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923

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.40Å1.40ÅAromatic
C1C6sing1.37Å1.39ÅAromatic
C1H1sing1.08Å1.08Å
C2C3sing1.40Å1.40ÅAromatic
C2C10sing1.47Å1.48Å
C3C4doub1.37Å1.39ÅAromatic
C3H3sing1.08Å1.08Å
C4C5sing1.40Å1.38ÅAromatic
C4H4sing1.08Å1.08Å
C5C6doub1.39Å1.36ÅAromatic
C5O9sing1.36Å1.37Å
C6C7sing1.52Å1.51Å
C7C8sing1.55Å1.54Å
C7H7sing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
C8O9sing1.44Å1.45Å
C8C29sing1.53Å1.52Å
C8H8sing1.09Å1.10Å
C10C11doub1.36Å1.46Å
C10H10sing1.08Å1.08Å
C11O12sing1.36Å1.27Å
C11C15sing1.42Å1.36Å
O12C13sing1.35Å1.27Å
C13C14sing1.41Å1.40Å
C13O33doub1.22Å1.28Å
C14C15doub1.39Å1.37Å
C14C16sing1.48Å1.48Å
C15O34sing1.35Å1.48Å
C16C17doub1.40Å1.40ÅAromatic
C16C21sing1.39Å1.40ÅAromatic
C17C18sing1.37Å1.39ÅAromatic
C17H17sing1.08Å1.08Å
C18C19doub1.39Å1.37ÅAromatic
C18C22sing1.52Å1.50Å
C19C20sing1.39Å1.39ÅAromatic
C19O24sing1.36Å1.37Å
C20C21doub1.38Å1.39ÅAromatic
C20H20sing1.08Å1.08Å
C21H21sing1.08Å1.08Å
C22C23sing1.55Å1.53Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
C23O24sing1.44Å1.45Å
C23C25sing1.53Å1.52Å
C23H23sing1.09Å1.10Å
C25C26sing1.53Å1.53Å
C25O27sing1.43Å1.43Å
C25C28sing1.53Å1.52Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C26H26Bsing1.09Å1.10Å
O27HO27sing0.97Å0.95Å
C28H28sing1.09Å1.10Å
C28H28Asing1.09Å1.10Å
C28H28Bsing1.09Å1.10Å
C29O30sing1.43Å1.44Å
C29C31sing1.53Å1.53Å
C29C32sing1.53Å1.53Å
O30HO30sing0.97Å0.95Å
C31H31sing1.09Å1.10Å
C31H31Asing1.09Å1.10Å
C31H31Bsing1.09Å1.10Å
C32H32sing1.09Å1.10Å
C32H32Asing1.09Å1.10Å
C32H32Bsing1.09Å1.10Å
O34HO34sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6117.0°119.8°
C2C1H1121.5°120.1°
C1C2C3121.1°119.4°
C1C2C10123.6°120.3°
C6C1H1121.5°120.1°
C1C6C5122.0°121.0°
C1C6C7128.1°132.0°
C3C2C10115.2°120.3°
C2C3C4120.2°120.1°
C2C3H3119.9°119.9°
C2C10C11124.6°120.0°
C2C10H10117.7°120.0°
C4C3H3119.9°120.0°
C3C4C5118.1°120.5°
C3C4H4120.9°119.7°
C5C4H4120.9°119.7°
C4C5C6121.5°119.1°
C4C5O9124.8°129.7°
C6C5O9113.6°111.2°
C5C6C7109.9°107.0°
C5O9C8106.3°109.3°
C6C7C8100.1°101.9°
C6C7H7111.8°111.0°
C6C7H7A111.8°110.9°
C8C7H7111.7°110.9°
C8C7H7A111.7°110.9°
C7C8O9109.2°102.8°
C7C8C29112.6°110.8°
C7C8H8108.5°110.7°
H7C7H7A109.5°110.9°
O9C8C29108.1°110.8°
O9C8H8109.7°110.7°
C29C8H8108.7°110.8°
C8C29O30109.2°109.5°
C8C29C31109.0°109.4°
C8C29C32109.0°109.4°
C11C10H10117.7°120.0°
C10C11O12128.9°125.8°
C10C11C15121.7°125.8°
O12C11C15109.4°108.3°
