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L94

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.40Å1.44ÅAromatic
C1C6sing1.39Å1.43ÅAromatic
C1C11sing1.48Å1.37Å
C2C3sing1.38Å1.37ÅAromatic
C2H2sing1.08Å1.08Å
C3C4doub1.40Å1.43ÅAromatic
C3H3sing1.08Å1.08Å
C4C5sing1.39Å1.43ÅAromatic
C4C14sing1.48Å1.36Å
C5C6doub1.38Å1.37ÅAromatic
C5H5sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C11N111sing1.38Å1.35Å
C11N21doub1.30Å1.36Å
N111H111sing0.97Å1.00Å
N111H11Asing0.97Å1.00Å
N114C14sing1.38Å1.35Å
N114H411sing0.97Å1.00Å
N114H41Asing0.97Å1.00Å
C14N24doub1.30Å1.35Å
N21C31sing1.47Å1.46Å
N21H121sing0.97Å1.00Å
N24C34sing1.47Å1.46Å
N24H424sing0.97Å1.00Å
C31C41sing1.53Å1.54Å
C31H131sing1.09Å1.10Å
C31H13Asing1.09Å1.10Å
C34C44sing1.53Å1.54Å
C34H434sing1.09Å1.10Å
C34H43Asing1.09Å1.10Å
C41C51sing1.53Å1.53Å
C41H141sing1.09Å1.10Å
C41H14Asing1.09Å1.10Å
C44C54sing1.53Å1.54Å
C44H444sing1.09Å1.10Å
C44H44Asing1.09Å1.10Å
C51N61sing1.47Å1.51Å
C51H151sing1.09Å1.10Å
C51H15Asing1.09Å1.10Å
C54N64sing1.47Å1.51Å
C54H454sing1.09Å1.10Å
C54H45Asing1.09Å1.10Å
N61C71sing1.47Å1.50Å
N61C81sing1.47Å1.51Å
N61H161sing1.01Å1.00Å
N64C74sing1.47Å1.51Å
N64C84sing1.47Å1.50Å
N64H464sing1.01Å1.00Å
C71H171sing1.09Å1.10Å
C71H17Asing1.09Å1.10Å
C71H17Bsing1.09Å1.10Å
C74H474sing1.09Å1.10Å
C74H47Asing1.09Å1.10Å
C74H47Bsing1.09Å1.10Å
C81H181sing1.09Å1.10Å
C81H18Asing1.09Å1.10Å
C81H18Bsing1.09Å1.10Å
C84H484sing1.09Å1.10Å
C84H48Asing1.09Å1.10Å
C84H48Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6116.4°120.0°
C2C1C11122.2°120.0°
C1C2C3121.8°120.0°
C1C2H2119.1°120.1°
C6C1C11121.4°120.0°
C1C6C5121.8°120.0°
C1C6H6119.1°120.0°
C1C11N111122.8°120.0°
C1C11N21122.4°120.0°
C3C2H2119.1°120.0°
C2C3C4121.7°120.0°
C2C3H3119.1°120.0°
C4C3H3119.1°120.0°
C3C4C5116.4°120.0°
C3C4C14122.2°120.0°
C5C4C14121.3°120.0°
C4C5C6121.9°120.0°
C4C5H5119.1°120.0°
C4C14N114123.4°120.0°
C4C14N24122.6°120.0°
C6C5H5119.1°120.0°
C5C6H6119.1°120.0°
N111C11N21114.8°120.0°
C11N111H111120.0°120.0°
C11N111H11A120.0°120.0°
C11N21C31126.7°120.0°
C11N21H121116.7°120.0°
H111N111H11A120.0°120.0°
C14N114H411120.0°120.0°
C14N114H41A120.0°120.0°
N114C14N24114.0°120.0°
H411N114H41A120.0°120.0°
C14N24C34126.2°120.0°
C14N24H424116.9°120.0°
C31N21H121116.6°120.0°
N21C31C41108.0°109.5°
N21C31H131109.9°109.4°
N21C31H13A110.0°109.5°
