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87K

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C6C7sing1.53Å1.56Å
C6C5sing1.53Å1.49Å
C7C8sing1.53Å1.52Å
C5C4sing1.53Å1.52Å
C8C9sing1.53Å1.50Å
C4C3sing1.53Å1.49Å
C9C10sing1.53Å1.51Å
C10C11sing1.53Å1.50Å
C3C2sing1.53Å1.52Å
C2C1sing1.51Å1.51Å
C21C20sing1.53Å1.74Å
C11C12sing1.53Å1.52Å
C1O1doub1.21Å1.24Å
C1O2sing1.34Å1.27Å
C20C19sing1.53Å1.57Å
C12C13sing1.53Å1.53Å
C13C14sing1.53Å1.54Å
C19C18sing1.53Å1.56Å
C17C18sing1.53Å1.43Å
C17C16sing1.53Å1.50Å
C14C15sing1.53Å1.52Å
C16C15sing1.53Å1.53Å
C6H1sing1.09Å1.10Å
C6H2sing1.09Å1.10Å
C4H3sing1.09Å1.10Å
C4H4sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
C2H6sing1.09Å1.10Å
O2H7sing0.97Å0.95Å
C5H8sing1.09Å1.10Å
C5H9sing1.09Å1.10Å
C7H10sing1.09Å1.10Å
C8H11sing1.09Å1.10Å
C9H12sing1.09Å1.10Å
C9H13sing1.09Å1.10Å
C10H14sing1.09Å1.10Å
C10H15sing1.09Å1.10Å
C11H16sing1.09Å1.10Å
C11H17sing1.09Å1.10Å
C12H18sing1.09Å1.10Å
C12H19sing1.09Å1.10Å
C13H20sing1.09Å1.10Å
C13H21sing1.09Å1.10Å
C14H22sing1.09Å1.10Å
C14H23sing1.09Å1.10Å
C15H24sing1.09Å1.10Å
C15H25sing1.09Å1.10Å
C16H26sing1.09Å1.10Å
C16H27sing1.09Å1.10Å
C17H28sing1.09Å1.10Å
C17H29sing1.09Å1.10Å
C18H30sing1.09Å1.10Å
C18H31sing1.09Å1.10Å
C19H32sing1.09Å1.10Å
C19H33sing1.09Å1.10Å
C20H34sing1.09Å1.10Å
C20H35sing1.09Å1.10Å
C21H36sing1.09Å1.10Å
C21H37sing1.09Å1.10Å
C21H38sing1.09Å1.10Å
C3H39sing1.09Å1.10Å
C2H40sing1.09Å1.10Å
C7H41sing1.09Å1.10Å
C8H42sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C7C6C5127.6°109.5°
C6C7C8115.3°109.5°
C7C6H1104.8°109.4°
C7C6H2104.8°109.5°
C6C7H10108.0°109.4°
C6C7H41108.0°109.5°
C6C5C4116.5°109.4°
C5C6H1104.8°109.5°
C5C6H2104.8°109.5°
C6C5H8107.7°109.5°
C6C5H9107.7°109.5°
C7C8C9115.4°109.5°
C8C7H10108.0°109.5°
C7C8H11108.0°109.5°
C8C7H41108.0°109.5°
C7C8H42108.0°109.5°
C5C4C3113.4°109.5°
C5C4H3108.5°109.5°
C5C4H4108.5°109.5°
C4C5H8107.7°109.5°
C4C5H9107.7°109.5°
C8C9C10107.3°109.5°
C9C8H11108.0°109.5°
C8C9H12110.0°109.5°
C8C9H13110.0°109.4°
C9C8H42108.0°109.5°
C4C3C2117.2°109.5°
C3C4H3108.5°109.5°
C3C4H4108.5°109.5°
C4C3H5107.5°109.5°
C4C3H39107.5°109.5°
C9C10C11104.0°109.5°
C10C9H12110.0°109.5°
C10C9H13110.0°109.5°
C9C10H14110.8°109.5°
C9C10H15110.8°109.5°
C10C11C12115.0°109.4°
C11C10H14110.8°109.5°
C11C10H15110.8°109.5°
C10C11H16108.1°109.5°
C10C11H17108.1°109.5°
C3C2C1118.7°109.4°
C2C3H5107.5°109.5°
C3C2H6107.1°109.5°
C2C3H39107.5°109.5°
C3C2H40107.1°109.5°
C2C1O1118.7°120.1°
C2C1O2117.8°120.0°
C1C2H6107.1°109.5°
C1C2H40107.1°109.5°
C21C20C19113.7°109.5°
C21C20H34108.4°109.4°
C21C20H35108.4°109.5°
