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486

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O30C2doub1.21Å1.19Å
C2C1sing1.50Å1.58Å
C2C3sing1.41Å1.51Å
C1C6sing1.53Å1.48Å
C1HC1Asing1.09Å1.11Å
C1HC12sing1.09Å1.12Å
C3C4doub1.35Å1.36Å
C3HC3sing1.08Å1.10Å
C4C7sing1.51Å1.57Å
C4C5sing1.46Å1.49Å
C7C8sing1.53Å1.50Å
C7HC71sing1.09Å1.11Å
C7HC72sing1.09Å1.11Å
C5C6sing1.51Å1.62Å
C5C10doub1.32Å1.40Å
C6HC61sing1.09Å1.12Å
C6HC62sing1.09Å1.11Å
C10C14sing1.52Å1.65Å
C10C9sing1.51Å1.65Å
C14C18sing1.51Å1.58Å
C14C13sing1.54Å1.55Å
C14HC14sing1.09Å1.12Å
C18C22doub1.38Å1.46ÅAromatic
C18C26sing1.38Å1.43ÅAromatic
C22C23sing1.38Å1.38ÅAromatic
C22HC22sing1.08Å1.10Å
C23C24doub1.39Å1.44ÅAromatic
C23HC23sing1.08Å1.10Å
C24N27sing1.40Å1.45Å
C24C25sing1.39Å1.48ÅAromatic
N27C29sing1.47Å1.46Å
N27C28sing1.46Å1.49Å
C29H291sing1.09Å1.12Å
C29H292sing1.09Å1.11Å
C29H293sing1.09Å1.12Å
C28H281sing1.09Å1.12Å
C28H282sing1.09Å1.11Å
C28H283sing1.09Å1.12Å
C25C26doub1.38Å1.42ÅAromatic
C25HC25sing1.08Å1.10Å
C26HC26sing1.08Å1.10Å
C13C12sing1.50Å1.57Å
C13H131sing1.09Å1.12Å
C13H132sing1.09Å1.12Å
C12C19sing1.53Å1.64Å
C12C17sing1.53Å1.56Å
C12C11sing1.55Å1.57Å
C19H191sing1.09Å1.11Å
C19H192sing1.09Å1.12Å
C19H193sing1.09Å1.11Å
C17C31sing1.47Å1.52Å
C17O3sing1.43Å1.45Å
C17C16sing1.55Å1.57Å
C31C30trip1.17Å1.21Å
C30C32sing1.47Å1.49Å
C32H321sing1.09Å1.11Å
C32H322sing1.09Å1.12Å
C32H323sing1.09Å1.11Å
O3HO3sing0.97Å0.95Å
C16C15sing1.55Å1.56Å
C16H161sing1.09Å1.12Å
C16H162sing1.09Å1.12Å
C15C11sing1.53Å1.59Å
C15H151sing1.09Å1.11Å
C15H152sing1.09Å1.11Å
C11C9sing1.52Å1.53Å
C11HC11sing1.09Å1.11Å
C9C8sing1.52Å1.59Å
C9HC9sing1.09Å1.12Å
C8HC81sing1.09Å1.12Å
C8HC82sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O30C2C1123.5°119.5°
O30C2C3122.5°119.4°
C1C2C3113.9°121.1°
C2C1C6100.4°109.9°
C2C1HC1A115.7°109.5°
C2C1HC12115.7°109.4°
C2C3C4117.6°120.6°
C2C3HC3126.0°119.7°
C6C1HC1A115.7°109.4°
C6C1HC12115.7°109.4°
C1C6C595.1°108.8°
C1C6HC61117.8°109.6°
C1C6HC62117.9°109.6°
HC1AC1HC1294.8°109.3°
C4C3HC3116.4°119.7°
C3C4C7116.7°121.5°
C3C4C5118.2°120.3°
C7C4C5124.7°118.2°
C4C7C8104.7°107.9°
C4C7HC71114.0°109.7°
C4C7HC72114.0°109.8°
C4C5C6115.6°118.6°
C4C5C10117.0°120.8°
C8C7HC71114.0°109.8°
C8C7HC72114.0°109.8°
C7C8C9110.7°111.5°
C7C8HC81111.7°109.1°
C7C8HC82111.7°109.1°
HC71C7HC7296.5°109.8°
C6C5C10127.2°120.6°
C5C6HC61117.8°109.6°