C11O12C13108.1°109.6°
C11C15C14109.6°106.7°
C11C15O34124.2°126.7°
O12C13C14113.4°108.6°
O12C13O33122.3°125.7°
C14C13O33124.3°125.7°
C13C14C1599.5°106.9°
C13C14C16130.8°126.6°
C15C14C16129.7°126.6°
C14C15O34126.2°126.6°
C14C16C17120.9°120.2°
C14C16C21119.2°120.3°
C15O34HO34109.5°114.0°
C17C16C21119.9°119.4°
C16C17C18117.6°119.9°
C16C17H17121.2°120.1°
C16C21C20121.0°120.2°
C16C21H21119.5°119.9°
C18C17H17121.2°120.0°
C17C18C19122.6°120.9°
C17C18C22129.9°132.1°
C19C18C22107.5°107.0°
C18C19C20120.6°119.1°
C18C19O24113.8°111.2°
C18C22C23104.1°102.0°
C18C22H22110.8°110.9°
C18C22H22A110.8°110.9°
C20C19O24125.6°129.7°
C19C20C21118.3°120.4°
C19C20H20120.9°119.8°
C19O24C23108.7°109.2°
C21C20H20120.9°119.8°
C20C21H21119.5°119.9°
C23C22H22110.8°111.0°
C23C22H22A110.8°110.9°
C22C23O24105.5°102.8°
C22C23C25113.0°110.8°
C22C23H23108.5°110.7°
H22C22H22A109.5°110.8°
O24C23C25111.6°110.8°
O24C23H23109.6°110.7°
C25C23H23108.6°110.8°
C23C25C26109.7°109.5°
C23C25O27109.8°109.5°
C23C25C28110.2°109.4°
C26C25O27108.5°109.5°
C26C25C28108.4°109.5°
C25C26H26109.5°109.5°
C25C26H26A109.5°109.5°
C25C26H26B109.5°109.5°
O27C25C28110.1°109.5°
C25O27HO27109.5°114.0°
C25C28H28109.5°109.5°
C25C28H28A109.5°109.5°
C25C28H28B109.4°109.5°
H26C26H26A109.5°109.5°
H26C26H26B109.4°109.5°
H26AC26H26B109.5°109.4°
H28C28H28A109.4°109.4°
H28C28H28B109.5°109.5°
H28AC28H28B109.5°109.5°
O30C29C31111.9°109.5°
O30C29C32107.3°109.5°
C29O30HO30109.5°114.0°
C31C29C32110.3°109.5°
C29C31H31109.5°109.5°
C29C31H31A109.4°109.4°
C29C31H31B109.5°109.5°
C29C32H32109.5°109.5°
C29C32H32A109.4°109.5°
C29C32H32B109.5°109.5°
H31C31H31A109.5°109.5°
H31C31H31B109.5°109.5°
H31AC31H31B109.5°109.4°
H32C32H32A109.5°109.5°
H32C32H32B109.4°109.5°
H32AC32H32B109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6H1180.0°179.7°
C1C2C3C10175.8°179.9°
C1C2C3C42.9°0.2°
C1C2C3H3177.1°179.8°
C2C1C6C52.5°0.3°
C2C1C6C7178.7°179.1°
C1C2C10C1110.1°6.2°
C1C2C10H10169.9°173.9°
C6C1C2C34.0°0.1°
C6C1C2C10179.4°180.0°
C1C6C5C40.1°0.4°
C1C6C5C7179.0°179.5°
C1C6C5O9179.8°179.0°
C1C6C7C8175.0°164.3°
C1C6C7H766.5°77.5°
C1C6C7H7A56.6°46.2°
H1C1C2C3176.0°179.8°
H1C1C2C100.6°0.3°
H1C1C6C5177.5°179.4°
H1C1C6C71.3°1.2°
C2C3C4H3180.0°180.0°
C2C3C4C50.3°0.1°
C2C3C4H4179.7°179.9°
C3C2C10C11165.5°173.8°
C3C2C10H1014.5°6.2°
C10C2C3C4178.7°179.8°
C10C2C3H31.3°0.1°
C2C10C11H10180.0°180.0°
C2C10C11O120.6°5.2°
C2C10C11C15178.8°175.0°
C3C4C5H4180.0°180.0°
C3C4C5C61.3°0.3°
