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518

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C6doub1.39Å1.39ÅAromatic
C1C2sing1.39Å1.39ÅAromatic
C2C3doub1.38Å1.37ÅAromatic
C2H2sing1.08Å1.08Å
C3C4sing1.40Å1.39ÅAromatic
C3H3sing1.08Å1.08Å
C4C7sing1.48Å1.48ÅAromatic
C5C4doub1.40Å1.39ÅAromatic
C5H5sing1.08Å1.08Å
C6C5sing1.38Å1.38ÅAromatic
C6H6sing1.08Å1.08Å
C7C8doub1.37Å1.37ÅAromatic
C7O11sing1.34Å1.33ÅAromatic
C8C9sing1.40Å1.40ÅAromatic
C8H8sing1.08Å1.08Å
C9C10doub1.38Å1.37ÅAromatic
C9H9sing1.08Å1.08Å
C10C12sing1.46Å1.45Å
O11C10sing1.35Å1.35ÅAromatic
C12O13doub1.22Å1.22Å
N14C12sing1.35Å1.34Å
N14C15sing1.47Å1.45Å
N14HN14sing0.97Å1.00Å
C15H15sing1.09Å1.10Å
C16C15sing1.51Å1.51Å
C16N18sing1.35Å1.35Å
C17C15sing1.53Å1.53Å
C17C26sing1.53Å1.53Å
C17H17sing1.09Å1.10Å
O19C16doub1.21Å1.22Å
N20C1sing1.39Å1.40Å
N20HN20sing0.97Å1.00Å
C21N18sing1.47Å1.46Å
C21H21sing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
C22C17sing1.53Å1.53Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
C23C22sing1.53Å1.53Å
C23C24sing1.53Å1.54Å
C23H23sing1.09Å1.10Å
C23H23Asing1.09Å1.10Å
C24C25sing1.53Å1.54Å
C24H24sing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
C25C26sing1.53Å1.53Å
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C27N20sing1.35Å1.34Å
C27O29doub1.22Å1.21Å
C28C27sing1.47Å1.48Å
O30C28sing1.35Å1.35ÅAromatic
C31C28doub1.36Å1.36ÅAromatic
C31H31sing1.08Å1.08Å
C32C31sing1.46Å1.47ÅAromatic
C33O30sing1.35Å1.35ÅAromatic
C33C32sing1.41Å1.41ÅAromatic
C34C33doub1.39Å1.39ÅAromatic
C34H34sing1.08Å1.08Å
C35C34sing1.38Å1.38ÅAromatic
C35C36doub1.39Å1.39ÅAromatic
C35H35sing1.08Å1.08Å
C36C37sing1.37Å1.37ÅAromatic
C36H36sing1.08Å1.08Å
C37C32doub1.40Å1.41ÅAromatic
C37H37sing1.08Å1.08Å
N18H28sing0.97Å1.00Å
C21H29sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C6C1C2119.4°120.1°
C1C6C5120.2°120.1°
C1C6H6119.9°120.0°
C6C1N20122.3°120.0°
C1C2C3120.4°120.1°
C1C2H2119.8°120.0°
C2C1N20118.3°119.9°
C3C2H2119.8°120.0°
C2C3C4120.6°119.9°
C2C3H3119.7°120.0°
C4C3H3119.7°120.0°
C3C4C7119.5°120.1°
C3C4C5119.2°119.8°
C7C4C5121.2°120.1°
C4C7C8125.0°125.6°
C4C7O11127.3°125.7°
C4C5H5119.9°120.0°
C4C5C6120.2°119.9°
H5C5C6119.9°120.1°
C5C6H6119.9°119.9°
C8C7O11107.7°108.7°
C7C8C9108.2°107.1°
C7C8H8125.9°126.5°
C7O11C10109.5°109.3°
C9C8H8125.9°126.4°
C8C9C10105.2°106.8°
C8C9H9127.4°126.6°
C10C9H9127.4°126.6°
C9C10C12129.0°126.0°
C9C10O11109.4°108.1°
C12C10O11121.6°126.0°
C10C12O13123.3°120.0°
C10C12N14111.3°120.0°
O13C12N14125.4°120.0°
C12N14C15128.6°120.0°
C12N14HN14115.7°120.0°
C15N14HN14115.7°120.0°
