10C10H11109.5°109.6°
H12C12H13109.5°109.5°
H14C24H15109.4°109.5°
H14C24H16109.5°109.5°
H15C24H16109.4°109.4°
H17C25H18109.4°109.4°
H17C25H19109.5°109.5°
H18C25H19109.5°109.5°
H20C26H21109.5°109.4°
H20C26H22109.5°109.5°
H21C26H22109.5°109.5°
H23C18H24109.5°109.4°
H25C7H26109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C2C14N3179.8°180.0°
O1C2C14C6179.1°179.2°
O1C2N3N290.2°0.0°
O1C2N3C4179.2°179.7°
O1C2C14H50.9°0.3°
O11C12C13H12120.4°120.0°
O11C12C13H13120.4°119.9°
C12O11C10C964.5°58.7°
O11C12C13N857.2°56.9°
O11C12C13H862.5°63.0°
O11C12C13H9176.9°176.8°
C12O11C10H1055.3°178.6°
C12O11C10H11175.7°61.2°
O11C12H12H13118.7°120.1°
C13C12O11C1063.1°58.7°
C12C13N8H8119.7°119.9°
C12C13N8H9119.7°119.9°
C12C13N8C954.9°58.6°
C12C13N8C7178.2°177.6°
C12C13H8H9120.8°120.1°
C13C12H12H13118.7°120.1°
O11C10C9H10119.8°119.9°
O11C10C9H11119.8°119.9°
O11C10C9N862.4°56.9°
O11C10C9H6177.8°176.8°
O11C10C9H757.3°63.1°
O11C10H10H11120.6°120.2°
C10O11C12H12176.5°61.2°
C10O11C12H1357.3°178.6°
C10C9N8C1358.7°58.7°
C10C9N8H6119.8°119.9°
C10C9N8H7119.8°120.0°
C10C9N8C7177.4°177.6°
C10C9H6H7120.6°120.1°
C9C10H10H11120.6°120.1°
C2C14C6H5180.0°178.9°
C14C2N3N29179.6°180.0°
C14C2N3C40.6°0.3°
C2C14C6C7179.8°178.9°
C2C14C6N50.5°1.0°
N3C2C14C60.7°0.8°
C2N3N29C4179.1°179.7°
C2N3N29C16180.0°180.0°
C2N3C4N50.2°0.2°
C2N3C4N15179.9°179.9°
N3C2C14H5179.3°179.7°
C14C6C7N853.7°115.0°
C14C6C7N5179.4°179.9°
C14C6N5C40.1°0.9°
C14C6C7H2567.7°125.0°
C14C6C7H26175.1°5.0°
C14C6N5H27179.9°179.1°
C13N8C9C7123.9°123.8°
C13N8C7C651.4°170.0°
C13N8C9H6178.5°178.5°
C13N8C9H761.1°61.3°
N8C13H8H9120.8°120.2°
N8C13C12H12177.6°63.1°
N8C13C12H1363.3°176.8°
C13N8C7H25172.8°50.0°
C13N8C7H2669.9°70.0°
C9N8C7C6174.9°66.4°
N8C9H6H7120.6°120.1°
C9N8C13H864.9°61.3°
C9N8C13H9174.6°178.5°
N8C9C10H1057.3°176.7°
N8C9C10H11177.7°63.1°
C9N8C7H2563.8°173.6°
C9N8C7H2653.5°53.6°
N8C7C6H25121.4°120.0°
N8C7C6H26121.4°120.0°
N8C7C6N5126.9°64.9°
C7N8C9H657.6°57.7°
C7N8C9H762.8°62.4°
C7N8C13H858.5°62.5°
C7N8C13H962.0°57.7°
N8C7H25H26115.7°119.9°
N29N3C4N5179.3°179.9°
N29N3C4N150.8°0.4°
N3N29C16N150.7°0.1°
N3N29C16N17178.9°179.7°
N3C4N5C60.1°0.4°
C4N3N29C160.9°0.3°
N3C4N5N15179.8°179.6°
N3C4N15C160.4°0.4°
N3C4N5H27180.0°179.5°
C7C6N5C4179.5°179.1°
C7C6C14H50.2°0.0°
C6C7H25H26115.6°120.1°
C7C6N5H270.5°1.0°
C6N5C4H27180.0°179.9°
C6N5C4N15179.7°180.0°
N5C6C14H5179.5°179.9°
N5C6C7H25111.7°55.0°
N5C6C7H265.6°175.1°
N29C16N15C40.2°0.2°
N29C16N15N17178.5°179.8°
N29C16N17C18177.6°0.3°
N29C16N17H2861.1°179.8°
N5C4N15C16179.8°180.0°
C4N15C16N17178.7°180.0°
N15C4N5H270.2°0.1°
N15C16N17C184.2°179.9°