C3C4C5O9179.0°179.0°
H3C3C4C5179.8°180.0°
H3C3C4H40.3°0.0°
C4C5C6O9179.8°179.4°
C4C5C6C7178.9°179.1°
C4C5O9C8175.0°161.2°
H4C4C5C6178.8°179.7°
H4C4C5O91.0°1.0°
C5C6C7C86.1°15.1°
C5C6C7H7112.4°103.0°
C5C6C7H7A124.5°133.2°
C6C5O9C85.2°19.4°
O9C5C6C70.9°1.5°
C5O9C8C79.1°28.0°
C5O9C8C29131.9°146.3°
C5O9C8H8109.6°90.3°
C6C7C8H7118.5°118.2°
C6C7C8H7A118.4°118.1°
C6C7H7H7A124.4°123.8°
C6C7C8O99.1°25.2°
C6C7C8C29129.2°143.6°
C6C7C8H8110.4°93.0°
C8C7H7H7A124.4°123.7°
C7C8O9C29122.8°118.4°
C7C8O9H8118.8°118.2°
C7C8C29H8120.3°123.3°
C7C8C29O3063.1°55.1°
C7C8C29C3159.6°65.0°
C7C8C29C32180.0°175.0°
H7C7C8O9109.3°92.9°
H7C7C8C2910.7°25.5°
H7C7C8H8131.2°148.8°
H7AC7C8O9127.6°143.4°
H7AC7C8C29112.3°98.2°
H7AC7C8H88.1°25.2°
O9C8C29H8119.0°123.3°
O9C8C29O30176.2°58.4°
O9C8C29C3161.1°178.4°
O9C8C29C3259.3°61.6°
C8C29O30C31120.9°120.0°
C8C29O30C32118.1°119.9°
C8C29C31C32119.7°120.0°
C8C29O30HO30180.0°60.0°
C8C29C31H31180.0°60.0°
C8C29C31H31A60.0°180.0°
C8C29C31H31B60.0°60.1°
C8C29C32H32180.0°55.0°
C8C29C32H32A60.0°175.1°
C8C29C32H32B60.0°65.0°
H8C8C29O3057.2°178.4°
H8C8C29C31179.8°58.3°
H8C8C29C3259.7°61.7°
C10C11O12C15179.5°179.8°
C10C11O12C13179.1°179.9°
C10C11C15C14179.2°179.9°
C10C11C15O341.0°0.1°
H10C10C11O12179.4°174.8°
H10C10C11C151.2°4.9°
C11O12C13C140.3°0.1°
C11O12C13O33179.7°179.9°
O12C11C15C140.3°0.3°
O12C11C15O34178.5°179.7°
C15C11O12C130.4°0.2°
C11C15C14C130.1°0.4°
C11C15C14O34178.2°180.0°
C11C15C14C16179.3°179.9°
C11C15O34HO34180.0°0.2°
O12C13C14O33180.0°179.9°
O12C13C14C150.1°0.3°
O12C13C14C16179.5°180.0°
C13C14C15C16179.4°179.7°
C13C14C15O34178.3°179.7°
C13C14C16C17175.4°65.0°
C13C14C16C215.6°114.7°
O33C13C14C15179.9°179.8°
O33C13C14C160.5°0.2°
C15C14C16C175.4°115.3°
C15C14C16C21173.6°64.9°
C14C15O34HO342.0°179.8°
C16C14C15O341.1°0.0°
C14C16C17C21179.0°179.7°
C14C16C17C18180.0°180.0°
C14C16C17H170.0°0.1°
C14C16C21C20179.2°179.6°
C14C16C21H210.8°0.2°
C16C17C18H17180.0°179.9°
C16C17C18C191.5°0.3°
C16C17C18C22179.7°179.1°
C17C16C21C200.2°0.7°
C17C16C21H21179.8°179.6°
C21C16C17C181.0°0.3°
C21C16C17H17179.0°179.8°
C16C21C20C190.2°0.5°
C16C21C20H21180.0°179.7°
C16C21C20H20179.8°179.7°
C17C18C19C22178.6°179.5°
C17C18C19C201.1°0.6°
C17C18C19O24178.7°179.0°
C17C18C22C23174.9°164.3°
C17C18C22H2255.7°77.4°
C17C18C22H22A66.0°46.1°
H17C17C18C19178.5°179.6°
H17C17C18C220.3°1.0°
C18C19C20O24179.8°179.5°
C18C19C20C210.2°0.1°
C18C19C20H20179.8°179.7°
C19C18C22C233.5°15.1°
C19C18C22H22122.7°103.1°
