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QGA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C9C12sing1.53Å1.56Å
C12C15sing1.53Å1.56Å
C15C18sing1.53Å1.56Å
C18C21sing1.53Å1.56Å
C21C24sing1.53Å1.57Å
C24C27sing1.53Å1.57Å
C27C30sing1.52Å1.55Å
C30N33sing1.40Å1.46Å
C30O34doub1.23Å1.24Å
N33C35sing1.47Å1.50Å
N33C36sing1.45Å1.51Å
C36C37sing1.53Å1.55Å
C37C40sing1.54Å1.56Å
C40C41sing1.55Å1.59Å
C41C42sing1.54Å1.57Å
C42C43sing1.53Å1.55Å
C43O44sing1.42Å1.44Å
C37O47sing1.43Å1.43Å
C40O49sing1.43Å1.45Å
C41O51sing1.43Å1.44Å
C42O53sing1.43Å1.44Å
C35C60sing1.52Å1.56Å
C60O63sing1.42Å1.43Å
C9C1sing1.53Å1.56Å
C21C1sing1.53Å1.56Å
C9H9C1sing1.10Å1.12Å
C9H9C2sing1.10Å1.11Å
C12H121sing1.10Å1.11Å
C12H122sing1.10Å1.11Å
C1H1C1sing1.10Å1.12Å
C1H1C2sing1.10Å1.12Å
C15H151sing1.10Å1.12Å
C15H152sing1.10Å1.12Å
C18H181sing1.10Å1.11Å
C18H182sing1.10Å1.11Å
C21H21sing1.10Å1.11Å
C24H241sing1.10Å1.12Å
C24H242sing1.10Å1.11Å
C27H271sing1.10Å1.12Å
C27H272sing1.10Å1.12Å
C35H351sing1.09Å1.12Å
C35H352sing1.09Å1.12Å
C36H361sing1.09Å1.12Å
C36H362sing1.10Å1.12Å
C60H601sing1.09Å1.11Å
C60H602sing1.10Å1.11Å
C37H37sing1.10Å1.12Å
C40H40sing1.10Å1.11Å
O47H47sing0.97Å0.95Å
C41H41sing1.10Å1.11Å
O49H49sing0.97Å0.95Å
C42H42sing1.10Å1.11Å
O51H51sing0.97Å0.95Å
C43H431sing1.10Å1.11Å
C43H432sing1.10Å1.12Å
O53H53sing0.97Å0.95Å
O44H44sing0.97Å0.95Å
O63H63sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C9C12C15110.3°111.6°
C12C9C1110.1°111.6°
C12C9H9C1112.0°109.5°
C12C9H9C2112.0°109.6°
C9C12H121111.9°109.5°
C9C12H122111.9°109.7°
C12C15C18110.7°111.6°
C15C12H121111.9°109.4°
C15C12H122111.9°109.6°
C12C15H151111.8°109.7°
C12C15H152111.8°109.4°
C15C18C21111.2°111.7°
C18C15H151111.8°109.6°
C18C15H152111.8°109.4°
C15C18H181111.6°109.3°
C15C18H182111.6°109.3°
C18C21C24108.3°110.7°
C18C21C1109.2°110.9°
C21C18H181111.6°109.8°
C21C18H182111.6°109.9°
C18C21H21111.2°108.5°
C21C24C27116.9°111.5°
C24C21C1111.7°110.7°
C24C21H21108.7°107.5°
C21C24H241109.5°109.3°
C21C24H242109.5°109.2°
C24C27C30114.1°112.6°
C27C24H241109.5°109.9°
C27C24H242109.5°109.9°
C24C27H271110.5°109.1°
C24C27H272110.6°109.2°
C27C30N33120.3°116.6°
C27C30O34119.2°120.4°
C30C27H271110.5°108.4°
C30C27H272110.5°108.4°
N33C30O34120.5°122.9°
C30N33C35117.4°124.5°
C30N33C36121.8°120.0°
C35N33C36120.7°115.5°
N33C35C60117.9°109.6°
N33C35H351109.2°108.2°
N33C35H352109.2°108.2°
N33C36C37117.4°109.8°
N33C36H361109.3°108.2°
N33C36H362109.3°108.5°
C36C37C40110.3°112.0°
C36C37O47108.9°108.5°
C37C36H361109.3°111.4°
C37C36H362109.3°110.6°
C36C37H37109.6°109.6°
C37C40C41111.2°113.5°
