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8KG

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O21C8sing1.43Å1.42Å
C8C5sing1.53Å1.53Å
C8C9sing1.53Å1.53Å
C5C6sing1.53Å1.53Å
C5C4sing1.53Å1.53Å
C6C1sing1.53Å1.54Å
C4C3sing1.53Å1.54Å
C9C7sing1.53Å1.53Å
C9C10sing1.53Å1.53Å
C7C1sing1.53Å1.53Å
C1C2sing1.53Å1.56Å
C10C3sing1.53Å1.54Å
C3C2sing1.53Å1.56Å
C2C11sing1.51Å1.57Å
C2C12sing1.53Å1.56Å
C13C11doub1.38Å1.39ÅAromatic
C13C14sing1.38Å1.39ÅAromatic
C11C17sing1.38Å1.40ÅAromatic
C14C15doub1.38Å1.38ÅAromatic
C17C16doub1.38Å1.39ÅAromatic
C15C16sing1.38Å1.38ÅAromatic
C12C18sing1.51Å1.51Å
C18O20doub1.21Å1.22Å
C18N19sing1.35Å1.35Å
N19C22sing1.48Å1.46Å
N19C24sing1.48Å1.46Å
C22C23sing1.54Å1.55Å
C24C23sing1.54Å1.56Å
C23O25sing1.43Å1.42Å
C13H41sing1.08Å1.08Å
C17H45sing1.08Å1.08Å
C16H44sing1.08Å1.08Å
C15H43sing1.08Å1.08Å
C22H48sing1.09Å1.10Å
C22H47sing1.09Å1.10Å
C23H49sing1.09Å1.10Å
C24H50sing1.09Å1.10Å
C24H51sing1.09Å1.10Å
C12H39sing1.09Å1.10Å
C12H40sing1.09Å1.10Å
C1H26sing1.09Å1.10Å
C3H27sing1.09Å1.10Å
C4H28sing1.09Å1.10Å
C4H29sing1.09Å1.10Å
C5H30sing1.09Å1.10Å
C6H32sing1.09Å1.10Å
C6H31sing1.09Å1.10Å
C7H33sing1.09Å1.10Å
C7H34sing1.09Å1.10Å
C8H35sing1.09Å1.10Å
C9H36sing1.09Å1.10Å
C10H38sing1.09Å1.10Å
C10H37sing1.09Å1.10Å
C14H42sing1.08Å1.08Å
O21H46sing0.97Å0.95Å
O25H52sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O21C8C5110.3°109.5°
O21C8C9110.8°109.5°
O21C8H35109.7°109.5°
C8O21H46109.5°114.0°
C5C8C9109.5°109.4°
C8C5C6109.5°109.5°
C8C5C4109.3°109.5°
C8C5H30109.7°109.5°
C5C8H35108.3°109.5°
C8C9C7109.7°109.5°
C8C9C10109.1°109.5°
C9C8H35108.2°109.4°
C8C9H36109.7°109.5°
C6C5C4109.1°109.5°
C5C6C1110.3°109.5°
C6C5H30109.6°109.4°
C5C6H32109.3°109.5°
C5C6H31109.2°109.5°
C5C4C3109.8°109.5°
C5C4H28109.4°109.5°
C5C4H29109.4°109.5°
C4C5H30109.6°109.4°
C6C1C7107.7°109.5°
C6C1C2110.8°109.5°
C6C1H26109.3°109.5°
C1C6H32109.3°109.4°
C1C6H31109.3°109.5°
C4C3C10107.9°109.5°
C4C3C2110.9°109.5°
C4C3H27109.1°109.4°
C3C4H28109.4°109.5°
C3C4H29109.4°109.4°
C7C9C10108.9°109.5°
C9C7C1110.3°109.4°
C9C7H33109.2°109.5°
C9C7H34109.3°109.5°
C7C9H36109.7°109.4°
C9C10C3110.1°109.5°
C10C9H36109.7°109.5°
C9C10H38109.3°109.5°
C9C10H37109.3°109.4°
C7C1C2110.9°109.4°
C7C1H26109.3°109.5°
C1C7H33109.3°109.4°
C1C7H34109.2°109.5°
C1C2C3105.8°109.5°
C1C2C11112.4°109.5°
C1C2C12110.4°109.5°
C2C1H26109.0°109.5°
C10C3C2110.9°109.5°
C10C3H27109.2°109.5°
