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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1sing1.53Å1.51Å
C1C2sing1.51Å1.50Å
C3C2doub1.35Å1.34Å
C4C3sing1.42Å1.43Å
C5C4doub1.35Å1.35Å
C5C6sing1.52Å1.51Å
C6C7sing1.53Å1.52Å
OC7sing1.43Å1.44Å
C7C8sing1.53Å1.52Å
C8C9sing1.53Å1.52Å
O1C9sing1.43Å1.42Å
C9C10sing1.52Å1.51Å
C10C5sing1.48Å1.45Å
C11C10doub1.33Å1.32Å
C2C12sing1.47Å1.48Å
C12C13doub1.40Å1.39ÅAromatic
C13C14sing1.38Å1.39ÅAromatic
C15C14doub1.38Å1.39ÅAromatic
C16C15sing1.38Å1.38ÅAromatic
C17C16doub1.38Å1.38ÅAromatic
C12C17sing1.40Å1.39ÅAromatic
C14C18sing1.51Å1.51Å
C18C19sing1.53Å1.54Å
C19C20sing1.47Å1.47Å
C20C21trip1.17Å1.21Å
C21C22sing1.47Å1.46Å
C22C23sing1.53Å1.54Å
C24C23sing1.53Å1.52Å
C25C23sing1.53Å1.52Å
C23O2sing1.43Å1.44Å
C7Hsing1.09Å1.10Å
C8H13sing1.09Å1.10Å
C8H12sing1.09Å1.10Å
C9H1sing1.09Å1.10Å
O1H14sing0.97Å0.95Å
C1H5sing1.09Å1.10Å
C1H6sing1.09Å1.10Å
C6H9sing1.09Å1.10Å
C6H10sing1.09Å1.10Å
C4H8sing1.08Å1.08Å
C3H7sing1.08Å1.08Å
CH2sing1.09Å1.10Å
CH4sing1.09Å1.10Å
CH3sing1.09Å1.10Å
OH11sing0.97Å0.95Å
C11H16sing1.08Å1.08Å
C11H15sing1.08Å1.08Å
C13H17sing1.08Å1.08Å
C15H18sing1.08Å1.08Å
C16H19sing1.08Å1.08Å
C17H20sing1.08Å1.08Å
C18H21sing1.09Å1.10Å
C18H22sing1.09Å1.10Å
C19H23sing1.09Å1.10Å
C19H24sing1.09Å1.10Å
C22H26sing1.09Å1.10Å
C22H25sing1.09Å1.10Å
C24H29sing1.09Å1.10Å
C24H27sing1.09Å1.10Å
C24H28sing1.09Å1.10Å
C25H32sing1.09Å1.10Å
C25H30sing1.09Å1.10Å
C25H31sing1.09Å1.10Å
O2H33sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CC1C2112.9°109.4°
CC1H5108.6°109.5°
CC1H6108.6°109.5°
C1CH2109.5°109.4°
C1CH4109.5°109.5°
C1CH3109.5°109.5°
C1C2C3124.0°120.0°
C1C2C12111.3°120.0°
C2C1H5108.6°109.5°
C2C1H6108.6°109.5°
C2C3C4124.7°120.0°
C3C2C12124.2°120.0°
C2C3H7117.6°120.1°
C3C4C5128.1°120.0°
C3C4H8116.0°120.0°
C4C3H7117.6°120.0°
C4C5C6120.9°121.6°
C4C5C10122.9°121.6°
C5C4H8115.9°120.0°
C5C6C7114.2°108.3°
C6C5C10115.2°116.8°
C5C6H9108.3°109.7°
C5C6H10108.3°109.7°
C6C7O109.5°109.4°
C6C7C8109.7°109.8°
C6C7H108.9°109.4°
C7C6H9108.3°109.7°
C7C6H10108.3°109.7°
OC7C8109.9°109.4°
OC7H109.9°109.5°
C7OH11109.5°114.0°
C7C8C9110.0°109.8°
C8C7H108.9°109.4°
C7C8H13109.4°109.4°
C7C8H12109.4°109.4°
C8C9O1108.9°109.7°
C8C9C10110.0°108.4°
C9C8H13109.3°109.4°
