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KSD

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C21O2sing1.43Å1.40Å
O2C19sing1.36Å1.41Å
C19C20doub1.39Å1.39ÅAromatic
C19C18sing1.39Å1.39ÅAromatic
N1C23sing1.47Å1.47Å
N1C24sing1.47Å1.46Å
C20C15sing1.39Å1.39ÅAromatic
C13C1sing1.51Å1.53Å
C26C24sing1.53Å1.53Å
C23C18sing1.51Å1.55Å
C18C17doub1.39Å1.39ÅAromatic
C24C25sing1.51Å1.53Å
C14O1sing1.43Å1.41Å
C14C6sing1.51Å1.54Å
C10C9doub1.38Å1.38ÅAromatic
C10C11sing1.38Å1.39ÅAromatic
C9C8sing1.38Å1.39ÅAromatic
C11C12doub1.38Å1.39ÅAromatic
C15O1sing1.36Å1.43Å
C15C16doub1.39Å1.39ÅAromatic
C1C6doub1.38Å1.39ÅAromatic
C1C2sing1.39Å1.40ÅAromatic
C8C7doub1.39Å1.39ÅAromatic
C12C7sing1.39Å1.39ÅAromatic
C7C2sing1.48Å1.53Å
C6C5sing1.38Å1.39ÅAromatic
C17C16sing1.39Å1.39ÅAromatic
C17O3sing1.36Å1.41Å
C25O4doub1.21Å1.29Å
C25O5sing1.34Å1.27Å
C2C3doub1.39Å1.39ÅAromatic
O3C22sing1.43Å1.40Å
C5C4doub1.38Å1.39ÅAromatic
C3C4sing1.38Å1.39ÅAromatic
C4H1sing1.08Å1.08Å
C14H2sing1.09Å1.10Å
C14H3sing1.09Å1.10Å
C5H4sing1.08Å1.08Å
C11H5sing1.08Å1.08Å
C8H6sing1.08Å1.08Å
C9H7sing1.08Å1.08Å
C10H8sing1.08Å1.08Å
C12H9sing1.08Å1.08Å
C13H10sing1.09Å1.10Å
C13H11sing1.09Å1.10Å
C13H12sing1.09Å1.10Å
N1H13sing1.01Å1.00Å
C3H15sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
C20H17sing1.08Å1.08Å
C21H18sing1.09Å1.10Å
C21H19sing1.09Å1.10Å
C21H20sing1.09Å1.10Å
C22H21sing1.09Å1.10Å
C22H22sing1.09Å1.10Å
C22H23sing1.09Å1.10Å
C23H24sing1.09Å1.10Å
C23H25sing1.09Å1.10Å
C24H26sing1.09Å1.10Å
C26H27sing1.09Å1.10Å
C26H28sing1.09Å1.10Å
C26H29sing1.09Å1.10Å
O5H30sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C21O2C19117.8°117.0°
O2C21H18109.5°109.4°
O2C21H19109.4°109.4°
O2C21H20109.5°109.4°
O2C19C20121.8°120.0°
O2C19C18117.9°120.0°
C20C19C18120.2°120.0°
C19C20C15119.8°120.0°
C19C20H17120.1°120.0°
C19C18C23119.5°120.0°
C19C18C17119.9°120.0°
C23N1C24107.6°111.0°
N1C23C18114.6°109.5°
C23N1H13110.0°111.0°
N1C23H24108.2°109.5°
N1C23H25108.2°109.5°
N1C24C26112.5°109.4°
N1C24C25109.1°109.5°
C24N1H13109.9°111.0°
N1C24H26108.9°109.4°
C20C15O1121.8°120.0°
C20C15C16119.9°120.0°
C15C20H17120.1°120.0°
C13C1C6118.0°120.1°
C13C1C2122.3°120.0°
C1C13H10109.5°109.4°
C1C13H11109.5°109.5°
C1C13H12109.5°109.5°
C26C24C25110.1°109.5°
C26C24H26108.1°109.5°
C24C26H27109.5°109.5°
C24C26H28109.4°109.4°
C24C26H29109.4°109.5°
C23C18C17120.6°120.0°
C18C23H24108.2°109.4°
C18C23H25108.2°109.5°
C18C17C16120.0°120.0°
C18C17O3119.4°120.0°
C24C25O4121.7°120.0°
C24C25O5117.3°120.0°
C25C24H26108.0°109.5°
O1C14C6105.0°109.5°
C14O1C15117.1°117.0°
O1C14H2110.6°109.5°
O1C14H3110.6°109.4°
C14C6C1119.9°120.0°
C14C6C5118.9°119.9°
C6C14H2110.6°109.5°
C6C14H3110.6°109.5°
C9C10C11119.4°120.3°
C10C9C8120.1°120.1°
C10C9H7120.0°120.0°