C3C10H38109.3°109.5°
C3C10H37109.3°109.5°
C3C2C11111.8°109.5°
C3C2C12112.6°109.5°
C2C3H27108.8°109.4°
C11C2C12104.0°109.5°
C2C11C13121.0°120.0°
C2C11C17121.0°120.0°
C2C12C18116.4°109.5°
C2C12H39107.7°109.5°
C2C12H40107.7°109.5°
C11C13C14120.9°120.0°
C13C11C17117.8°120.0°
C11C13H41119.6°120.0°
C13C14C15120.3°120.0°
C14C13H41119.5°120.1°
C13C14H42119.8°120.0°
C11C17C16121.0°120.0°
C11C17H45119.4°120.0°
C14C15C16119.7°120.0°
C14C15H43120.2°120.0°
C15C14H42119.8°120.0°
C17C16C15120.2°120.0°
C16C17H45119.5°120.0°
C17C16H44119.9°120.0°
C15C16H44119.9°120.0°
C16C15H43120.2°120.1°
C12C18O20119.7°120.0°
C12C18N19118.4°120.0°
C18C12H39107.7°109.4°
C18C12H40107.7°109.4°
O20C18N19121.9°120.0°
C18N19C22133.7°134.5°
C18N19C24131.8°134.5°
C22N19C2494.4°91.0°
N19C22C2387.7°86.1°
N19C22H48114.6°113.8°
N19C22H47114.6°113.9°
N19C24C2387.6°86.1°
N19C24H50114.6°113.8°
N19C24H51114.6°113.9°
C22C23C2487.3°86.3°
C22C23O25113.4°113.7°
C23C22H48114.6°113.8°
C23C22H47114.6°113.8°
C22C23H49113.8°113.7°
C24C23O25108.8°113.8°
C24C23H49113.8°113.8°
C23C24H50114.6°113.8°
C23C24H51114.6°113.8°
O25C23H49116.2°113.0°
C23O25H52109.5°114.0°
H48C22H47109.5°113.0°
H50C24H51109.5°112.9°
H39C12H40109.4°109.5°
H28C4H29109.5°109.5°
H32C6H31109.5°109.5°
H33C7H34109.5°109.5°
H38C10H37109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O21C8C5C9122.2°120.0°
O21C8C5H35120.0°120.1°
O21C8C9H35120.3°120.0°
O21C8C5C663.0°60.0°
O21C8C5C4177.5°180.0°
O21C8C9C762.8°60.0°
O21C8C9C10178.0°180.0°
O21C8C5H3057.3°60.0°
O21C8C9H3657.8°59.9°
C5C8C9H35117.8°120.0°
C8C5C6C4119.5°120.0°
C8C5C6H30120.4°120.0°
C8C5C4H30120.3°120.0°
C8C5C6C160.6°60.0°
C8C5C4C360.7°60.0°
C5C8C9C759.1°60.1°
C5C8C9C1060.2°60.0°
C8C5C4H28179.2°60.0°
C8C5C4H2959.3°180.0°
C8C5C6H3259.5°180.0°
C8C5C6H31179.3°60.0°
C5C8C9H36179.6°180.0°
C5C8O21H46180.0°180.0°
C9C8C5C659.1°60.1°
C9C8C5C460.3°60.0°
C8C9C7C10119.3°120.1°
C8C9C7H36120.6°119.9°
C8C9C10H36120.2°120.0°
C8C9C7C160.4°60.0°
C8C9C10C360.8°60.0°
C9C8C5H30179.5°180.0°
C8C9C7H33179.5°59.9°
C8C9C7H3459.7°180.0°
C8C9C10H3859.2°180.0°
C8C9C10H37179.1°60.0°
C9C8O21H4658.6°60.0°
C6C5C4H30120.1°120.0°
C5C6C1H32120.1°120.0°
C5C6C1H31120.1°120.0°
C6C5C4C358.9°60.0°
C5C6C1C760.3°60.0°
C5C6C1C261.1°60.0°
C5C6C1H26178.9°180.0°
C6C5C4H2861.1°180.0°
C6C5C4H29178.9°59.9°
C5C6H32H31119.6°120.0°
C6C5C8H35177.0°180.0°
C4C5C6C158.9°60.0°
C5C4C3H28120.0°120.0°