C20C21H36109.5°109.4°
C20C21H37109.5°109.5°
C20C21H38109.5°109.5°
C11C12C13104.7°109.5°
C12C11H16108.1°109.5°
C12C11H17108.0°109.5°
C11C12H18110.7°109.5°
C11C12H19110.7°109.5°
O1C1O2123.4°120.0°
C1O2H7109.5°117.0°
C20C19C18126.5°109.5°
C20C19H32105.1°109.4°
C20C19H33105.1°109.4°
C19C20H34108.4°109.5°
C19C20H35108.4°109.5°
C12C13C14115.1°109.5°
C13C12H18110.7°109.4°
C13C12H19110.7°109.5°
C12C13H20108.1°109.4°
C12C13H21108.0°109.5°
C13C14C15122.2°109.5°
C14C13H20108.0°109.5°
C14C13H21108.1°109.5°
C13C14H22106.2°109.5°
C13C14H23106.2°109.5°
C19C18C17103.4°109.4°
C19C18H30111.0°109.5°
C19C18H31111.0°109.5°
C18C19H32105.1°109.5°
C18C19H33105.1°109.5°
C18C17C16111.1°109.4°
C18C17H28109.1°109.5°
C18C17H29109.1°109.5°
C17C18H30110.9°109.5°
C17C18H31111.0°109.5°
C17C16C15113.4°109.5°
C17C16H26108.5°109.5°
C17C16H27108.5°109.5°
C16C17H28109.1°109.5°
C16C17H29109.0°109.5°
C14C15C16107.3°109.5°
C15C14H22106.2°109.5°
C15C14H23106.2°109.4°
C14C15H24110.0°109.5°
C14C15H25110.0°109.4°
C16C15H24110.0°109.5°
C16C15H25110.0°109.5°
C15C16H26108.5°109.5°
C15C16H27108.5°109.5°
H1C6H2109.5°109.5°
H3C4H4109.4°109.5°
H5C3H39109.5°109.5°
H6C2H40109.5°109.5°
H8C5H9109.5°109.5°
H10C7H41109.5°109.5°
H11C8H42109.4°109.4°
H12C9H13109.5°109.4°
H14C10H15109.5°109.5°
H16C11H17109.5°109.5°
H18C12H19109.4°109.5°
H20C13H21109.5°109.5°
H22C14H23109.5°109.5°
H24C15H25109.5°109.4°
H26C16H27109.5°109.5°
H28C17H29109.5°109.5°
H30C18H31109.4°109.5°
H32C19H33109.5°109.5°
H34C20H35109.5°109.5°
H36C21H37109.4°109.5°
H36C21H38109.5°109.4°
H37C21H38109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C7C6C5H1122.4°119.9°
C7C6C5H2122.4°120.0°
C6C7C8H10120.9°120.0°
C6C7C8H41120.9°120.0°
C7C6C5C447.4°180.0°
C6C7C8C9171.3°180.0°
C7C6H1H2111.9°120.0°
C7C6C5H873.7°60.0°
C7C6C5H9168.4°60.1°
C6C7H10H41117.3°120.0°
C6C7C8H1167.8°60.0°
C6C7C8H4250.4°59.9°
C5C6C7C856.9°180.0°
C6C5C4H8121.0°120.0°
C6C5C4H9121.0°120.0°
C6C5C4C3169.8°180.0°
C5C6H1H2111.9°120.0°
C6C5C4H369.6°60.0°
C6C5C4H449.2°60.0°
C6C5H8H9116.9°120.0°
C5C6C7H1064.0°60.0°
C5C6C7H41177.7°60.0°
C7C8C9H11120.9°120.0°
C7C8C9H42120.9°120.1°
C7C8C9C10150.9°180.0°
C8C7C6H165.5°60.1°
C8C7C6H2179.3°60.0°
C8C7H10H41117.3°120.0°
C7C8H11H42117.3°120.0°
C7C8C9H1289.5°60.0°
C7C8C9H1331.2°60.0°
C5C4C3H3120.6°120.0°
C5C4C3H4120.6°120.0°
C5C4C3C2177.3°180.0°
C4C5C6H1169.8°60.0°
C4C5C6H275.0°60.0°
C5C4H3H4118.2°120.0°
C5C4C3H556.3°60.0°
C4C5H8H9116.8°120.0°
C5C4C3H3961.6°60.0°
C8C9C10H12119.7°120.1°
C8C9C10H13119.7°120.0°
C8C9C10C11105.2°180.0°
C9C8C7H1050.4°60.0°
C9C8H11H42117.3°119.9°