C40C37O47110.4°109.2°
C37C40O49108.5°109.0°
C40C37H37108.0°109.3°
C37C40H40109.0°108.2°
C40C41C42111.4°113.1°
C41C40O49109.4°109.1°
C40C41O51110.2°110.1°
C41C40H40108.0°108.8°
C40C41H41107.3°109.3°
C41C42C43110.5°113.5°
C42C41O51108.5°108.3°
C41C42O53111.8°109.2°
C42C41H41109.1°108.2°
C41C42H42106.8°108.8°
C42C43O44109.6°110.2°
C43C42O53108.5°108.5°
C43C42H42110.2°108.9°
C42C43H431112.2°111.5°
C42C43H432112.2°110.1°
O44C43H431112.1°109.3°
O44C43H432112.2°108.6°
C43O44H44109.6°107.0°
O47C37H37109.5°108.1°
C37O47H47108.9°106.5°
O49C40H40110.8°108.1°
C40O49H49108.5°106.5°
O51C41H41110.4°107.8°
C41O51H51110.2°106.5°
O53C42H42108.9°107.9°
C42O53H53111.8°106.4°
C35C60O63110.6°109.4°
C60C35H351109.2°111.2°
C60C35H352109.2°110.4°
C35C60H601111.8°110.1°
C35C60H602111.8°111.6°
O63C60H601111.8°108.0°
O63C60H602111.8°108.7°
C60O63H63110.6°106.7°
C9C1C21109.8°111.7°
C1C9H9C1112.0°109.5°
C1C9H9C2112.0°109.6°
C9C1H1C1112.1°109.3°
C9C1H1C2112.1°109.3°
C21C1H1C1112.1°109.8°
C21C1H1C2112.1°109.8°
C1C21H21107.8°108.5°
H9C1C9H9C298.4°106.9°
H121C12H12298.5°106.9°
H1C1C1H1C298.3°106.8°
H151C15H15298.6°107.0°
H181C18H18298.8°106.8°
H241C24H242100.6°106.9°
H271C27H27299.8°109.0°
H351C35H352100.9°109.1°
H361C36H362100.8°108.3°
H601C60H60298.6°109.0°
H431C43H43298.3°107.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C9C12C15H121125.3°121.3°
C9C12C15H122125.3°121.7°
C9C12C15C1856.1°54.5°
C12C9C1H9C1125.3°121.4°
C12C9C1H9C2125.2°121.7°
C12C9C1C2160.2°54.8°
C12C9H9C1H9C2117.9°118.7°
C9C12H121H122117.8°118.8°
C12C9C1H1C165.1°176.6°
C12C9C1H1C2174.6°66.9°
C9C12C15H15169.1°176.1°
C9C12C15H152178.6°66.8°
C12C15C18H151125.3°121.7°
C12C15C18H152125.2°121.3°
C12C15C18C2156.5°54.8°
C15C12C9C158.2°54.5°
C15C12C9H9C1176.5°66.9°
C15C12C9H9C267.1°176.2°
C15C12H121H122117.8°118.6°
C12C15H151H152117.7°118.6°
C12C15C18H181178.3°66.8°
C12C15C18H18268.8°176.6°
C15C18C21H181125.3°121.3°
C15C18C21H182125.3°121.5°
C15C18C21C24179.7°177.8°
C15C18C21C157.9°54.6°
C18C15C12H121178.6°66.8°
C18C15C12H12269.1°176.2°
C18C15H151H152117.7°118.5°
C15C18H181H182117.5°118.2°
C15C18C21H2160.9°64.4°
C18C21C24C1120.3°123.3°
C18C21C24H21120.9°118.3°
C18C21C24C27179.3°174.9°
C18C21C1C959.5°54.6°
C18C21C1H21120.9°119.0°
C18C21C1H1C165.8°176.1°
C18C21C1H1C2175.2°66.8°
C21C18C15H15168.8°176.5°
C21C18C15H152178.3°66.5°
C21C18H181H182117.5°119.1°
C18C21C24H24154.1°63.3°
C18C21C24H24255.4°53.2°
C21C24C27H241125.2°121.3°
C21C24C27H242125.3°121.3°
C21C24C27C30149.1°178.7°
C24C21C1C9179.2°177.8°
C24C21C1H21119.3°117.8°
C24C21C1H1C154.0°60.7°
C24C21C1H1C255.5°56.4°