C9C8H12109.3°109.5°
C8C9H1108.5°109.7°
O1C9C10111.0°109.7°
O1C9H1109.8°109.7°
C9O1H14109.5°114.0°
C9C10C5115.2°116.8°
C9C10C11120.4°121.6°
C10C9H1108.6°109.7°
C5C10C11124.0°121.6°
C10C11H16120.0°120.0°
C10C11H15120.0°120.0°
C2C12C13120.6°120.2°
C2C12C17120.2°120.1°
C12C13C14120.9°119.8°
C13C12C17119.1°119.7°
C12C13H17119.6°120.1°
C13C14C15118.9°120.2°
C13C14C18120.5°119.9°
C14C13H17119.5°120.1°
C14C15C16120.6°120.4°
C15C14C18120.6°119.9°
C14C15H18119.7°119.8°
C15C16C17120.2°120.2°
C16C15H18119.7°119.8°
C15C16H19119.9°119.9°
C16C17C12120.2°119.8°
C17C16H19119.9°119.9°
C16C17H20119.9°120.1°
C12C17H20119.8°120.1°
C14C18C19108.8°109.5°
C14C18H21109.6°109.5°
C14C18H22109.7°109.5°
C18C19C20112.0°109.5°
C19C18H21109.6°109.5°
C19C18H22109.6°109.4°
C18C19H23108.8°109.5°
C18C19H24108.9°109.5°
C19C20C21162.1°180.0°
C20C19H23108.8°109.5°
C20C19H24108.8°109.4°
C20C21C22173.8°180.0°
C21C22C23116.2°109.5°
C21C22H26107.8°109.4°
C21C22H25107.7°109.5°
C22C23C24109.9°109.5°
C22C23C25111.5°109.5°
C22C23O2111.0°109.5°
C23C22H26107.8°109.5°
C23C22H25107.8°109.5°
C24C23C25110.7°109.5°
C24C23O2106.6°109.4°
C23C24H29109.5°109.5°
C23C24H27109.5°109.5°
C23C24H28109.5°109.5°
C25C23O2106.9°109.5°
C23C25H32109.5°109.5°
C23C25H30109.5°109.5°
C23C25H31109.5°109.5°
C23O2H33109.5°114.0°
H13C8H12109.4°109.4°
H5C1H6109.5°109.5°
H9C6H10109.5°109.7°
H2CH4109.5°109.5°
H2CH3109.4°109.5°
H4CH3109.5°109.5°
H16C11H15120.0°120.0°
H21C18H22109.5°109.5°
H23C19H24109.5°109.4°
H26C22H25109.5°109.4°
H29C24H27109.5°109.5°
H29C24H28109.5°109.4°
H27C24H28109.5°109.5°
H32C25H30109.5°109.5°
H32C25H31109.5°109.5°
H30C25H31109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CC1C2H5120.5°120.0°
CC1C2H6120.5°120.0°
CC1C2C386.7°95.0°
CC1C2C1285.6°85.0°
CC1H5H6118.4°120.0°
C1CH2H4120.0°120.0°
C1CH2H3120.0°120.0°
C1CH4H3120.0°120.0°
C1C2C3C12171.4°180.0°
C1C2C3C41.7°0.0°
C1C2C12C13160.3°115.0°
C1C2C12C1718.7°64.8°
C2C1H5H6118.5°120.0°
C1C2C3H7178.4°180.0°
C2C1CH2180.0°180.0°
C2C1CH460.0°60.1°
C2C1CH360.0°60.0°
C2C3C4H7180.0°180.0°
C2C3C4C5172.6°180.0°
C3C2C12C1312.1°65.0°
C3C2C12C17169.0°115.3°
C3C2C1H533.8°145.0°
C3C2C1H6152.8°25.0°
C2C3C4H87.4°0.0°
C3C4C5H8180.0°180.0°
C3C4C5C6179.5°180.0°
C3C4C5C1012.6°0.0°