C5C6HC62117.8°109.5°
C5C10C14126.7°117.4°
C5C10C9117.4°123.0°
HC61C6HC6292.5°109.7°
C14C10C9115.9°119.5°
C10C14C18106.9°109.2°
C10C14C13111.1°110.8°
C10C14HC14111.4°109.2°
C10C9C11105.8°107.6°
C10C9C8117.9°112.8°
C10C9HC9105.8°109.0°
C18C14C13113.0°109.2°
C18C14HC14109.4°109.2°
C14C18C22119.8°119.9°
C14C18C26122.3°120.0°
C13C14HC14105.1°109.2°
C14C13C12123.8°107.8°
C14C13H131107.1°109.9°
C14C13H132107.1°109.9°
C22C18C26117.7°120.1°
C18C22C23123.2°120.1°
C18C22HC22121.6°120.0°
C18C26C25119.6°120.1°
C18C26HC26120.8°119.9°
C23C22HC22115.2°120.0°
C22C23C24120.5°119.9°
C22C23HC23117.5°120.1°
C24C23HC23122.0°120.0°
C23C24N27124.2°120.1°
C23C24C25116.8°119.9°
N27C24C25118.8°120.1°
C24N27C29117.9°120.0°
C24N27C28122.2°120.0°
C24C25C26122.2°119.9°
C24C25HC25121.3°120.0°
C29N27C28117.0°120.0°
N27C29H291109.2°109.5°
N27C29H292117.9°109.5°
N27C29H293109.2°109.4°
N27C28H281107.7°109.5°
N27C28H282122.2°109.5°
N27C28H283107.7°109.5°
H291C29H292109.2°109.5°
H291C29H293100.9°109.5°
H292C29H293109.1°109.5°
H281C28H282107.7°109.4°
H281C28H283102.2°109.4°
H282C28H283107.7°109.5°
C26C25HC25116.6°120.1°
C25C26HC26119.6°120.0°
C12C13H131107.1°110.5°
C12C13H132107.1°108.8°
C13C12C19104.1°109.9°
C13C12C17114.2°116.3°
C13C12C11104.5°107.1°
H131C13H132102.6°110.0°
C19C12C17106.6°109.8°
C19C12C11121.7°110.2°
C12C19H191114.2°109.5°
C12C19H192104.1°109.5°
C12C19H193114.2°109.5°
C17C12C11106.1°103.3°
C12C17C31117.5°110.3°
C12C17O3112.9°110.3°
C12C17C1694.3°105.5°
C12C11C1594.6°101.8°
C12C11C9113.2°108.2°
C12C11HC11119.1°110.7°
H191C19H192114.2°109.5°
H191C19H19396.2°109.5°
H192C19H193114.2°109.4°
C31C17O3111.6°110.2°
C31C17C16107.2°110.2°
C17C31C30158.7°179.9°
O3C17C16111.9°110.3°
C17O3HO3112.8°106.8°
C17C16C15107.8°106.4°
C17C16H161112.8°110.1°
C17C16H162112.8°110.1°
C31C30C32158.5°180.0°
C30C32H32196.2°109.4°
C30C32H322158.5°109.4°
C30C32H32396.3°109.5°
H321C32H32296.2°109.5°
H321C32H323108.5°109.5°
H322C32H32396.2°109.5°
C15C16H161112.8°110.1°
C15C16H162112.8°110.0°
C16C15C11107.1°103.0°
C16C15H151113.1°110.7°
C16C15H152113.1°110.7°
H161C16H16297.6°110.1°
C11C15H151113.1°110.7°
C11C15H152113.1°110.7°
C15C11C9116.3°114.7°
C15C11HC11116.2°110.6°
H151C15H15297.4°110.8°
C9C11HC1198.7°110.5°
C11C9C8107.8°109.5°
C11C9HC9116.4°108.9°
C8C9HC9103.7°108.9°
C9C8HC81111.7°109.0°
C9C8HC82111.8°109.1°