N15C16N17H28117.1°0.0°
C16N17C18H28121.3°179.9°
C16N17C18C1989.0°180.0°
C16N17C18H23149.8°60.0°
C16N17C18H2432.2°60.0°
N17C18C19C2010.3°90.1°
N17C18C19H23121.2°120.0°
N17C18C19H24121.2°120.0°
N17C18C19C28169.8°90.1°
N17C18H23H24116.2°120.0°
C21C20C19H1180.0°179.7°
C21C20C19C18179.8°179.9°
C20C21C22H3180.0°179.9°
C21C20C19C280.3°0.0°
C20C21C22C23179.2°180.0°
C20C21C22C270.1°0.2°
C20C19C18C28179.9°179.9°
C19C20C21C220.4°0.1°
C20C19C28C270.1°0.0°
C20C19C28H2179.9°180.0°
C19C20C21H3179.6°179.9°
C20C19C18H23131.5°150.0°
C20C19C18H24110.9°30.0°
C18C19C28C27179.8°179.9°
C18C19C20H10.2°0.2°
C18C19C28H20.2°0.1°
C19C18H23H24116.3°120.0°
C19C18N17H2832.3°0.1°
C21C22C23C2420.2°59.9°
C21C22C23C27179.1°179.9°
C21C22C27C280.4°0.1°
C21C22C23C25103.3°179.9°
C21C22C23C26136.9°60.1°
C22C21C20H1179.6°179.8°
C21C22C27H4179.6°180.0°
C19C28C27C220.5°0.0°
C19C28C27H2180.0°180.0°
C28C19C20H1179.7°179.7°
C19C28C27H4179.5°179.9°
C28C19C18H2348.6°29.9°
C28C19C18H2469.0°149.9°
C24C23C22C25123.5°120.0°
C24C23C22C26116.7°120.0°
C24C23C22C27158.9°119.9°
C24C23C25C26114.4°120.0°
C23C24H14H15120.0°120.1°
C23C24H14H16120.0°120.0°
C23C24H15H16120.0°120.0°
C24C23C25H17180.0°180.0°
C24C23C25H1860.0°60.0°
C24C23C25H1960.0°60.0°
C24C23C26H20180.0°60.0°
C24C23C26H2160.0°59.9°
C24C23C26H2260.0°180.0°
C23C22C27C28178.8°180.0°
C22C23C25C26120.3°120.0°
C23C22C21H30.9°0.1°
C23C22C27H41.2°0.1°
C22C23C24H14180.0°60.0°
C22C23C24H1560.0°180.0°
C22C23C24H1660.0°60.0°
C22C23C25H1754.6°60.0°
C22C23C25H1865.4°180.0°
C22C23C25H19174.7°60.0°
C22C23C26H2058.3°60.0°
C22C23C26H21178.3°180.0°
C22C23C26H2261.8°60.0°
C22C27C28H4180.0°179.9°
C27C22C23C2577.6°0.1°
C27C22C23C2642.2°120.0°
C22C27C28H2179.5°180.0°
C27C22C21H3180.0°180.0°
C25C23C24H1456.2°60.0°
C25C23C24H1563.8°60.0°
C25C23C24H16176.2°180.0°
C23C25H17H18120.0°120.0°
C23C25H17H19120.0°120.0°
C23C25H18H19120.0°120.1°
C25C23C26H2062.5°179.9°
C25C23C26H2157.5°60.0°
C25C23C26H22177.5°60.0°
C26C23C24H1460.6°180.0°
C26C23C24H15179.4°60.0°
C26C23C24H1659.4°60.0°
C26C23C25H1765.6°60.0°
C26C23C25H18174.4°60.0°
C26C23C25H1954.4°180.0°
C23C26H20H21120.0°120.0°
C23C26H20H22120.0°120.0°
C23C26H21H22120.0°120.1°
H1C20C21H30.3°0.4°
H2C28C27H40.5°0.1°
H6C9C10H1062.4°63.4°
H6C9C10H1157.9°56.8°
H7C9C10H10177.1°56.8°
H7C9C10H1162.5°177.0°
H8C13C12H1257.9°177.0°
H8C13C12H13177.0°56.9°
H9C13C12H1262.7°56.8°
H9C13C12H1356.5°63.3°
H14C24H15H16120.0°119.9°
H17C25H18H19120.0°120.0°
H20C26H21H22120.0°120.0°
H23C18N17H2888.9°120.1°
H24C18N17H28153.5°120.0°

225946

PDB entries from 2024-10-09

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