C34N24H424116.9°120.0°
N24C34C44107.9°109.5°
N24C34H434110.0°109.4°
N24C34H43A110.0°109.5°
C41C31H131110.0°109.5°
C41C31H13A110.0°109.5°
C31C41C51111.0°109.5°
C31C41H141109.0°109.4°
C31C41H14A109.0°109.5°
H131C31H13A109.0°109.5°
C44C34H434110.0°109.5°
C44C34H43A110.0°109.5°
C34C44C54112.7°109.5°
C34C44H444108.4°109.5°
C34C44H44A108.4°109.5°
H434C34H43A108.9°109.5°
C51C41H141109.0°109.5°
C51C41H14A109.0°109.5°
C41C51N61109.3°109.5°
C41C51H151109.6°109.5°
C41C51H15A109.5°109.5°
H141C41H14A109.9°109.5°
C54C44H444108.4°109.5°
C54C44H44A108.4°109.5°
C44C54N64111.5°109.4°
C44C54H454108.8°109.4°
C44C54H45A108.8°109.5°
H444C44H44A110.5°109.4°
N61C51H151109.5°109.5°
N61C51H15A109.5°109.4°
C51N61C71109.9°109.4°
C51N61C81110.9°109.5°
C51N61H161108.2°109.5°
H151C51H15A109.4°109.5°
N64C54H454108.8°109.5°
N64C54H45A108.8°109.5°
C54N64C74108.8°109.5°
C54N64C84112.2°109.5°
C54N64H464107.9°109.5°
H454C54H45A110.1°109.5°
C71N61C81109.6°109.4°
C71N61H161109.6°109.4°
N61C71H171109.5°109.5°
N61C71H17A109.5°109.5°
N61C71H17B109.4°109.4°
C81N61H161108.6°109.5°
N61C81H181109.5°109.4°
N61C81H18A109.5°109.5°
N61C81H18B109.5°109.5°
C74N64C84108.9°109.4°
C74N64H464111.2°109.4°
N64C74H474109.5°109.5°
N64C74H47A109.5°109.5°
N64C74H47B109.5°109.4°
C84N64H464107.8°109.5°
N64C84H484109.5°109.4°
N64C84H48A109.4°109.5°
N64C84H48B109.5°109.5°
H171C71H17A109.5°109.5°
H171C71H17B109.5°109.5°
H17AC71H17B109.5°109.4°
H474C74H47A109.4°109.5°
H474C74H47B109.5°109.4°
H47AC74H47B109.4°109.5°
H181C81H18A109.4°109.5°
H181C81H18B109.5°109.4°
H18AC81H18B109.5°109.5°
H484C84H48A109.5°109.5°
H484C84H48B109.4°109.5°
H48AC84H48B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6C11179.8°179.7°
C1C2C3H2180.0°180.0°
C1C2C3C40.5°0.0°
C1C2C3H3179.5°179.9°
C2C1C6C51.8°0.0°
C2C1C6H6178.1°180.0°
C2C1C11N1111.6°30.0°
C2C1C11N21178.6°150.0°
C6C1C2C31.4°0.0°
C6C1C2H2178.6°180.0°
C1C6C5C40.3°0.1°
C1C6C5H6180.0°179.9°
C1C6C5H5179.7°180.0°
C6C1C11N111178.2°150.3°
C6C1C11N211.6°29.7°
C11C1C2C3178.4°179.7°
C11C1C2H21.6°0.3°
C11C1C6C5178.0°179.6°
C11C1C6H62.0°0.3°
C1C11N111N21179.8°180.0°
C1C11N111H111179.8°0.0°
C1C11N111H11A0.2°180.0°
C1C11N21C31144.5°180.0°
C1C11N21H12135.5°0.0°
C2C3C4H3180.0°179.9°
C2C3C4C52.0°0.0°
C2C3C4C14178.2°180.0°
H2C2C3C4179.5°180.0°
H2C2C3H30.5°0.1°
C3C4C5C14179.9°180.0°
C3C4C5C61.6°0.1°