HC81C8HC8298.6°109.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O30C2C1C3176.3°180.0°
O30C2C1C6110.2°142.8°
O30C2C1HC1A15.0°97.1°
O30C2C1HC12124.5°22.7°
O30C2C3C4153.3°171.7°
O30C2C3HC326.7°8.3°
C2C1C6HC1A125.2°120.2°
C2C1C6HC12125.3°120.1°
C2C1HC1AHC12121.5°119.8°
C1C2C3C423.1°8.4°
C1C2C3HC3156.9°171.7°
C2C1C6C578.3°50.5°
C2C1C6HC6147.0°170.3°
C2C1C6HC62156.5°69.3°
C3C2C1C666.1°37.3°
C3C2C1HC1A168.7°82.9°
C3C2C1HC1259.2°157.3°
C2C3C4HC3180.0°180.0°
C2C3C4C7177.6°175.5°
C2C3C4C53.7°4.8°
C6C1HC1AHC12121.5°119.7°
C1C6C5C465.2°41.7°
C1C6C5HC61125.2°119.8°
C1C6C5HC62125.3°119.8°
C1C6C5C10111.0°138.6°
C1C6HC61HC62123.5°120.3°
HC1AC1C6C5156.5°69.7°
HC1AC1C6HC6178.3°50.1°
HC1AC1C6HC6231.2°170.5°
HC12C1C6C547.0°170.6°
HC12C1C6HC61172.2°69.6°
HC12C1C6HC6278.3°50.8°
C3C4C7C5173.5°179.7°
C3C4C7C8120.8°137.8°
C3C4C7HC714.4°18.2°
C3C4C7HC72113.9°102.6°
C3C4C5C625.9°13.7°
C3C4C5C10150.8°166.6°
HC3C3C4C72.4°4.5°
HC3C3C4C5176.3°175.2°
C4C7C8HC71125.3°119.6°
C4C7C8HC72125.3°119.6°
C4C7HC71HC72119.9°120.7°
C7C4C5C6160.7°166.0°
C7C4C5C1022.6°13.7°
C4C7C8C956.2°57.7°
C4C7C8HC8169.1°62.8°
C4C7C8HC82178.5°178.2°
C5C4C7C852.6°42.5°
C5C4C7HC71177.9°162.1°
C5C4C7HC7272.6°77.1°
C4C5C6C10176.3°179.7°
C4C5C6HC6160.0°161.5°
C4C5C6HC62169.5°78.1°
C4C5C10C14178.8°176.7°
C4C5C10C90.5°1.3°
C8C7HC71HC72119.9°120.9°
C7C8C9C1041.3°45.3°
C7C8C9C11160.8°165.1°
C7C8C9HC81125.3°120.6°
C7C8C9HC82125.3°120.5°
C7C8C9HC975.3°75.8°
C7C8HC81HC82117.6°119.0°
HC71C7C8C9178.5°177.3°
HC71C7C8HC8156.2°56.8°
HC71C7C8HC8253.2°62.2°
HC72C7C8C969.1°61.9°
HC72C7C8HC81165.7°177.6°
HC72C7C8HC8256.2°58.6°
C5C6HC61HC62123.5°120.3°
C6C5C10C142.6°3.0°
C6C5C10C9175.7°179.0°
C10C5C6HC61123.7°18.8°
C10C5C6HC6214.2°101.6°
C5C10C14C9178.3°178.1°
C5C10C14C1888.1°101.7°
C5C10C14C13148.3°138.0°
C5C10C14HC1431.4°17.7°
C5C10C9C11130.2°136.1°
C5C10C9C89.6°15.2°
C5C10C9HC9105.8°105.9°
C10C14C18C13122.4°121.3°
C10C14C18HC14120.8°119.4°
C10C14C13HC14120.7°120.3°
C10C14C18C228.9°166.1°
C10C14C18C26177.2°14.2°
C10C14C13C1230.6°52.6°
C10C14C13H131155.9°67.9°
C10C14C13H13294.6°171.0°
C14C10C9C1148.3°45.9°
C14C10C9C8168.8°166.9°
C14C10C9HC975.7°72.0°
C9C10C14C1893.6°76.4°
C9C10C14C1330.0°43.9°
C9C10C14HC14146.9°164.2°
C10C9C11C1268.7°56.9°
C10C9C11C15176.8°169.7°
C10C9C11C8127.0°122.9°
C10C9C11HC9117.1°118.0°
C10C9C11HC1158.2°64.4°
C10C9C8HC9116.6°121.1°