C5C4C3H29120.1°120.0°
C5C4C3C1060.2°60.0°
C5C4C3C261.5°60.0°
C5C4C3H27178.7°180.0°
C5C4H28H29119.9°120.0°
C4C5C6H32179.0°60.0°
C4C5C6H3161.2°180.0°
C4C5C8H3557.6°59.9°
C6C1C7C960.2°60.0°
C6C1C7C2121.3°120.0°
C6C1C7H26118.6°120.0°
C6C1C2H26120.2°120.0°
C6C1C2C359.9°60.0°
C6C1C2C1162.3°60.0°
C6C1C2C12178.0°180.0°
C1C6C5H30179.0°180.0°
C1C6H32H31119.7°120.0°
C6C1C7H33179.7°60.0°
C6C1C7H3460.0°180.0°
C4C3C10C960.4°60.0°
C4C3C2C160.2°60.0°
C4C3C10C2121.7°120.0°
C4C3C10H27118.4°120.0°
C4C3C2H27120.0°120.0°
C4C3C2C1162.4°60.0°
C4C3C2C12179.1°180.0°
C3C4H28H29119.8°120.0°
C3C4C5H30179.0°180.0°
C4C3C10H3859.7°180.0°
C4C3C10H37179.5°60.0°
C7C9C10H36120.1°119.9°
C9C7C1H33120.1°120.0°
C9C7C1H34120.1°120.0°
C9C7C1C261.2°60.0°
C7C9C10C358.9°60.1°
C9C7C1H26178.7°180.0°
C9C7H33H34119.6°120.1°
C7C9C8H35176.9°180.0°
C7C9C10H38179.0°60.0°
C7C9C10H3761.2°180.0°
C10C9C7C158.9°60.1°
C9C10C3H38120.1°120.0°
C9C10C3H37120.1°119.9°
C9C10C3C261.3°60.1°
C9C10C3H27178.8°180.0°
C10C9C7H3361.2°180.0°
C10C9C7H34179.1°59.9°
C10C9C8H3557.7°60.0°
C9C10H38H37119.7°120.0°
C7C1C2H26120.3°120.0°
C7C1C2C359.6°60.0°
C7C1C2C11178.2°180.0°
C7C1C2C1262.6°60.0°
C7C1C6H3259.8°180.0°
C7C1C6H31179.6°60.0°
C1C7H33H34119.6°120.0°
C1C7C9H36179.0°179.9°
C1C2C3C1059.7°60.0°
C1C2C3C11122.6°120.0°
C1C2C3C12120.7°120.0°
C1C2C11C12119.4°120.0°
C1C2C11C1329.0°50.4°
C1C2C11C17156.3°129.6°
C1C2C12C18175.4°179.2°
C1C2C12H3963.5°59.2°
C1C2C12H4054.4°60.9°
C1C2C3H27179.8°180.0°
C2C1C6H32178.8°60.0°
C2C1C6H3159.0°180.0°
C2C1C7H3359.0°180.0°
C2C1C7H34178.7°60.0°
C10C3C2H27120.1°120.0°
C10C3C2C11177.7°180.0°
C10C3C2C1261.0°60.0°
C10C3C4H28179.8°60.0°
C10C3C4H2959.9°180.0°
C3C10C9H36179.0°180.0°
C3C10H38H37119.7°120.0°
C3C2C11C12121.8°120.0°
C3C2C11C13147.8°170.3°
C3C2C11C1737.5°9.6°
C3C2C12C1866.5°60.8°
C3C2C12H3954.5°179.2°
C3C2C12H40172.5°59.1°
C3C2C1H26179.9°180.0°
C2C3C4H2858.6°180.0°
C2C3C4H29178.4°60.0°
C2C3C10H38178.7°60.0°
C2C3C10H3758.9°180.0°
C2C11C13C17174.9°179.9°
C2C11C13C14173.9°180.0°
C2C11C17C16173.6°180.0°
C11C2C12C1854.7°59.2°
C2C11C13H416.1°0.4°
C2C11C17H456.4°0.1°
C11C2C12H39175.7°60.8°
C11C2C12H4066.4°179.1°
C11C2C1H2657.9°60.0°
C11C2C3H2757.6°60.0°
C12C2C11C1390.5°69.6°
C12C2C11C1784.3°110.5°
C2C12C18H39121.0°120.0°
C2C12C18H40121.0°120.0°
C2C12C18O2075.3°5.9°
C2C12C18N19104.4°174.1°
C2C12H39H40116.9°120.1°
C12C2C1H2657.8°60.0°
C12C2C3H2759.1°60.0°