C19C18C22H22A115.6°133.3°
C18C19O24C234.0°19.4°
C22C18C19C20179.7°179.0°
C22C18C19O240.1°1.5°
C18C22C23H22119.2°118.2°
C18C22C23H22A119.1°118.2°
C18C22H22H22A122.5°123.7°
C18C22C23O245.7°25.3°
C18C22C23C25116.5°143.6°
C18C22C23H23123.0°93.0°
C19C20C21H20180.0°179.8°
C19C20C21H21179.8°179.8°
C20C19O24C23175.8°161.1°
O24C19C20C21179.5°179.3°
O24C19C20H200.5°0.9°
C19O24C23C225.9°27.9°
C19O24C23C25117.1°146.3°
C19O24C23H23122.6°90.3°
H20C20C21H210.2°0.0°
C23C22H22H22A122.5°123.7°
C22C23O24C25123.1°118.3°
C22C23O24H23116.7°118.3°
C22C23C25H23120.5°123.3°
C22C23C25C2671.6°180.0°
C22C23C25O2747.7°60.0°
C22C23C25C28169.1°60.0°
H22C22C23O24124.8°92.9°
H22C22C23C252.7°25.4°
H22C22C23H23117.8°148.8°
H22AC22C23O24113.5°143.5°
H22AC22C23C25124.4°98.2°
H22AC22C23H233.9°25.2°
O24C23C25H23120.8°123.3°
O24C23C25C26169.7°66.6°
O24C23C25O2771.0°53.4°
O24C23C25C2850.4°173.4°
C23C25C26O27120.0°120.0°
C23C25C26C28120.4°120.0°
C23C25O27C28121.5°120.0°
C23C25C26H26180.0°60.0°
C23C25C26H26A60.0°180.0°
C23C25C26H26B60.0°60.0°
C23C25O27HO27180.0°60.0°
C23C25C28H28180.0°60.0°
C23C25C28H28A60.0°179.9°
C23C25C28H28B60.0°60.0°
H23C23C25C2648.9°56.7°
H23C23C25O27168.1°176.7°
H23C23C25C2870.4°63.3°
C26C25O27C28118.5°120.0°
C25C26H26H26A120.0°120.0°
C25C26H26H26B120.0°120.0°
C25C26H26AH26B120.0°120.0°
C26C25O27HO2760.1°180.0°
C26C25C28H2859.9°60.0°
C26C25C28H28A60.1°60.0°
C26C25C28H28B179.9°180.0°
O27C25C26H2660.0°60.0°
O27C25C26H26A60.0°60.0°
O27C25C26H26B180.0°180.0°
O27C25C28H2858.7°180.0°
O27C25C28H28A178.7°60.1°
O27C25C28H28B61.3°60.0°
C28C25C26H2659.6°180.0°
C28C25C26H26A179.6°60.0°
C28C25C26H26B60.4°60.0°
C28C25O27HO2758.5°60.0°
C25C28H28H28A120.0°120.0°
C25C28H28H28B120.0°120.0°
C25C28H28AH28B120.0°120.0°
H26C26H26AH26B119.9°120.0°
H28C28H28AH28B120.0°120.0°
O30C29C31C32119.3°120.1°
O30C29C31H3159.0°180.0°
O30C29C31H31A179.0°60.0°
O30C29C31H31B61.0°59.9°
O30C29C32H3261.8°64.9°
O30C29C32H32A58.2°55.1°
O30C29C32H32B178.2°175.0°
C31C29O30HO3059.1°180.0°
C29C31H31H31A120.0°120.0°
C29C31H31H31B120.0°120.1°
C29C31H31AH31B120.0°119.9°
C31C29C32H3260.3°175.0°
C31C29C32H32A179.7°65.0°
C31C29C32H32B59.7°55.0°
C32C29O30HO3061.9°59.9°
C32C29C31H3160.3°59.9°
C32C29C31H31A59.7°60.1°
C32C29C31H31B179.7°180.0°
C29C32H32H32A120.0°120.0°
C29C32H32H32B120.0°120.1°
C29C32H32AH32B120.0°120.0°
H31C31H31AH31B120.0°120.0°
H32C32H32AH32B120.0°120.0°

222415

PDB entries from 2024-07-10

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