C10C9C8HC8184.0°75.3°
C10C9C8HC82166.5°165.8°
C18C14C13HC14119.3°119.4°
C14C18C22C26174.2°179.7°
C14C18C22C23175.8°180.0°
C14C18C22HC224.2°0.0°
C14C18C26C25176.0°179.7°
C14C18C26HC264.0°0.2°
C18C14C13C1289.4°67.7°
C18C14C13H13135.9°171.8°
C18C14C13H132145.3°50.7°
C13C14C18C22113.5°44.8°
C13C14C18C2660.4°135.5°
C14C13C12H131125.3°120.1°
C14C13C12H132125.2°119.1°
C14C13H131H132112.6°121.1°
C14C13C12C1982.7°52.1°
C14C13C12C17161.4°177.5°
C14C13C12C1145.9°67.6°
HC14C14C18C22129.7°74.6°
HC14C14C18C2656.4°105.1°
HC14C14C13C12151.3°172.9°
HC14C14C13H13183.4°52.4°
HC14C14C13H13226.0°68.7°
C18C22C23HC22180.0°180.0°
C18C22C23C241.6°0.1°
C18C22C23HC23178.4°180.0°
C22C18C26C252.0°0.6°
C22C18C26HC26178.0°179.9°
C26C18C22C231.6°0.3°
C26C18C22HC22178.4°179.7°
C18C26C25C242.5°0.6°
C18C26C25HC26180.0°179.5°
C18C26C25HC25177.5°179.8°
C22C23C24HC23180.0°179.9°
C22C23C24N27176.6°180.0°
C22C23C24C251.9°0.1°
HC22C22C23C24178.4°180.0°
HC22C22C23HC231.6°0.0°
C23C24N27C25174.6°179.8°
C23C24N27C29177.9°6.1°
C23C24N27C2818.1°173.9°
C23C24C25C262.4°0.4°
C23C24C25HC25177.6°180.0°
HC23C23C24N273.4°0.1°
HC23C23C24C25178.1°179.9°
C24N27C29C28160.9°179.9°
C24N27C29H29154.7°5.1°
C24N27C29H292180.0°114.9°
C24N27C29H29354.7°125.1°
C24N27C28H28154.8°4.7°
C24N27C28H282180.0°124.7°
C24N27C28H28354.7°115.3°
N27C24C25C26177.4°179.8°
N27C24C25HC252.6°0.2°
C25C24N27C293.3°174.0°
C25C24N27C28156.5°5.9°
C24C25C26HC25180.0°179.6°
C24C25C26HC26177.5°179.9°
N27C29H291H292130.2°120.0°
N27C29H291H293114.9°120.0°
N27C29H292H293125.3°120.0°
C29N27C28H281145.2°175.3°
C29N27C28H28220.0°55.3°
C29N27C28H283105.3°64.7°
C28N27C29H291106.2°174.9°
C28N27C29H29219.1°65.0°
C28N27C29H293144.3°55.0°
N27C28H281H282133.5°120.0°
N27C28H281H283113.2°120.0°
N27C28H282H283125.3°120.0°
H291C29H292H293109.5°120.0°
H281C28H282H283109.5°120.0°
HC25C25C26HC262.5°0.3°
C12C13H131H132112.6°120.1°
C13C12C19C17121.1°129.1°
C13C12C19C11117.4°117.8°
C13C12C17C11114.6°117.0°
C13C12C19H19154.7°72.7°
C13C12C19H192180.0°167.3°
C13C12C19H19354.7°47.3°
C13C12C17C3156.3°26.6°
C13C12C17O375.8°95.2°
C13C12C17C16168.3°145.7°
C13C12C11C15172.9°167.0°
C13C12C11C965.9°71.8°
C13C12C11HC1149.4°49.5°
H131C13C12C1942.5°172.2°
H131C13C12C1773.3°62.3°
H131C13C12C11171.2°52.5°
H132C13C12C19152.0°67.0°
H132C13C12C1736.1°58.5°
H132C13C12C1179.3°173.3°
C19C12C17C11131.0°117.5°