C4C3C2C12173.0°180.0°
C4C5C6C10168.7°180.0°
C4C5C6C7148.8°133.4°
C4C5C10C9148.3°136.9°
C4C5C10C1138.9°43.1°
C4C5C6H990.5°106.9°
C4C5C6H1028.1°13.7°
C5C4C3H77.4°0.0°
C5C6C7H9120.7°119.7°
C5C6C7H10120.7°119.7°
C5C6C7O70.5°177.7°
C5C6C7C850.2°57.7°
C6C5C10C943.2°43.1°
C6C5C10C11129.6°136.9°
C5C6C7H169.3°62.4°
C5C6H9H10117.8°120.6°
C6C5C4H80.5°0.0°
C6C7OC8120.6°120.3°
C6C7OH119.6°119.8°
C6C7C8H119.1°120.1°
C6C7C8C959.2°66.2°
C7C6C5C1042.5°46.6°
C6C7C8H1360.8°173.7°
C6C7C8H12179.3°53.9°
C7C6H9H10117.8°120.5°
C6C7OH11180.0°59.7°
OC7C8H120.5°119.9°
OC7C8C961.2°173.8°
OC7C8H13178.7°53.7°
OC7C8H1258.9°66.1°
OC7C6H9168.8°58.0°
OC7C6H1050.2°62.6°
C7C8C9H13120.1°120.1°
C7C8C9H12120.1°120.1°
C7C8C9O1178.4°62.0°
C7C8C9C1059.7°57.7°
C7C8H13H12119.8°119.8°
C7C8C9H158.9°177.4°
C8C7C6H970.5°62.0°
C8C7C6H10170.9°177.4°
C8C7OH1159.4°180.0°
C8C9O1C10121.2°118.9°
C8C9O1H1118.6°120.6°
C8C9C10H1118.6°119.7°
C8C9C10C551.8°46.6°
C8C9C10C11121.3°133.4°
C9C8C7H178.3°53.9°
C9C8H13H12119.7°119.9°
C8C9O1H14180.0°180.0°
O1C9C10H1120.9°120.6°
O1C9C10C5172.4°73.1°
O1C9C10C110.7°106.9°
O1C9C8H1361.5°58.0°
O1C9C8H1258.3°177.9°
C9C10C5C11172.8°180.0°
C10C9C8H1360.4°177.7°
C10C9C8H12179.8°62.4°
C10C9O1H1458.8°61.1°
C9C10C11H16172.4°0.0°
C9C10C11H157.5°180.0°
C5C10C9H166.8°166.3°
C10C5C6H978.2°73.1°
C10C5C6H10163.2°166.3°
C10C5C4H8167.4°180.0°
C5C10C11H160.0°180.0°
C5C10C11H15180.0°0.0°
C11C10C9H1120.1°13.7°
C10C11H16H15180.0°180.0°
C2C12C13C17179.0°179.8°
C2C12C13C14179.9°180.0°
C2C12C17C16178.8°179.7°
C12C2C1H5153.8°35.0°
C12C2C1H634.8°155.0°
C12C2C3H77.0°0.0°
C2C12C13H170.1°0.0°
C2C12C17H201.2°0.0°
C12C13C14H17180.0°180.0°
C12C13C14C151.4°0.1°
C13C12C17C160.2°0.5°
C12C13C14C18177.2°180.0°
C13C12C17H20179.8°179.7°
C13C14C15C18178.6°179.9°
C13C14C15C160.8°0.0°
C14C13C12C170.9°0.2°
C13C14C18C1970.4°90.0°
C13C14C15H18179.2°180.0°
C13C14C18H2149.5°150.0°
C13C14C18H22169.7°29.9°
C14C15C16H18180.0°179.9°
C14C15C16C170.3°0.2°
C15C14C18C19111.0°90.1°
C15C14C13H17178.6°179.9°
C14C15C16H19179.7°180.0°
C15C14C18H21129.1°29.9°
C15C14C18H228.9°150.0°
C15C16C17H19180.0°179.7°
C15C16C17C120.8°0.5°
C16C15C14C18177.8°180.0°
C15C16C17H20179.2°179.7°
C16C17C12H20180.0°179.8°
C17C16C15H18179.7°179.7°
C17C12C13H17179.1°179.8°
