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5Q4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C33O32sing1.43Å1.44Å
O32C31sing1.36Å1.37Å
C30C31doub1.38Å1.40ÅAromatic
C30C29sing1.38Å1.39ÅAromatic
C31C26sing1.39Å1.41ÅAromatic
C19C20doub1.35Å1.35Å
C19C18sing1.41Å1.42Å
C20N21sing1.36Å1.36Å
C29C28doub1.38Å1.39ÅAromatic
C26N25sing1.40Å1.41Å
C26C27doub1.39Å1.40ÅAromatic
N25C18sing1.38Å1.38Å
C18C17doub1.41Å1.44Å
N21C23sing1.35Å1.36Å
C28C27sing1.38Å1.39ÅAromatic
C23C17sing1.41Å1.44Å
C23O24doub1.22Å1.22Å
C17C15sing1.47Å1.49Å
O16C15doub1.22Å1.22Å
C15N14sing1.35Å1.36Å
N14C11sing1.40Å1.42Å
C11C12doub1.39Å1.40ÅAromatic
C11C10sing1.39Å1.40ÅAromatic
C12C13sing1.38Å1.39ÅAromatic
C10C9doub1.38Å1.39ÅAromatic
C13C8doub1.39Å1.41ÅAromatic
C9C8sing1.39Å1.40ÅAromatic
C8N5sing1.40Å1.42Å
N5C6sing1.47Å1.49Å
N5C4sing1.47Å1.49Å
C6C7sing1.53Å1.54Å
C4C3sing1.53Å1.53Å
C7N2sing1.47Å1.48Å
C3N2sing1.47Å1.47Å
N2C1sing1.47Å1.47Å
C4H1sing1.09Å1.10Å
C4H2sing1.09Å1.10Å
C6H3sing1.09Å1.10Å
C6H4sing1.09Å1.10Å
C7H5sing1.09Å1.10Å
C7H6sing1.09Å1.10Å
C9H7sing1.08Å1.08Å
C10H8sing1.08Å1.08Å
C12H9sing1.08Å1.08Å
C13H10sing1.08Å1.08Å
C3H12sing1.09Å1.10Å
C3H13sing1.09Å1.10Å
C1H14sing1.09Å1.10Å
C1H15sing1.09Å1.10Å
C1H16sing1.09Å1.10Å
N14H17sing0.97Å1.00Å
C19H18sing1.08Å1.08Å
C20H19sing1.08Å1.08Å
N21H22sing0.97Å1.00Å
N25H20sing0.97Å1.00Å
C27H21sing1.08Å1.08Å
C28H23sing1.08Å1.08Å
C29H24sing1.08Å1.08Å
C30H25sing1.08Å1.08Å
C33H26sing1.09Å1.10Å
C33H27sing1.09Å1.10Å
C33H28sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C33O32C31119.9°117.0°
O32C33H26109.5°109.5°
O32C33H27109.4°109.5°
O32C33H28109.5°109.4°
O32C31C30120.4°120.1°
O32C31C26120.5°120.1°
C31C30C29120.5°120.0°
C30C31C26119.1°119.9°
C31C30H25119.7°120.0°
C30C29C28120.2°120.2°
C30C29H24119.9°119.9°
C29C30H25119.7°120.0°
C31C26N25121.0°120.1°
C31C26C27119.6°119.8°
C20C19C18120.8°119.9°
C19C20N21120.7°121.4°
C20C19H18119.6°120.0°
C19C20H19119.7°119.3°
C19C18N25117.5°120.6°
C19C18C17119.4°118.7°
C18C19H18119.6°120.1°
C20N21C23122.1°121.4°
N21C20H19119.6°119.3°
C20N21H22118.9°119.3°
C29C28C27119.9°120.1°
C29C28H23120.0°119.9°
C28C29H24119.9°119.9°
N25C26C27119.3°120.0°
C26N25C18126.3°120.0°
C26N25H20116.8°120.0°
C26C27C28120.6°120.0°
C26C27H21119.7°120.1°
N25C18C17123.1°120.7°
C18N25H20116.8°120.0°
C18C17C23116.2°118.7°
C18C17C15122.2°120.6°
N21C23C17120.7°119.9°
N21C23O24116.8°120.1°
C23N21H22118.9°119.4°
C28C27H21119.7°120.0°
C27C28H23120.1°119.9°
C17C23O24122.4°120.1°
C23C17C15121.5°120.7°
C17C15O16119.9°120.0°
C17C15N14120.9°120.0°
O16C15N14119.2°120.0°
C15N14C11130.3°120.0°
C15N14H17114.8°120.0°
N14C11C12124.1°120.0°
N14C11C10117.1°120.0°
C11N14H17114.9°119.9°
C12C11C10118.7°120.0°
C11C12C13120.5°120.0°
C11C12H9119.8°120.0°
C11C10C9121.0°120.0°
C11C10H8119.5°120.0°
