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MCK

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C7C1sing1.48Å1.51Å
C1C2doub1.40Å1.39ÅAromatic
C1C6sing1.40Å1.40ÅAromatic
O10C2sing1.36Å1.36Å
C2C3sing1.39Å1.38ÅAromatic
C3O11sing1.36Å1.36Å
C3C4doub1.38Å1.39ÅAromatic
C5C4sing1.38Å1.39ÅAromatic
C4H4sing1.08Å1.08Å
C6C5doub1.38Å1.39ÅAromatic
C5H5sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
N9C7sing1.35Å1.34Å
O8C7doub1.22Å1.22Å
C12N9sing1.47Å1.46Å
N9HN9sing0.97Å1.00Å
O10HO10sing0.97Å0.95Å
O11HO11sing0.97Å0.95Å
C13C12sing1.51Å1.51Å
C14C12sing1.53Å1.53Å
C12H12sing1.09Å1.10Å
O16C13doub1.21Å1.22Å
C13O17sing1.34Å1.46Å
O15C14sing1.45Å1.43Å
C14H14sing1.09Å1.10Å
C14H14Asing1.09Å1.10Å
O15C24sing1.34Å1.46Å
C18O17sing1.45Å1.43Å
C18C19sing1.53Å1.53Å
C18H18sing1.09Å1.10Å
C18H18Asing1.09Å1.10Å
C21C19sing1.51Å1.50Å
C19N20sing1.46Å1.46Å
C19H19sing1.09Å1.10Å
N20C29sing1.35Å1.33Å
N20HN20sing0.97Å1.00Å
O22C21doub1.21Å1.22Å
C21O23sing1.34Å1.45Å
O23HO23sing0.97Å0.95Å
C24C26sing1.51Å1.51Å
C24O25doub1.21Å1.22Å
N27C26sing1.47Å1.45Å
C26C28sing1.53Å1.52Å
C26H26sing1.09Å1.10Å
N27HN27sing1.01Å1.00Å
N27HN2Asing1.01Å1.00Å
C28O45sing1.43Å1.43Å
C28H28sing1.09Å1.10Å
C28H28Asing1.09Å1.10Å
O30C29doub1.22Å1.22Å
C29C31sing1.48Å1.50Å
C31C32doub1.40Å1.39ÅAromatic
C31C36sing1.40Å1.39ÅAromatic
O37C32sing1.36Å1.36Å
C32C33sing1.39Å1.39ÅAromatic
C33O38sing1.36Å1.36Å
C33C34doub1.38Å1.39ÅAromatic
C35C34sing1.39Å1.39ÅAromatic
C34H34sing1.08Å1.08Å
C36C35doub1.38Å1.39ÅAromatic
C35H35sing1.08Å1.08Å
C36H36sing1.08Å1.08Å
O37HO37sing0.97Å0.95Å
O38HO38sing0.97Å0.95Å
O45HO45sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C7C1C2121.4°120.2°
C7C1C6119.5°120.1°
C1C7N9119.7°120.0°
C1C7O8118.6°119.9°
C2C1C6119.2°119.7°
C1C2O10121.2°120.2°
C1C2C3120.2°119.7°
C1C6C5120.4°120.0°
C1C6H6119.8°120.0°
O10C2C3118.6°120.2°
C2O10HO10109.5°114.0°
C2C3O11119.3°120.0°
C2C3C4120.8°120.0°
O11C3C4119.9°120.0°
C3O11HO11109.5°114.0°
C3C4C5119.4°120.3°
C3C4H4120.3°119.8°
C5C4H4120.3°119.8°
C4C5C6120.1°120.4°
C4C5H5120.0°119.9°
C6C5H5120.0°119.8°
C5C6H6119.8°120.0°
N9C7O8121.6°120.1°
C7N9C12122.8°119.9°
C7N9HN9118.6°120.0°
C12N9HN9118.6°120.0°
N9C12C13111.7°109.5°
N9C12C14111.5°109.5°
N9C12H12106.8°109.4°
C13C12C14110.5°109.5°
C13C12H12108.0°109.5°
C12C13O16120.3°120.0°
C12C13O17120.1°120.0°
C14C12H12108.2°109.5°
C12C14O15110.1°109.5°
C12C14H14109.3°109.5°
C12C14H14A109.3°109.5°
O16C13O17119.6°120.0°
C13O17C18122.8°117.0°
O15C14H14109.2°109.5°
O15C14H14A109.3°109.4°
C14O15C24121.3°117.0°
H14C14H14A109.7°109.4°
O15C24C26121.7°120.0°
O15C24O25117.9°120.0°
O17C18C19111.2°109.5°
O17C18H18108.9°109.5°
O17C18H18A108.9°109.5°
C19C18H18108.9°109.5°
C19C18H18A108.9°109.5°
C18C19C21110.8°109.5°
C18C19N20110.4°109.5°
C18C19H19108.8°109.5°
H18C18H18A110.0°109.4°
C21C19N20111.9°109.5°
C21C19H19107.2°109.4°
C19C21O22120.4°120.0°
C19C21O23120.7°120.0°