C12C17C16H19179.2°179.7°
C14C18C19H21119.9°120.0°
C14C18C19H22119.9°120.0°
C14C18C19C2067.2°180.0°
C18C14C13H172.8°0.0°
C18C14C15H182.2°0.1°
C14C18H21H22120.3°120.0°
C14C18C19H2353.2°60.0°
C14C18C19H24172.4°60.0°
C18C19C20H23120.4°120.0°
C18C19C20H24120.4°120.0°
C18C19C20C21158.7°22.6°
C19C18H21H22120.3°120.0°
C18C19H23H24118.9°120.0°
C19C20C21C2211.8°104.0°
C20C19C18H21172.9°60.0°
C20C19C18H2252.8°60.1°
C20C19H23H24118.8°119.9°
C20C21C22C23107.8°53.4°
C21C20C19H2338.3°97.4°
C21C20C19H2480.9°142.6°
C20C21C22H26131.2°173.4°
C20C21C22H2513.2°66.7°
C21C22C23H26121.0°120.0°
C21C22C23H25121.0°120.0°
C21C22C23C24166.6°60.0°
C21C22C23C2570.2°180.0°
C21C22C23O248.9°60.0°
C21C22H26H25116.9°120.0°
C22C23C24C25123.6°120.0°
C22C23C24O2120.4°120.0°
C22C23C25O2121.6°120.0°
C23C22H26H25117.0°120.0°
C22C23C24H29180.0°60.0°
C22C23C24H2760.0°180.0°
C22C23C24H2860.0°60.0°
C22C23C25H32180.0°60.0°
C22C23C25H3060.0°179.9°
C22C23C25H3160.0°60.0°
C22C23O2H33180.0°60.0°
C24C23C25O2115.7°120.0°
C24C23C22H2645.7°60.0°
C24C23C22H2572.4°180.0°
C23C24H29H27120.0°120.0°
C23C24H29H28120.0°120.0°
C23C24H27H28120.0°120.0°
C24C23C25H3257.3°179.9°
C24C23C25H3062.7°59.9°
C24C23C25H31177.3°60.0°
C24C23O2H3360.3°180.0°
C25C23C22H26168.8°60.0°
C25C23C22H2550.8°60.0°
C25C23C24H2956.4°60.0°
C25C23C24H27176.4°60.0°
C25C23C24H2863.6°180.0°
C23C25H32H30120.0°120.0°
C23C25H32H31120.0°120.1°
C23C25H30H31120.0°120.0°
C25C23O2H3358.1°60.0°
O2C23C22H2672.0°180.0°
O2C23C22H25169.9°60.0°
O2C23C24H2959.6°180.0°
O2C23C24H2760.4°60.0°
O2C23C24H28179.6°60.0°
O2C23C25H3258.4°60.0°
O2C23C25H30178.4°60.0°
O2C23C25H3161.6°180.0°
HC7C8H1358.2°66.2°
HC7C8H1261.6°174.0°
HC7C6H948.6°177.9°
HC7C6H1070.0°57.3°
HC7OH1160.4°60.1°
H13C8C9H1179.0°62.6°
H12C8C9H161.2°57.3°
H1C9O1H1461.4°59.4°
H5C1CH259.5°60.0°
H5C1CH460.5°180.0°
H5C1CH3179.5°60.0°
H6C1CH259.5°60.0°
H6C1CH4179.5°60.0°
H6C1CH360.5°180.0°
H8C4C3H7172.6°180.0°
H2CH4H3119.9°120.0°
H18C15C16H190.3°0.1°
H19C16C17H200.8°0.0°
H21C18C19H2366.7°180.0°
H21C18C19H2452.6°60.0°
H22C18C19H23173.1°60.0°
H22C18C19H2467.6°180.0°
H29C24H27H28120.0°120.0°
H32C25H30H31120.0°120.0°

250835

PDB entries from 2026-03-18

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