N14C15H15120.3°109.4°
N14C15C16100.4°109.4°
N14C15C17103.1°109.5°
H15C15C16110.8°109.4°
H15C15C17108.4°109.5°
C15C16N18120.7°120.0°
C16C15C17113.7°109.5°
C15C16O19120.6°120.0°
N18C16O19118.7°120.0°
C16N18C21120.0°120.0°
C16N18H28120.0°119.9°
C15C17C26113.0°109.5°
C15C17H17103.1°109.4°
C15C17C22114.1°109.4°
C26C17H17109.8°109.5°
C26C17C22107.9°109.5°
C17C26C25105.5°109.5°
C17C26H26110.8°109.5°
C17C26H26A110.8°109.5°
H17C17C22108.7°109.5°
C1N20HN20116.6°120.0°
C1N20C27126.8°120.0°
HN20N20C27116.6°120.0°
N18C21H21109.5°109.5°
N18C21H21A109.5°109.4°
C21N18H28120.0°120.1°
N18C21H29109.5°109.5°
H21C21H21A109.4°109.5°
H21C21H29109.5°109.5°
H21AC21H29109.5°109.5°
C17C22H22110.7°109.5°
C17C22H22A110.7°109.5°
C17C22C23105.9°109.5°
H22C22H22A108.2°109.5°
H22C22C23110.7°109.4°
H22AC22C23110.7°109.5°
C22C23C24110.9°109.4°
C22C23H23109.0°109.5°
C22C23H23A109.0°109.5°
C24C23H23109.0°109.5°
C24C23H23A109.0°109.5°
C23C24C25113.0°109.5°
C23C24H24108.3°109.5°
C23C24H24A108.3°109.5°
H23C23H23A110.0°109.5°
C25C24H24108.3°109.4°
C25C24H24A108.3°109.5°
C24C25C26110.4°109.5°
C24C25H25109.1°109.5°
C24C25H25A109.2°109.5°
H24C24H24A110.6°109.5°
C26C25H25109.2°109.4°
C26C25H25A109.2°109.5°
C25C26H26110.8°109.5°
C25C26H26A110.8°109.5°
H25C25H25A109.8°109.5°
H26C26H26A108.1°109.4°
N20C27O29120.2°120.0°
N20C27C28117.1°120.0°
O29C27C28122.7°120.0°
C27C28O30125.3°125.1°
C27C28C31125.2°125.1°
O30C28C31109.5°109.8°
C28O30C33110.9°110.9°
C28C31H31126.8°127.0°
C28C31C32106.4°106.1°
H31C31C32126.8°126.9°
C31C32C33105.4°105.7°
C31C32C37134.5°134.2°
O30C33C32107.7°107.6°
O30C33C34133.8°133.3°
C32C33C34118.4°119.2°
C33C32C37120.0°120.1°
C33C34H34119.8°120.1°
C33C34C35120.4°119.9°
H34C34C35119.8°120.0°
C34C35C36121.3°120.7°
C34C35H35119.3°119.7°
C36C35H35119.4°119.6°
C35C36C37119.2°120.4°
C35C36H36120.4°119.8°
C37C36H36120.4°119.8°
C36C37C32120.6°119.7°
C36C37H37119.7°120.1°
C32C37H37119.7°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C6C1C2N20177.9°179.7°
C6C1C2C30.7°0.0°
C6C1C2H2179.3°180.0°
C1C6C5C41.2°0.1°
C1C6C5H5178.8°180.0°
C1C6C5H6180.0°179.9°
C6C1N20HN20101.4°33.5°
C6C1N20C2778.6°146.5°
C1C2C3H2180.0°179.9°
C1C2C3C40.6°0.1°
C1C2C3H3179.5°179.9°
C2C1C6C50.3°0.0°
C2C1C6H6179.7°180.0°
C2C1N20HN2076.5°146.2°
C2C1N20C27103.5°33.8°
C2C3C4H3180.0°180.0°
C2C3C4C7177.9°180.0°
C2C3C4C52.0°0.0°
C3C2C1N20178.6°179.8°
H2C2C3C4179.5°180.0°
H2C2C3H30.5°0.0°
H2C2C1N201.4°0.3°
C3C4C7C5175.8°180.0°
C3C4C5H5177.6°180.0°
C3C4C5C62.3°0.1°
C3C4C7C839.3°180.0°
C3C4C7O11141.3°0.3°
H3C3C4C72.1°0.0°
H3C3C4C5178.0°180.0°
C7C4C5H51.8°0.1°