N20C19H19107.6°109.5°
C19N20C29123.2°120.0°
C19N20HN20118.4°120.0°
C29N20HN20118.4°120.0°
N20C29O30122.8°119.9°
N20C29C31117.8°120.0°
O22C21O23118.9°120.0°
C21O23HO23109.5°117.0°
C26C24O25120.4°120.0°
C24C26N27111.4°109.5°
C24C26C28110.4°109.5°
C24C26H26107.4°109.5°
N27C26C28108.9°109.5°
N27C26H26108.9°109.5°
C26N27HN27109.5°111.0°
C26N27HN2A109.4°111.0°
C28C26H26109.9°109.5°
C26C28O45108.8°109.4°
C26C28H28109.7°109.5°
C26C28H28A109.7°109.5°
HN27N27HN2A109.5°111.0°
O45C28H28109.7°109.5°
O45C28H28A109.7°109.5°
C28O45HO45109.5°114.0°
H28C28H28A109.2°109.5°
O30C29C31119.4°120.0°
C29C31C32120.9°120.1°
C29C31C36119.3°120.2°
C32C31C36119.8°119.7°
C31C32O37120.1°120.2°
C31C32C33120.2°119.6°
C31C36C35120.0°120.0°
C31C36H36120.0°120.0°
O37C32C33119.7°120.2°
C32O37HO37109.5°114.0°
C32C33O38120.5°120.0°
C32C33C34120.0°120.0°
O38C33C34119.5°120.0°
C33O38HO38109.5°114.1°
C33C34C35119.8°120.3°
C33C34H34120.1°119.8°
C35C34H34120.1°119.8°
C34C35C36120.3°120.4°
C34C35H35119.9°119.8°
C36C35H35119.8°119.8°
C35C36H36120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C7C1C2C6179.1°179.7°
C7C1C2O100.6°0.3°
C7C1C2C3179.5°179.8°
C7C1C6C5179.5°179.8°
C7C1C6H60.5°0.3°
C1C7N9O8176.8°180.0°
C1C7N9C12169.9°180.0°
C1C7N9HN910.1°0.1°
C1C2O10C3179.9°179.9°
C1C2C3O11179.9°180.0°
C1C2C3C40.2°0.0°
C2C1C6C50.4°0.0°
C2C1C6H6179.6°180.0°
C2C1C7N919.3°180.0°
C2C1C7O8163.8°0.0°
C1C2O10HO10180.0°90.0°
C6C1C2O10179.7°179.9°
C6C1C2C30.4°0.0°
C1C6C5C40.1°0.0°
C1C6C5H6180.0°180.0°
C1C6C5H5179.9°180.0°
C6C1C7N9159.8°0.2°
C6C1C7O817.1°179.7°
O10C2C3O110.0°0.0°
O10C2C3C4179.9°180.0°
C2C3O11C4180.0°180.0°
C2C3C4C50.1°0.1°
C2C3C4H4179.9°180.0°
C3C2O10HO100.1°90.0°
C2C3O11HO11180.0°90.0°
O11C3C4C5179.9°179.9°
O11C3C4H40.1°0.0°
C3C4C5H4180.0°179.9°
C3C4C5C60.1°0.1°
C3C4C5H5179.9°180.0°
C4C3O11HO110.0°90.0°
C4C5C6H5180.0°180.0°
C4C5C6H6179.8°180.0°
H4C4C5C6179.9°180.0°
H4C4C5H50.1°0.0°
H5C5C6H60.2°0.0°
C7N9C12HN9180.0°179.9°
C7N9C12C13162.4°60.0°
C7N9C12C1473.4°60.1°
C7N9C12H1244.5°180.0°
O8C7N9C127.0°0.0°
O8C7N9HN9173.0°180.0°
N9C12C13C14124.8°120.0°
N9C12C13H12117.2°119.9°
N9C12C14H12117.2°119.9°
N9C12C13O16159.6°20.0°
N9C12C13O1720.8°160.0°
N9C12C14O1574.3°65.0°
N9C12C14H14165.7°55.1°
N9C12C14H14A45.7°175.0°
HN9N9C12C1317.6°120.0°
HN9N9C12C14106.6°120.0°
HN9N9C12H12135.5°0.0°
C13C12C14H12118.0°120.1°
C12C13O16O17179.6°180.0°
C13C12C14O1550.6°175.0°
C13C12C14H1469.4°65.0°
C13C12C14H14A170.6°55.0°
C12C13O17C18174.0°180.0°
C14C12C13O1634.8°100.0°
C14C12C13O17145.5°80.0°
C12C14O15H14120.0°120.0°
C12C14O15H14A120.0°120.0°
C12C14H14H14A119.8°120.0°
C12C14O15C24127.7°180.0°
H12C12C13O1683.3°139.9°
H12C12C13O1796.4°40.0°
H12C12C14O15168.6°54.9°
H12C12C14H1448.6°175.0°
H12C12C14H14A71.4°65.1°
O16C13O17C185.6°0.0°
C13O17C18C19115.4°180.0°
C13O17C18H18124.6°60.0°
C13O17C18H18A4.6°60.0°
O15C14H14H14A119.7°119.9°
C14O15C24C2653.4°180.0°