C12C19H191H192119.7°120.0°
C12C19H191H193120.1°120.0°
C12C19H192H193125.3°120.0°
C19C12C17C31170.8°152.2°
C19C12C17O338.7°30.3°
C19C12C17C1677.3°88.8°
C19C12C11C1569.9°73.5°
C19C12C11C951.3°47.7°
C19C12C11HC11166.6°168.9°
C17C12C19H191175.8°158.2°
C17C12C19H19258.9°38.2°
C17C12C19H19366.4°81.8°
C12C17C31O3132.7°121.9°
C12C17C31C16104.5°116.1°
C12C17O3C16104.9°116.2°
C12C17C31C3081.7°38.1°
C12C17O3HO3180.0°178.8°
C12C17C16C1532.5°3.1°
C12C17C16H16192.7°122.4°
C12C17C16H162157.8°116.0°
C17C12C11C1551.9°43.8°
C17C12C11C9173.1°165.0°
C17C12C11HC1171.6°73.8°
C11C12C19H19162.6°45.1°
C11C12C19H19262.6°75.0°
C11C12C19H193172.1°165.1°
C11C12C17C3158.3°90.3°
C11C12C17O3169.7°147.8°
C11C12C17C1653.7°28.7°
C12C11C15C1627.8°41.3°
C12C11C15C9118.8°116.5°
C12C11C15HC11125.7°117.7°
C12C11C15H15197.5°159.6°
C12C11C15H152153.0°77.1°
C12C11C9HC11126.9°121.4°
C12C11C9C8164.3°179.9°
C12C11C9HC948.4°61.1°
H191C19H192H193109.4°120.0°
C31C17O3C16120.2°121.9°
C17C31C30C32164.9°148.9°
C31C17O3HO345.1°59.3°
C31C17C16C1588.0°115.9°
C31C17C16H161146.7°3.3°
C31C17C16H16237.3°124.9°
O3C17C31C3051.0°160.0°
O3C17C16C15149.3°122.2°
O3C17C16H16124.0°118.5°
O3C17C16H16285.4°3.1°
C16C17C31C30173.9°78.0°
C16C17O3HO375.1°62.6°
C17C16C15H161125.2°119.3°
C17C16C15H162125.3°119.2°
C17C16H161H162118.8°121.5°
C17C16C15C113.0°23.9°
C17C16C15H151128.3°142.3°
C17C16C15H152122.3°94.5°
C31C30C32H32154.7°129.0°
C31C30C32H322180.0°111.0°
C31C30C32H32354.7°9.0°
C30C32H321H322162.5°120.0°
C30C32H321H32398.8°120.0°
C30C32H322H323125.3°120.0°
H321C32H322H323109.5°120.1°
C15C16H161H162118.7°121.4°
C16C15C11H151125.3°118.4°
C16C15C11H152125.3°118.4°
C16C15H151H152119.0°123.2°
C16C15C11C9146.6°157.8°
C16C15C11HC1197.9°76.4°
H161C16C15C11122.2°95.4°
H161C16C15H1513.0°23.0°
H161C16C15H152112.5°146.3°
H162C16C15C11128.3°143.1°
H162C16C15H151106.5°98.5°
H162C16C15H1523.0°24.7°
C11C15H151H152119.1°123.2°
C15C11C9HC11125.0°125.8°
C15C11C9C856.2°67.3°
C15C11C9HC959.7°51.7°
H151C15C11C921.3°83.8°
H151C15C11HC11136.8°42.0°
H152C15C11C988.2°39.4°
H152C15C11HC1127.3°165.2°
C11C9C8HC9123.9°119.0°
C11C9C8HC8135.5°44.6°
C11C9C8HC8274.0°74.4°
HC11C11C9C868.8°58.5°
HC11C11C9HC9175.3°177.5°
C9C8HC81HC82117.7°119.0°
HC9C9C8HC81159.4°163.6°
HC9C9C8HC8250.0°44.6°

218500

PDB entries from 2024-04-17

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