C7C4C5C6178.2°179.9°
C4C7C8O11179.6°179.7°
C4C7C8C9179.5°180.0°
C4C7C8H80.5°0.0°
C4C7O11C10179.4°179.9°
C4C5H5C6180.0°179.9°
C4C5C6H6178.8°180.0°
C5C4C7C8136.5°0.0°
C5C4C7O1142.9°179.7°
H5C5C6H61.2°0.1°
C5C6C1N20178.2°179.7°
H6C6C1N201.8°0.2°
C7C8C9H8180.0°180.0°
C7C8C9C100.1°0.0°
C7C8C9H9179.9°180.0°
C8C7O11C100.2°0.4°
O11C7C8C90.0°0.2°
O11C7C8H8180.0°179.8°
C7O11C10C90.2°0.4°
C7O11C10C12179.5°179.8°
C8C9C10H9180.0°180.0°
C8C9C10C12179.4°180.0°
C8C9C10O110.2°0.2°
H8C8C9C10179.9°180.0°
H8C8C9H90.1°0.0°
C9C10C12O11179.1°179.8°
C9C10C12O134.3°0.1°
C9C10C12N14176.7°180.0°
H9C9C10C120.6°0.1°
H9C9C10O11179.8°179.8°
C10C12O13N14178.9°179.9°
C10C12N14C15178.7°179.9°
C10C12N14HN141.2°0.1°
O11C10C12O13174.9°179.7°
O11C10C12N144.2°0.2°
O13C12N14C150.3°0.1°
O13C12N14HN14179.7°180.0°
C12N14C15HN14180.0°180.0°
C12N14C15H159.2°35.0°
C12N14C15C16130.8°85.0°
C12N14C15C17111.6°155.0°
N14C15H15C16116.4°119.9°
N14C15H15C17118.1°120.0°
N14C15C16C17109.4°120.0°
N14C15C16N18136.5°159.5°
N14C15C17C26119.9°59.6°
N14C15C17H171.4°179.6°
N14C15C16O1941.3°20.6°
N14C15C17C22116.3°60.5°
HN14N14C15H15170.8°145.0°
HN14N14C15C1649.1°95.0°
HN14N14C15C1768.5°25.0°
H15C15C16C17122.4°120.1°
H15C15C16N188.3°39.6°
H15C15C17C268.6°179.6°
H15C15C17H17127.1°60.4°
H15C15C16O19169.5°140.5°
H15C15C17C22115.2°59.6°
C15C16N18O19177.9°179.9°
C16C15C17C26132.3°60.4°
C16C15C17H17109.2°59.6°
C15C16N18C21179.0°174.9°
C16C15C17C228.5°179.6°
C15C16N18H281.0°5.1°
N18C16C15C17114.1°80.5°
C16N18C21H28180.0°180.0°
C16N18C21H21180.0°60.0°
C16N18C21H21A60.0°180.0°
C16N18C21H2960.0°60.0°
C15C17C26H17114.5°120.0°
C15C17C26C22127.1°120.0°
C15C17H17C22121.4°119.9°
C17C15C16O1968.1°99.4°
C15C17C22H2243.5°60.0°
C15C17C22H22A76.5°60.0°
C15C17C22C23163.5°179.9°
C15C17C26C25162.1°180.0°
C15C17C26H2677.9°60.0°
C15C17C26H26A42.1°60.0°
C26C17H17C22117.9°120.0°
C26C17C22H22170.0°180.0°
C26C17C22H22A50.0°60.0°
C26C17C22C2370.0°60.0°
C17C26C25C2459.9°60.0°
C17C26C25H26120.0°120.0°
C17C26C25H26A120.0°120.1°
C17C26C25H2560.1°60.1°
C17C26C25H25A179.9°180.0°
C17C26H26H26A121.6°120.0°
H17C17C22H2270.9°59.9°
H17C17C22H22A169.1°179.9°
H17C17C22C2349.1°60.0°
H17C17C26C2547.6°60.0°
H17C17C26H26167.6°180.0°
H17C17C26H26A72.4°60.0°
O19C16N18C211.1°5.1°
O19C16N18H28178.9°174.9°
C1N20HN20C27180.0°180.0°
C1N20C27O291.6°4.6°
C1N20C27C28179.2°175.5°
HN20N20C27O29178.4°175.4°
HN20N20C27C280.8°4.5°
N18C21H21H21A120.0°120.0°
N18C21H21H29120.0°120.0°
N18C21H21AH29120.0°120.0°
H21C21H21AH29120.0°120.0°
H21C21N18H280.1°120.0°
H21AC21N18H28120.0°0.0°
C17C22H22H22A121.5°120.0°
C17C22H22C23117.1°120.0°