C14O15C24O25127.2°0.1°
H14C14O15C24112.3°59.9°
H14AC14O15C247.7°60.0°
O15C24C26O25179.4°179.9°
O15C24C26N277.5°160.0°
O15C24C26C28113.6°80.0°
O15C24C26H26126.6°40.0°
O17C18C19H18120.0°120.0°
O17C18C19H18A120.0°120.0°
O17C18H18H18A119.3°120.0°
O17C18C19C21118.3°55.0°
O17C18C19N206.2°65.0°
O17C18C19H19124.1°175.0°
C19C18H18H18A119.3°120.0°
C18C19C21N20123.6°120.0°
C18C19C21H19118.6°120.0°
C18C19N20H19118.6°120.0°
C18C19N20C29155.1°155.0°
C18C19N20HN2024.9°25.0°
C18C19C21O2267.0°120.0°
C18C19C21O23113.3°60.0°
H18C18C19C21121.7°175.0°
H18C18C19N20113.8°55.0°
H18C18C19H194.1°65.0°
H18AC18C19C211.7°65.0°
H18AC18C19N20126.2°175.0°
H18AC18C19H19115.9°55.0°
C21C19N20H19117.5°120.0°
C21C19N20C2981.0°85.0°
C21C19N20HN2099.0°95.0°
C19C21O22O23179.7°180.0°
C19C21O23HO23179.7°180.0°
C19N20C29HN20180.0°180.0°
N20C19C21O22169.3°0.0°
N20C19C21O2310.4°180.0°
C19N20C29O302.7°0.0°
C19N20C29C31176.2°180.0°
H19C19N20C2936.5°35.0°
H19C19N20HN20143.5°145.0°
H19C19C21O2251.6°120.0°
H19C19C21O23128.1°60.0°
N20C29O30C31178.9°180.0°
N20C29C31C3263.4°180.0°
N20C29C31C36116.1°0.2°
HN20N20C29O30177.4°180.0°
HN20N20C29C313.7°0.0°
O22C21O23HO230.0°0.0°
C24C26N27C28121.9°120.0°
C24C26N27H26118.2°120.0°
C24C26C28H26118.2°120.0°
C24C26N27HN27180.0°63.9°
C24C26N27HN2A60.0°60.0°
C24C26C28O45160.8°175.0°
C24C26C28H2879.1°65.0°
C24C26C28H28A40.8°55.0°
O25C24C26N27171.9°20.0°
O25C24C26C2867.0°100.0°
O25C24C26H2652.8°140.0°
N27C26C28H26119.2°120.0°
C26N27HN27HN2A120.0°123.9°
N27C26C28O4576.6°65.0°
N27C26C28H2843.4°55.0°
N27C26C28H28A163.4°175.0°
C28C26N27HN2758.1°176.1°
C28C26N27HN2A178.0°60.0°
C26C28O45H28120.0°120.0°
C26C28O45H28A120.0°120.0°
C26C28H28H28A120.2°120.0°
C26C28O45HO45180.0°180.0°
H26C26N27HN2761.8°56.1°
H26C26N27HN2A58.2°180.0°
H26C26C28O4542.6°55.0°
H26C26C28H28162.6°175.0°
H26C26C28H28A77.4°65.0°
O45C28H28H28A120.3°120.0°
H28C28O45HO4560.0°60.0°
H28AC28O45HO4560.0°60.0°
O30C29C31C32117.7°0.0°
O30C29C31C3662.9°179.8°
C29C31C32C36179.5°179.8°
C29C31C32O370.2°0.0°
C29C31C32C33179.8°180.0°
C29C31C36C35179.8°179.8°
C29C31C36H360.2°0.0°
C31C32O37C33179.9°180.0°
C31C32C33O38179.8°180.0°
C31C32C33C340.1°0.0°
C32C31C36C350.7°0.5°
C32C31C36H36179.3°179.8°
C31C32O37HO37180.0°90.0°
C36C31C32O37179.7°179.8°
C36C31C32C330.3°0.2°
C31C36C35C340.8°0.5°
C31C36C35H36180.0°179.8°
C31C36C35H35179.2°179.7°
O37C32C33O380.1°0.1°
O37C32C33C34180.0°180.0°
C32C33O38C34179.9°179.9°
C32C33C34C350.2°0.0°
C32C33C34H34179.8°180.0°
C33C32O37HO370.0°90.0°
C32C33O38HO38180.0°89.9°
O38C33C34C35179.7°180.0°
O38C33C34H340.2°0.0°
C33C34C35H34180.0°180.0°
C33C34C35C360.6°0.3°
C33C34C35H35179.4°179.9°
C34C33O38HO380.1°90.0°
C34C35C36H35180.0°179.8°
C34C35C36H36179.2°179.7°
H34C34C35C36179.5°179.7°
H34C34C35H350.5°0.1°
H35C35C36H360.8°0.1°

222415

PDB entries from 2024-07-10

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