C3C4C5H5178.4°180.0°
C3C4C14N1140.6°29.9°
C3C4C14N24179.3°150.0°
H3C3C4C5178.0°180.0°
H3C3C4C141.8°0.1°
C4C5C6H5180.0°179.9°
C4C5C6H6179.6°180.0°
C5C4C14N114179.2°150.0°
C5C4C14N240.9°30.0°
C14C4C5C6178.6°179.9°
C14C4C5H51.4°0.0°
C4C14N114N24179.9°179.9°
C4C14N114H411179.9°0.0°
C4C14N114H41A0.1°179.9°
C4C14N24C34158.3°180.0°
C4C14N24H42421.7°0.0°
H5C5C6H60.3°0.1°
C11N111H111H11A180.0°179.9°
N111C11N21C3135.3°0.0°
N111C11N21H121144.7°180.0°
N21C11N111H1110.0°180.0°
N21C11N111H11A180.0°0.0°
C11N21C31H121180.0°179.9°
C11N21C31C4198.2°180.0°
C11N21C31H131141.8°60.0°
C11N21C31H13A21.8°59.9°
C14N114H411H41A180.0°180.0°
N114C14N24C3421.8°0.0°
N114C14N24H424158.2°179.9°
H411N114C14N240.0°180.0°
H41AN114C14N24180.0°0.0°
C14N24C34H424180.0°180.0°
C14N24C34C4478.0°180.0°
C14N24C34H434162.0°60.0°
C14N24C34H43A42.0°60.0°
N21C31C41H131120.0°119.9°
N21C31C41H13A120.0°120.0°
N21C31H131H13A120.6°119.9°
N21C31C41C51178.9°180.0°
N21C31C41H14158.8°60.0°
N21C31C41H14A61.1°60.0°
H121N21C31C4181.8°0.1°
H121N21C31H13138.1°120.0°
H121N21C31H13A158.2°120.0°
N24C34C44H434120.0°119.9°
N24C34C44H43A120.0°120.0°
N24C34H434H43A120.7°120.0°
N24C34C44C54178.4°180.0°
N24C34C44H44458.4°60.0°
N24C34C44H44A61.6°60.0°
H424N24C34C44102.0°0.0°
H424N24C34H43418.0°119.9°
H424N24C34H43A138.0°120.0°
C41C31H131H13A120.6°120.1°
C31C41C51H141120.0°120.0°
C31C41C51H14A120.0°120.0°
C31C41H141H14A119.4°120.0°
C31C41C51N61177.8°180.0°
C31C41C51H15157.8°60.0°
C31C41C51H15A62.2°60.0°
H131C31C41C5161.2°60.0°
H131C31C41H141178.8°180.0°
H131C31C41H14A58.8°60.0°
H13AC31C41C5158.9°60.0°
H13AC31C41H14161.1°60.0°
H13AC31C41H14A178.9°180.0°
C44C34H434H43A120.6°120.1°
C34C44C54H444120.0°120.0°
C34C44C54H44A120.0°120.0°
C34C44H444H44A118.7°120.0°
C34C44C54N6487.8°180.0°
C34C44C54H45432.2°60.1°
C34C44C54H45A152.2°60.0°
H434C34C44C5461.6°60.1°
H434C34C44H444178.4°179.9°
H434C34C44H44A58.4°60.0°
H43AC34C44C5458.4°60.0°
H43AC34C44H44461.6°60.0°
H43AC34C44H44A178.4°180.0°
C51C41H141H14A119.4°120.0°
C41C51N61H151120.0°120.0°
C41C51N61H15A120.0°120.0°
C41C51H151H15A120.1°120.0°
C41C51N61C71171.0°65.0°
C41C51N61C8167.6°175.0°
C41C51N61H16151.4°54.9°
H141C41C51N6162.2°60.0°
H141C41C51H151177.8°180.0°
H141C41C51H15A57.8°60.0°
H14AC41C51N6157.8°60.0°
H14AC41C51H15162.2°60.0°
H14AC41C51H15A177.8°180.0°
C54C44H444H44A118.6°120.0°