C8C9H12H13121.0°119.9°
C8C9C10H14135.6°60.0°
C8C9C10H1513.9°60.0°
C9C8C7H4167.9°60.0°
C4C3C2H5121.1°120.0°
C4C3C2H39121.1°120.0°
C4C3C2C1169.5°180.0°
C3C4H3H4118.2°120.0°
C4C3H5H39116.6°120.0°
C4C3C2H648.2°60.0°
C3C4C5H848.7°60.0°
C3C4C5H969.2°60.0°
C4C3C2H4069.2°60.0°
C9C10C11H14119.1°120.0°
C9C10C11H15119.1°120.0°
C9C10C11C1288.4°180.0°
C10C9C8H1130.0°59.9°
C10C9H12H13121.0°120.0°
C9C10H14H15122.5°120.0°
C9C10C11H1632.4°60.0°
C9C10C11H17150.8°60.0°
C10C9C8H4288.2°60.0°
C10C11C12H16120.8°120.0°
C10C11C12H17120.8°120.0°
C10C11C12C13151.0°180.0°
C11C10C9H1214.4°59.9°
C11C10C9H13135.1°60.0°
C11C10H14H15122.5°120.0°
C10C11H16H17117.5°120.0°
C10C11C12H1889.7°60.0°
C10C11C12H1931.8°60.0°
C3C2C1H6121.3°120.0°
C3C2C1H40121.3°120.0°
C3C2C1O17.8°0.0°
C3C2C1O2169.7°180.0°
C2C3C4H362.1°60.0°
C2C3C4H456.7°60.0°
C2C3H5H39116.5°120.0°
C3C2H6H40115.8°120.0°
C2C1O1O2177.3°180.0°
C1C2C3H569.4°60.0°
C1C2H6H40115.8°120.0°
C2C1O2H7177.3°180.0°
C1C2C3H3948.4°60.0°
C21C20C19H34120.6°120.0°
C21C20C19H35120.6°120.0°
C21C20C19C18157.4°180.0°
C21C20C19H3280.3°60.0°
C21C20C19H3335.2°59.9°
C21C20H34H35118.1°120.0°
C20C21H36H37120.0°120.0°
C20C21H36H38120.0°119.9°
C20C21H37H38120.0°120.0°
C11C12C13H18119.3°119.9°
C11C12C13H19119.3°120.0°
C11C12C13C14109.6°180.0°
C12C11C10H14152.4°60.0°
C12C11C10H1530.7°60.0°
C12C11H16H17117.4°120.0°
C11C12H18H19122.2°120.0°
C11C12C13H20129.6°60.0°
C11C12C13H2111.2°60.0°
O1C1C2H6113.5°120.0°
O1C1O2H70.0°0.0°
O1C1C2H40129.1°120.0°
O2C1C2H669.0°60.0°
O2C1C2H4048.4°60.1°
C20C19C18H32122.3°120.0°
C20C19C18H33122.2°120.0°
C20C19C18C1781.3°180.0°
C20C19C18H30159.7°60.0°
C20C19C18H3137.8°60.0°
C20C19H32H33112.4°119.9°
C19C20H34H35118.1°120.0°
C19C20C21H36180.0°60.1°
C19C20C21H3760.0°60.0°
C19C20C21H3860.0°180.0°
C12C13C14H20120.8°120.0°
C12C13C14H21120.8°120.0°
C12C13C14C15130.5°180.0°
C13C12C11H1630.2°60.1°
C13C12C11H1788.2°60.0°
C13C12H18H19122.2°120.0°
C12C13H20H21117.4°120.0°
C12C13C14H22107.7°60.0°
C12C13C14H238.7°60.0°
C13C14C15H22121.8°120.0°
C13C14C15H23121.8°120.0°
C13C14C15C1611.2°180.0°
C14C13C12H189.7°60.1°
C14C13C12H19131.1°60.0°
C14C13H20H21117.4°120.0°
C13C14H22H23114.2°120.0°
C13C14C15H24108.5°60.0°
C13C14C15H25130.9°60.0°
C19C18C17H30119.1°120.0°
C19C18C17H31119.0°120.0°
C19C18C17C16175.6°180.0°
C19C18C17H2855.4°60.0°
C19C18C17H2964.1°60.0°
C19C18H30H31122.8°120.0°
C18C19H32H33112.4°120.1°
C18C19C20H3436.8°60.0°
C18C19C20H3582.0°60.0°
C18C17C16H28120.3°120.0°
C18C17C16H29120.2°120.0°
C18C17C16C15116.1°180.0°
C18C17C16H264.5°60.0°
C18C17C16H27123.3°60.0°