C11C13C14H41180.0°179.6°
C11C13C14C150.0°0.1°
C13C11C17C161.3°0.1°
C13C11C17H45178.7°180.0°
C11C13C14H42180.0°179.9°
C14C13C11C171.0°0.1°
C13C14C15H42180.0°180.0°
C13C14C15C160.6°0.1°
C13C14C15H43179.4°180.0°
C11C17C16H45180.0°179.9°
C11C17C16C150.7°0.1°
C17C11C13H41179.0°179.7°
C11C17C16H44179.3°180.0°
C14C15C16C170.3°0.1°
C14C15C16H43180.0°179.9°
C15C14C13H41180.0°179.7°
C14C15C16H44179.7°180.0°
C17C16C15H44180.0°179.9°
C17C16C15H43179.7°180.0°
C15C16C17H45179.4°180.0°
C16C15C14H42179.4°179.9°
C12C18O20N19179.7°180.0°
C12C18N19C222.9°180.0°
C12C18N19C24173.5°0.0°
C18C12H39H40116.9°119.9°
O20C18N19C22177.3°0.0°
O20C18N19C246.2°180.0°
O20C18C12H3945.7°114.1°
O20C18C12H40163.7°125.9°
C18N19C22C24177.3°180.0°
C18N19C22C23163.9°155.4°
C18N19C24C23164.0°155.4°
C18N19C22H4880.0°41.1°
C18N19C22H4747.8°90.3°
C18N19C24H5047.9°90.4°
C18N19C24H5179.9°41.0°
N19C18C12H39134.5°65.9°
N19C18C12H4016.6°54.0°
N19C22C23H48116.1°114.3°
N19C22C23H47116.1°114.4°
C22N19C24C2313.4°24.6°
N19C22C23O25121.9°137.9°
N19C22H48H47130.4°131.8°
N19C22C23H49102.3°90.8°
C22N19C24H50129.5°89.6°
C22N19C24H51102.6°139.0°
N19C24C23H50116.1°114.3°
N19C24C23H51116.1°114.5°
N19C24C23O25126.4°137.9°
C24N19C22H48102.6°138.9°
C24N19C22H47129.5°89.7°
N19C24C23H49102.3°90.7°
N19C24H50H51130.4°131.8°
C22C23C24O25113.8°114.3°
C22C23C24H49114.9°114.3°
C22C23O25H49134.7°131.6°
C23C22H48H47130.4°131.7°
C22C23C24H50128.7°90.7°
C22C23C24H51103.5°138.1°
C22C23O25H52180.0°180.0°
C24C23O25H49130.0°131.7°
C24C23C22H48103.5°137.9°
C24C23C22H47128.7°90.8°
C23C24H50H51130.4°131.7°
C24C23O25H5284.7°83.3°
O25C23C22H485.8°107.8°
O25C23C22H47122.0°23.5°
O25C23C24H50117.5°23.6°
O25C23C24H5110.3°107.6°
H41C13C14H420.0°0.3°
H45C17C16H440.7°0.1°
H44C16C15H430.3°0.1°
H43C15C14H420.7°0.0°
H48C22C23H49141.6°23.5°
H47C22C23H4913.8°154.8°
H49C23C24H5013.8°155.0°
H49C23C24H51141.6°23.7°
H49C23O25H5245.3°48.4°
H26C1C6H3258.8°60.0°
H26C1C6H3161.0°60.0°
H26C1C7H3361.2°60.0°
H26C1C7H3458.6°60.0°
H27C3C4H2861.3°60.0°
H27C3C4H2958.6°60.0°
H27C3C10H3858.7°60.0°
H27C3C10H3761.1°60.0°
H28C4C5H3058.9°60.0°
H29C4C5H3061.0°60.0°
H30C5C6H3260.9°60.0°
H30C5C6H3158.9°60.0°
H30C5C8H3562.7°60.0°
H33C7C9H3658.9°60.0°
H34C7C9H3660.9°60.1°
H35C8C9H3662.5°60.1°
H35C8O21H4660.9°59.9°
H36C9C10H3861.0°59.9°
H36C9C10H3758.9°60.1°

222036

PDB entries from 2024-07-03

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