C17C22H22AC23117.1°120.0°
C17C22C23C2458.5°60.0°
C17C22C23H2361.5°60.0°
C17C22C23H23A178.5°180.0°
C22C17C26C2570.7°60.0°
C22C17C26H2649.3°60.0°
C22C17C26H26A169.3°180.0°
H22C22H22AC23121.5°120.0°
H22C22C23C24178.5°180.0°
H22C22C23H2358.5°59.9°
H22C22C23H23A61.5°60.1°
H22AC22C23C2461.5°60.0°
H22AC22C23H23178.5°179.9°
H22AC22C23H23A58.5°59.9°
C22C23C24H23120.0°120.0°
C22C23C24H23A120.0°120.0°
C22C23H23H23A119.4°120.0°
C22C23C24C2551.0°60.0°
C22C23C24H24171.1°180.0°
C22C23C24H24A69.0°60.0°
C24C23H23H23A119.4°120.0°
C23C24C25H24120.0°120.0°
C23C24C25H24A120.0°120.0°
C23C24H24H24A118.6°120.0°
C23C24C25C2651.6°60.0°
C23C24C25H2568.4°59.9°
C23C24C25H25A171.7°180.0°
H23C23C24C2568.9°60.0°
H23C23C24H2451.1°60.0°
H23C23C24H24A171.1°180.0°
H23AC23C24C25171.1°180.0°
H23AC23C24H2468.9°60.0°
H23AC23C24H24A51.1°60.0°
C25C24H24H24A118.5°120.0°
C24C25C26H25120.0°120.0°
C24C25C26H25A120.0°120.0°
C24C25H25H25A119.6°120.1°
C24C25C26H2660.1°60.0°
C24C25C26H26A179.9°180.0°
H24C24C25C26171.7°180.0°
H24C24C25H2551.6°60.1°
H24C24C25H25A68.3°60.0°
H24AC24C25C2668.4°60.0°
H24AC24C25H25171.6°179.9°
H24AC24C25H25A51.7°60.0°
C26C25H25H25A119.6°120.0°
C25C26H26H26A121.6°120.0°
H25C25C26H26179.9°180.0°
H25C25C26H26A59.9°60.0°
H25AC25C26H2659.9°60.0°
H25AC25C26H26A60.1°59.9°
N20C27O29C28177.5°179.9°
N20C27C28O3056.1°0.1°
N20C27C28C31123.0°179.7°
O29C27C28O30126.2°180.0°
O29C27C28C3154.6°0.4°
C27C28O30C31179.2°179.6°
C27C28C31H310.6°0.1°
C27C28C31C32179.4°179.9°
C27C28O30C33179.4°179.9°
O30C28C31H31179.9°179.7°
O30C28C31C320.1°0.2°
C28O30C33C320.1°0.1°
C28O30C33C34179.7°179.9°
C28C31H31C32180.0°179.9°
C31C28O30C330.1°0.2°
C28C31C32C330.1°0.1°
C28C31C32C37179.8°179.9°
H31C31C32C33179.9°179.8°
H31C31C32C370.2°0.1°
C31C32C33O300.0°0.0°
C31C32C33C37179.8°179.9°
C31C32C33C34179.8°179.9°
C31C32C37C36179.9°179.8°
C31C32C37H370.1°0.3°
O30C33C32C34179.9°180.0°
O30C33C34H340.0°0.1°
O30C33C34C35180.0°180.0°
O30C33C32C37179.8°179.9°
C32C33C34H34179.9°179.9°
C32C33C34C350.2°0.1°
C33C32C37C360.3°0.3°
C33C32C37H37179.6°179.8°
C33C34H34C35180.0°180.0°
C33C34C35C360.0°0.1°
C33C34C35H35180.0°180.0°
C34C33C32C370.3°0.0°
H34C34C35C36180.0°180.0°
H34C34C35H350.0°0.0°
C34C35C36H35180.0°180.0°
C34C35C36C370.0°0.3°
C34C35C36H36180.0°180.0°
C35C36C37H36180.0°179.7°
C35C36C37C320.2°0.5°
C35C36C37H37179.8°180.0°
H35C35C36C37180.0°179.7°
H35C35C36H360.0°0.0°
C36C37C32H37180.0°179.5°
H36C36C37C32179.9°179.8°
H36C36C37H370.2°0.3°
H28N18C21H29120.0°120.0°

248636

PDB entries from 2026-02-04

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