C18C17H28H29119.2°120.0°
C17C18H30H31122.8°120.0°
C17C18C19H3241.0°60.0°
C17C18C19H33156.5°60.0°
C17C16C15C1449.5°180.0°
C17C16C15H26120.6°120.0°
C17C16C15H27120.6°120.0°
C17C16C15H24169.2°59.9°
C17C16C15H2570.2°60.0°
C17C16H26H27118.2°120.0°
C16C17H28H29119.2°120.0°
C16C17C18H3065.3°60.0°
C16C17C18H3156.6°60.0°
C14C15C16H24119.7°120.1°
C14C15C16H25119.7°120.0°
C15C14C13H209.6°60.0°
C15C14C13H21108.7°60.0°
C15C14H22H23114.3°119.9°
C14C15H24H25121.0°119.9°
C14C15C16H26170.1°60.0°
C14C15C16H2771.1°60.0°
C16C15C14H22133.0°59.9°
C16C15C14H23110.6°60.0°
C16C15H24H25121.0°120.0°
C15C16H26H27118.2°120.0°
C15C16C17H28123.6°60.0°
C15C16C17H294.1°60.0°
H1C6C5H848.7°60.0°
H1C6C5H969.2°180.0°
H1C6C7H10173.6°180.0°
H1C6C7H4155.3°60.0°
H2C6C5H8164.0°180.0°
H2C6C5H946.0°60.0°
H2C6C7H1058.4°60.0°
H2C6C7H4159.9°180.0°
H3C4C3H5176.9°60.0°
H3C4C5H8169.3°60.0°
H3C4C5H951.4°180.0°
H3C4C3H3959.0°180.0°
H4C4C3H564.3°180.0°
H4C4C5H871.9°180.0°
H4C4C5H9170.2°60.0°
H4C4C3H39177.8°60.0°
H5C3C2H6169.3°180.0°
H5C3C2H4051.9°60.0°
H6C2C3H3972.9°60.0°
H10C7C8H11171.3°180.0°
H10C7C8H4270.5°60.1°
H11C8C9H12149.6°180.0°
H11C8C9H1389.6°60.0°
H11C8C7H4153.0°60.0°
H12C9C10H14104.7°180.0°
H12C9C10H15133.5°60.1°
H12C9C8H4231.4°60.1°
H13C9C10H1416.0°60.0°
H13C9C10H15105.8°180.0°
H13C9C8H42152.1°180.0°
H14C10C11H1686.7°180.0°
H14C10C11H1731.6°60.0°
H15C10C11H16151.5°60.0°
H15C10C11H1790.1°NaN°
H16C11C12H18149.4°180.0°
H16C11C12H1989.1°60.0°
H17C11C12H1831.1°60.0°
H17C11C12H19152.6°180.0°
H18C12C13H20111.2°180.0°
H18C12C13H21130.5°60.0°
H19C12C13H2010.3°60.0°
H19C12C13H21108.0°NaN°
H20C13C14H22131.4°180.0°
H20C13C14H23112.1°60.0°
H21C13C14H2213.1°60.0°
H21C13C14H23129.6°180.0°
H22C14C15H2413.3°180.0°
H22C14C15H25107.4°60.0°
H23C14C15H24129.8°60.1°
H23C14C15H259.1°180.0°
H24C15C16H2670.2°180.0°
H24C15C16H2748.6°60.1°
H25C15C16H2650.4°60.0°
H25C15C16H27169.3°NaN°
H26C16C17H28115.8°180.0°
H26C16C17H29124.7°60.0°
H27C16C17H283.1°60.0°
H27C16C17H29116.4°180.0°
H28C17C18H30174.4°180.0°
H28C17C18H3163.7°60.0°
H29C17C18H3054.9°60.0°
H29C17C18H31176.8°NaN°
H30C18C19H3278.0°180.0°
H30C18C19H3337.5°60.0°
H31C18C19H32160.1°60.0°
H31C18C19H3384.4°180.0°
H32C19C20H34159.1°180.0°
H32C19C20H3540.3°60.1°
H33C19C20H3485.4°60.1°
H33C19C20H35155.8°180.0°
H34C20C21H3659.4°180.0°
H34C20C21H3760.6°60.0°
H34C20C21H38179.4°60.0°
H35C20C21H3659.4°60.0°
H35C20C21H37179.3°180.0°
H35C20C21H3860.7°59.9°
H36C21H37H38120.0°120.0°
H39C3C2H40169.7°180.0°
H41C7C8H42171.3°180.0°

223532

PDB entries from 2024-08-07

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