C9C10H8120.3°119.8°
C10C11C12121.1°120.1°
C10C11H5119.5°120.0°
C11C10H8120.3°119.9°
C9C8C7120.4°119.9°
C9C8H6119.8°120.0°
C8C9H7119.9°120.0°
C11C12C7119.0°119.9°
C12C11H5119.4°119.9°
C11C12H9120.5°120.1°
O1C15C16118.3°120.0°
C15C16C17120.1°120.0°
C15C16H16119.9°120.0°
C6C1C2119.7°119.9°
C1C6C5121.1°120.1°
C1C2C7121.1°120.2°
C1C2C3119.2°119.7°
C8C7C12120.0°119.8°
C8C7C2118.6°120.2°
C7C8H6119.8°120.1°
C12C7C2121.4°120.1°
C7C12H9120.5°120.1°
C7C2C3119.7°120.1°
C6C5C4118.8°120.2°
C6C5H4120.6°119.9°
C16C17O3120.5°120.0°
C17C16H16119.9°120.0°
C17O3C22115.8°117.0°
O4C25O5121.0°120.0°
C25O5H30109.5°117.0°
C2C3C4120.7°119.9°
C2C3H15119.6°120.1°
O3C22H21109.5°109.5°
O3C22H22109.5°109.5°
O3C22H23109.5°109.5°
C5C4C3120.4°120.1°
C5C4H1119.8°120.0°
C4C5H4120.6°119.9°
C3C4H1119.8°119.9°
C4C3H15119.7°120.0°
H2C14H3109.4°109.5°
H10C13H11109.5°109.5°
H10C13H12109.4°109.4°
H11C13H12109.5°109.5°
H18C21H19109.5°109.5°
H18C21H20109.5°109.5°
H19C21H20109.5°109.5°
H21C22H22109.4°109.5°
H21C22H23109.5°109.5°
H22C22H23109.5°109.4°
H24C23H25109.4°109.5°
H27C26H28109.5°109.5°
H27C26H29109.5°109.5°
H28C26H29109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C21O2C19C2042.7°0.1°
C21O2C19C18138.8°179.5°
O2C21H18H19120.0°120.0°
O2C21H18H20120.0°119.9°
O2C21H19H20120.0°119.9°
O2C19C20C18178.4°179.6°
O2C19C20C15178.9°180.0°
O2C19C18C231.7°0.2°
O2C19C18C17179.5°179.8°
O2C19C20H171.1°0.4°
C19O2C21H18180.0°180.0°
C19O2C21H1960.0°60.0°
C19O2C21H2060.0°60.1°
C19C20C15H17180.0°179.6°
C20C19C18C23179.8°179.8°
C20C19C18C171.1°0.2°
C19C20C15O1179.5°179.8°
C19C20C15C160.6°0.4°
C19C18C23N181.6°90.0°
C18C19C20C150.5°0.4°
C19C18C23C17178.7°180.0°
C19C18C17C160.5°NaN°
C19C18C17O3179.8°180.0°
C18C19C20H17179.5°180.0°
C19C18C23H24157.6°150.0°
C19C18C23H2539.2°30.0°
C23N1C24H13119.7°124.0°
C23N1C24C26158.8°85.0°
N1C23C18H24120.8°120.0°
N1C23C18H25120.8°120.0°
N1C23C18C1799.7°90.0°
C23N1C24C2578.7°155.0°
N1C23H24H25117.7°120.0°
C23N1C24H2638.9°35.0°
N1C24C26C25121.9°120.0°
N1C24C26H26120.3°119.9°
C24N1C23C18127.1°180.0°
N1C24C25H26118.2°120.0°
N1C24C25O422.0°0.0°
N1C24C25O5157.4°180.0°
C24N1C23H246.3°60.0°
C24N1C23H25112.2°60.0°
N1C24C26H27180.0°60.0°
N1C24C26H2860.0°180.0°
N1C24C26H2960.0°60.1°
C20C15O1C1425.5°0.2°
C20C15O1C16179.0°179.8°
C20C15C16C171.1°0.2°
C20C15C16H16178.9°179.7°
C13C1C6C140.6°0.1°
C13C1C6C2179.8°179.7°
C13C1C2C70.2°0.0°
C13C1C6C5179.4°180.0°
C13C1C2C3179.0°180.0°
C1C13H10H11120.0°120.0°
C1C13H10H12120.0°119.9°
C1C13H11H12120.0°120.0°
C26C24C25H26117.9°120.0°
C26C24C25O4102.0°120.0°
C26C24C25O578.6°60.1°
C26C24N1H1381.5°151.0°
C24C26H27H28120.0°120.0°
C24C26H27H29120.0°120.0°
C24C26H28H29120.0°119.9°
C23C18C17C16179.2°180.0°
C23C18C17O31.1°0.1°