C44C54N64H454120.0°119.9°
C44C54N64H45A120.0°120.0°
C44C54H454H45A119.2°120.0°
C44C54N64C74176.6°65.0°
C44C54N64C8455.9°175.0°
C44C54N64H46462.6°55.0°
H444C44C54N64152.2°60.0°
H444C44C54H45487.8°179.9°
H444C44C54H45A32.2°60.0°
H44AC44C54N6432.2°60.0°
H44AC44C54H454152.2°60.0°
H44AC44C54H45A87.8°180.0°
N61C51H151H15A120.1°120.0°
C51N61C71C81122.1°120.0°
C51N61C71H161118.8°120.0°
C51N61C81H161118.8°120.0°
C51N61C71H171180.0°60.0°
C51N61C71H17A60.0°180.0°
C51N61C71H17B60.0°60.0°
C51N61C81H181180.0°60.0°
C51N61C81H18A60.0°180.0°
C51N61C81H18B60.0°59.9°
H151C51N61C7169.0°55.0°
H151C51N61C8152.4°65.0°
H151C51N61H161171.4°175.0°
H15AC51N61C7151.0°175.0°
H15AC51N61C81172.4°55.0°
H15AC51N61H16168.6°65.0°
N64C54H454H45A119.2°120.1°
C54N64C74C84122.6°120.0°
C54N64C74H464118.7°120.1°
C54N64C84H464118.6°120.1°
C54N64C74H474180.0°179.9°
C54N64C74H47A60.0°60.0°
C54N64C74H47B60.0°60.0°
C54N64C84H484180.0°60.0°
C54N64C84H48A60.0°180.0°
C54N64C84H48B60.0°59.9°
H454C54N64C7456.6°54.9°
H454C54N64C8464.0°65.0°
H454C54N64H464177.4°174.9°
H45AC54N64C7463.4°175.0°
H45AC54N64C84176.0°55.1°
H45AC54N64H46457.4°65.0°
C71N61C81H161119.7°120.0°
N61C71H171H17A120.0°120.0°
N61C71H171H17B120.0°120.0°
N61C71H17AH17B120.0°119.9°
C71N61C81H18158.4°180.0°
C71N61C81H18A178.4°60.0°
C71N61C81H18B61.6°60.1°
C81N61C71H17157.9°60.0°
C81N61C71H17A62.1°60.0°
C81N61C71H17B177.9°179.9°
N61C81H181H18A120.0°120.1°
N61C81H181H18B120.0°120.0°
N61C81H18AH18B120.0°120.1°
H161N61C71H17161.2°180.0°
H161N61C71H17A178.8°60.0°
H161N61C71H17B58.8°59.9°
H161N61C81H18161.2°60.1°
H161N61C81H18A58.8°60.0°
H161N61C81H18B178.8°180.0°
C74N64C84H464120.8°119.9°
N64C74H474H47A120.0°120.1°
N64C74H474H47B120.0°119.9°
N64C74H47AH47B120.0°120.0°
C74N64C84H48459.4°180.0°
C74N64C84H48A179.4°60.0°
C74N64C84H48B60.6°60.0°
C84N64C74H47457.3°59.9°
C84N64C74H47A62.6°180.0°
C84N64C74H47B177.4°60.0°
N64C84H484H48A120.0°120.0°
N64C84H484H48B120.0°119.9°
N64C84H48AH48B120.0°120.0°
H464N64C74H47461.3°60.0°
H464N64C74H47A178.7°60.1°
H464N64C74H47B58.7°179.9°
H464N64C84H48461.4°60.1°
H464N64C84H48A58.6°59.9°
H464N64C84H48B178.6°180.0°
H171C71H17AH17B120.0°120.0°
H474C74H47AH47B120.0°120.0°
H181C81H18AH18B120.0°119.9°
H484C84H48AH48B120.0°120.0°

227344

PDB entries from 2024-11-13

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