C12C13C8120.9°120.0°
C13C12H9119.8°120.0°
C12C13H10119.6°120.1°
C10C9C8120.6°120.0°
C10C9H7119.7°120.0°
C9C10H8119.5°120.0°
C13C8C9118.3°120.0°
C13C8N5122.5°120.0°
C8C13H10119.6°120.0°
C9C8N5119.1°120.0°
C8C9H7119.7°120.0°
C8N5C6114.5°111.0°
C8N5C4109.9°111.0°
C6N5C4114.6°110.9°
N5C6C7112.4°109.4°
N5C6H3108.7°109.5°
N5C6H4108.7°109.5°
N5C4C3112.0°109.4°
N5C4H1108.8°109.5°
N5C4H2108.8°109.5°
C6C7N2110.5°109.4°
C7C6H3108.7°109.5°
C7C6H4108.7°109.6°
C6C7H5109.2°109.5°
C6C7H6109.2°109.5°
C4C3N2108.3°109.4°
C3C4H1108.8°109.5°
C3C4H2108.8°109.5°
C4C3H12109.8°109.5°
C4C3H13109.8°109.5°
C7N2C3112.3°110.8°
C7N2C1111.4°111.1°
N2C7H5109.2°109.4°
N2C7H6109.2°109.5°
C3N2C1110.8°111.0°
N2C3H12109.8°109.5°
N2C3H13109.8°109.5°
N2C1H14109.5°109.5°
N2C1H15109.5°109.5°
N2C1H16109.4°109.4°
H1C4H2109.5°109.5°
H3C6H4109.5°109.5°
H5C7H6109.5°109.5°
H12C3H13109.5°109.5°
H14C1H15109.4°109.5°
H14C1H16109.5°109.5°
H15C1H16109.5°109.5°
H26C33H27109.4°109.5°
H26C33H28109.5°109.4°
H27C33H28109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C33O32C31C3066.4°0.0°
C33O32C31C26114.7°179.5°
O32C33H26H27120.0°120.0°
O32C33H26H28120.0°119.9°
O32C33H27H28120.0°120.0°
O32C31C30C26178.9°179.5°
O32C31C30C29179.4°180.0°
O32C31C26N252.6°0.3°
O32C31C26C27177.6°180.0°
O32C31C30H250.6°0.5°
C31O32C33H26180.0°60.0°
C31O32C33H2760.0°60.0°
C31O32C33H2860.0°179.9°
C31C30C29H25180.0°179.5°
C31C30C29C281.0°0.2°
C30C31C26N25176.3°179.8°
C30C31C26C271.3°0.5°
C31C30C29H24179.1°179.8°
C29C30C31C260.5°0.5°
C30C29C28H24180.0°180.0°
C30C29C28C270.3°0.1°
C30C29C28H23179.7°180.0°
C31C26N25C27175.1°179.7°
C31C26N25C18101.8°171.0°
C31C26C27C282.6°0.2°
C31C26N25H2078.2°9.0°
C31C26C27H21177.4°179.7°
C26C31C30H25179.5°180.0°
C20C19C18H18180.0°180.0°
C19C20N21H19180.0°180.0°
C20C19C18N25178.8°180.0°
C20C19C18C171.2°0.0°
C19C20N21C231.2°0.4°
C19C20N21H22178.9°180.0°
C18C19C20N211.5°0.1°
C19C18N25C2669.1°70.3°
C19C18N25C17177.6°180.0°
C19C18C17C230.5°0.3°
C19C18C17C15179.6°180.0°
C18C19C20H19178.5°180.0°
C19C18N25H20110.9°109.7°
C20N21C23H22180.0°179.7°
C20N21C23C170.5°0.6°
C20N21C23O24179.6°180.0°
N21C20C19H18178.6°180.0°
C29C28C27C262.1°0.1°
C29C28C27H23180.0°179.9°
C29C28C27H21177.9°180.0°
C28C29C30H25179.1°179.7°
C26N25C18H20180.0°180.0°
C26N25C18C17113.4°109.7°
N25C26C27C28177.7°179.9°
N25C26C27H212.3°0.0°
C27C26N25C1883.1°9.3°
C26C27C28H21180.0°180.0°
C27C26N25H2096.9°170.7°
C26C27C28H23177.9°180.0°
N25C18C17C23178.1°179.8°
N25C18C17C152.9°0.0°
N25C18C19H181.2°0.1°
C18C17C23N210.2°0.6°
C18C17C23C15179.1°179.7°
C18C17C23O24179.3°180.0°
C18C17C15O165.1°9.5°
C18C17C15N14176.9°170.5°
C17C18C19H18178.9°180.0°
C17C18N25H2066.6°70.3°
N21C23C17O24179.0°179.4°
N21C23C17C15179.3°179.7°
C23N21C20H19178.8°179.7°
C27C28C29H24179.6°180.0°