C18C23N1H137.3°56.0°
C18C23H24H25117.6°120.0°
C18C17C16C150.6°NaN°
C18C17C16O3179.6°180.0°
C18C17O3C22155.8°180.0°
C18C17C16H16179.4°179.9°
C17C18C23H2421.1°30.0°
C17C18C23H25139.5°150.0°
C24C25O4O5179.4°179.9°
C25C24N1H1341.0°31.0°
C25C24C26H2758.1°180.0°
C25C24C26H2861.9°60.0°
C25C24C26H29178.1°60.0°
C24C25O5H30179.4°180.0°
O1C14C6H2119.3°120.0°
O1C14C6H3119.3°119.9°
C14O1C15C16155.5°180.0°
O1C14C6C1161.5°179.9°
O1C14C6C518.5°0.0°
O1C14H2H3122.0°120.0°
C6C14O1C15159.8°180.0°
C14C6C1C5180.0°179.9°
C14C6C1C2179.6°179.7°
C14C6C5C4179.9°180.0°
C6C14H2H3122.1°120.0°
C14C6C5H40.1°0.1°
C9C10C11H8180.0°179.9°
C10C9C8H7180.0°179.2°
C9C10C11C121.3°0.2°
C10C9C8C70.3°0.8°
C9C10C11H5178.7°179.7°
C10C9C8H6179.7°179.8°
C11C10C9C80.9°0.4°
C10C11C12H5180.0°179.6°
C10C11C12C71.1°0.4°
C11C10C9H7179.1°179.7°
C10C11C12H9178.8°179.7°
C9C8C7H6180.0°179.4°
C9C8C7C120.1°0.5°
C9C8C7C2178.6°179.5°
C8C9C10H8179.1°179.5°
C11C12C7C80.5°0.1°
C11C12C7H9180.0°179.9°
C11C12C7C2178.2°179.9°
C12C11C10H8178.6°179.9°
O1C15C16C17179.9°180.0°
C15O1C14H280.9°60.0°
C15O1C14H340.5°60.1°
O1C15C16H160.1°0.1°
O1C15C20H170.4°0.1°
C15C16C17H16180.0°179.9°
C15C16C17O3179.1°180.0°
C16C15C20H17179.4°180.0°
C6C1C2C7179.6°179.7°
C6C1C2C30.8°0.3°
C1C6C5C40.1°0.0°
C1C6C14H279.1°60.0°
C1C6C14H342.2°60.0°
C1C6C5H4179.9°180.0°
C6C1C13H1090.1°92.9°
C6C1C13H11149.9°147.1°
C6C1C13H1229.9°27.1°
C1C2C7C8111.0°123.9°
C1C2C7C1267.7°56.1°
C1C2C7C3178.8°179.9°
C2C1C6C50.4°0.3°
C1C2C3C41.0°0.1°
C2C1C13H1090.1°86.8°
C2C1C13H1129.9°33.2°
C2C1C13H12149.9°153.3°
C1C2C3H15179.0°180.0°
C8C7C12C2178.7°180.0°
C8C7C2C367.7°56.0°
C7C8C9H7179.7°180.0°
C8C7C12H9179.5°180.0°
C12C7C2C3113.5°124.0°
C7C12C11H5178.9°180.0°
C12C7C8H6179.9°179.9°
C7C2C3C4179.8°180.0°
C2C7C8H61.3°0.1°
C2C7C12H91.8°0.0°
C7C2C3H150.2°0.1°
C6C5C4H4180.0°179.9°
C6C5C4C30.3°0.2°
C6C5C4H1179.7°180.0°
C5C6C14H2100.8°120.0°
C5C6C14H3137.8°119.9°
C16C17O3C2223.9°0.1°
O3C17C16H160.9°0.0°
C17O3C22H21180.0°59.9°
C17O3C22H2260.0°60.1°
C17O3C22H2360.0°180.0°
O4C25C24H26140.2°120.0°
O4C25O5H300.0°0.0°
O5C25C24H2639.2°60.0°
C2C3C4C50.7°0.2°
C2C3C4H15180.0°179.9°
C2C3C4H1179.3°180.0°
O3C22H21H22120.0°120.0°
O3C22H21H23120.0°120.1°
O3C22H22H23120.0°120.0°
C5C4C3H1180.0°179.7°
C5C4C3H15179.3°179.7°
C3C4C5H4179.7°179.7°
H1C4C5H40.3°0.1°
H1C4C3H150.7°0.1°
H5C11C10H81.4°0.4°
H5C11C12H91.2°0.1°
H6C8C9H70.3°0.6°
H7C9C10H80.9°0.2°
H10C13H11H12120.0°120.0°
H13N1C23H24113.4°63.9°
H13N1C23H25128.1°176.0°
H13N1C24H26158.7°89.0°
H18C21H19H20120.0°120.1°
H21C22H22H23120.0°120.0°
H26C24C26H2759.7°60.0°
H26C24C26H28179.7°60.1°
H26C24C26H2960.3°180.0°
H27C26H28H29120.0°120.0°

222415

PDB entries from 2024-07-10

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