C23C17C15O16173.9°170.7°
C23C17C15N144.2°9.2°
C17C23N21H22179.5°179.7°
O24C23C17C151.7°0.3°
O24C23N21H220.4°0.3°
C17C15O16N14178.1°180.0°
C17C15N14C11177.3°177.0°
C17C15N14H172.7°3.1°
O16C15N14C110.7°3.0°
O16C15N14H17179.3°177.0°
C15N14C11H17180.0°180.0°
C15N14C11C125.5°154.7°
C15N14C11C10178.1°24.9°
N14C11C12C10176.4°179.7°
N14C11C12C13177.8°179.7°
N14C11C10C9178.2°179.7°
N14C11C10H81.8°0.3°
N14C11C12H92.2°0.4°
C11C12C13H9180.0°179.9°
C12C11C10C91.5°0.0°
C11C12C13C80.0°0.1°
C12C11C10H8178.5°179.9°
C11C12C13H10180.0°179.9°
C12C11N14H17174.5°25.3°
C10C11C12C131.4°0.1°
C11C10C9H8180.0°180.0°
C11C10C9C80.1°0.0°
C11C10C9H7179.9°180.0°
C10C11C12H9178.6°180.0°
C10C11N14H171.9°155.0°
C12C13C8H10180.0°180.0°
C12C13C8C91.3°0.0°
C12C13C8N5177.8°180.0°
C10C9C8C131.3°0.0°
C10C9C8H7180.0°180.0°
C10C9C8N5177.8°180.0°
C13C8C9N5176.6°180.0°
C13C8N5C631.8°0.0°
C13C8N5C498.9°123.8°
C13C8C9H7178.7°180.0°
C8C13C12H9180.0°180.0°
C9C8N5C6151.8°180.0°
C9C8N5C477.5°56.2°
C8C9C10H8179.9°180.0°
C9C8C13H10178.7°180.0°
C8N5C6C4128.4°123.9°
C8N5C6C7174.1°176.8°
C8N5C4C3179.7°176.8°
C8N5C4H159.3°63.2°
C8N5C4H259.9°56.8°
C8N5C6H353.7°56.9°
C8N5C6H465.4°63.2°
N5C8C9H72.1°0.0°
N5C8C13H102.2°0.0°
N5C6C7H3120.4°119.9°
N5C6C7H4120.5°120.0°
C6N5C4C349.6°59.3°
N5C6C7N249.0°58.5°
C6N5C4H1170.0°60.6°
C6N5C4H270.7°179.3°
N5C6H3H4118.7°120.0°
N5C6C7H5169.2°178.3°
N5C6C7H671.1°61.6°
C4N5C6C745.8°59.3°
N5C4C3H1120.4°119.9°
N5C4C3H2120.4°120.0°
N5C4C3N255.9°58.4°
N5C4H1H2118.8°120.1°
C4N5C6H374.7°179.3°
C4N5C6H4166.2°60.7°
N5C4C3H1263.9°61.6°
N5C4C3H13175.7°178.4°
C6C7N2H5120.1°119.9°
C6C7N2H6120.2°120.1°
C6C7N2C358.9°59.4°
C6C7N2C1176.2°176.8°
C7C6H3H4118.6°120.1°
C6C7H5H6119.5°120.1°
C4C3N2C761.9°59.3°
C4C3N2H12119.8°120.0°
C4C3N2H13119.8°120.0°
C4C3N2C1172.9°176.8°
C3C4H1H2118.8°120.1°
C4C3H12H13120.5°120.0°
C7N2C3C1125.3°123.9°
N2C7C6H371.4°178.4°
N2C7C6H4169.5°61.5°
N2C7H5H6119.5°120.0°
C7N2C3H1258.0°60.7°
C7N2C3H13178.3°179.3°
C7N2C1H14180.0°59.9°
C7N2C1H1560.0°179.9°
C7N2C1H1660.0°60.0°
N2C3C4H1176.3°61.5°
N2C3C4H264.4°178.4°
C3N2C7H5179.0°179.3°
C3N2C7H661.3°60.7°
N2C3H12H13120.5°120.1°
C3N2C1H1454.2°63.8°
C3N2C1H15174.2°56.2°
C3N2C1H1665.8°176.2°
C1N2C7H556.0°56.9°
C1N2C7H663.7°63.1°
C1N2C3H1267.3°63.2°
C1N2C3H1353.0°56.8°
N2C1H14H15120.0°120.0°
N2C1H14H16120.0°119.9°
N2C1H15H16120.0°120.0°
H1C4C3H1256.5°178.4°
H1C4C3H1363.9°58.4°
H2C4C3H12175.7°58.4°
H2C4C3H1355.4°61.6°
H3C6C7H548.8°61.7°
H3C6C7H6168.5°58.4°
H4C6C7H570.3°58.3°
H4C6C7H649.4°178.4°
H7C9C10H80.1°0.0°
H9C12C13H100.0°0.0°
H14C1H15H16120.0°120.0°
H18C19C20H191.4°0.0°
H19C20N21H221.1°0.0°
H21C27C28H232.1°0.0°
H23C28C29H240.4°0.0°
H24C29C30H250.9°0.3°
H26C33H27H28120.0°120.0°

225399

PDB entries from 2024-09-25

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