C24C21C18H18155.0°56.5°
C24C21C18H18254.4°60.7°
C21C24H241H242115.3°118.1°
C21C24C27H27123.9°60.8°
C21C24C27H27285.6°58.2°
C24C27C30H271125.3°120.9°
C24C27C30H272125.3°120.9°
C24C27C30N33175.4°180.0°
C24C27C30O344.2°0.1°
C27C24C21C160.4°61.7°
C27C24C21H2158.4°56.6°
C27C24H241H242115.3°119.3°
C24C27H271H272116.4°119.1°
C27C30N33O34179.6°179.9°
C27C30N33C350.3°0.1°
C27C30N33C36179.0°179.6°
C30C27C24H24185.6°60.0°
C30C27C24H24223.9°57.4°
C30C27H271H272116.4°117.9°
C30N33C35C36179.3°179.7°
C30N33C36C3798.1°90.0°
C30N33C35C60179.6°90.0°
N33C30C27H27150.1°59.1°
N33C30C27H27259.4°59.1°
C30N33C35H35154.3°31.5°
C30N33C35H35255.2°149.6°
C30N33C36H36127.1°148.3°
C30N33C36H362136.6°31.0°
O34C30N33C35179.9°180.0°
O34C30N33C360.6°0.3°
O34C30C27H271129.5°120.8°
O34C30C27H272121.0°121.0°
C35N33C36C3782.5°90.3°
N33C35C60H351125.3°119.6°
N33C35C60H352125.3°119.0°
N33C35C60O63134.5°58.5°
N33C35H351H352114.9°117.5°
C35N33C36H361152.2°31.4°
C35N33C36H36242.7°148.7°
N33C35C60H6019.2°59.9°
N33C35C60H602100.2°178.9°
N33C36C37H361125.2°119.8°
N33C36C37H362125.3°119.8°
N33C36C37C40178.8°179.8°
N33C36C37O4759.9°59.5°
C36N33C35C600.2°89.7°
C36N33C35H351125.0°148.8°
C36N33C35H352125.5°30.7°
N33C36H361H362115.1°117.4°
N33C36C37H3759.9°58.4°
C36C37C40O47120.4°120.2°
C36C37C40H37119.8°121.6°
C36C37C40C41179.3°59.2°
C36C37O47H37119.9°118.8°
C36C37C40O4958.9°62.7°
C37C36H361H362115.1°121.8°
C36C37C40H4061.7°180.0°
C36C37O47H47180.0°35.5°
C37C40C41O49119.8°121.8°
C37C40C41H40119.5°120.5°
C37C40C41C42179.6°179.5°
C40C37O47H37118.9°118.9°
C37C40O49H40119.5°117.4°
C37C40C41O5160.0°58.2°
C40C37C36H36156.0°60.0°
C40C37C36H36253.5°60.4°
C40C37O47H4758.8°86.8°
C37C40C41H4160.2°60.0°
C37C40O49H49180.0°120.5°
C40C41C42O51121.5°122.3°
C40C41C42H41118.3°121.2°
C40C41C42C43179.6°58.9°
C41C40C37O4760.3°179.4°
C41C40O49H40118.9°118.2°
C40C41O51H41118.3°119.1°
C40C41C42O5358.6°180.0°
C41C40C37H3759.5°62.4°
C41C40O49H4958.5°3.9°
C40C41C42H4260.4°62.5°
C40C41O51H51180.0°39.7°
C41C42C43O53123.0°121.6°
C41C42C43H42117.9°121.3°
C41C42C43O44179.9°178.4°
C42C41C40O4959.7°58.7°
C42C41O51H41119.4°116.8°
C41C42O53H42117.8°118.1°
C42C41C40H4060.9°59.0°
C42C41O51H5157.7°84.4°
C41C42C43H43154.7°60.0°
C41C42C43H43254.8°58.6°
C41C42O53H53180.0°44.4°
C42C43O44H431125.3°122.9°
C42C43O44H432125.3°120.7°
C43C42C41O5158.9°63.4°
C43C42O53H42120.0°117.8°
C43C42C41H4161.4°180.0°
C42C43H431H432118.1°120.5°
C43C42O53H5357.8°168.5°
C42C43O44H44180.0°49.1°
O44C43C42O5357.0°60.0°
O44C43C42H4262.2°57.1°
O44C43H431H432118.1°117.5°
O47C37C40O49179.3°57.6°
O47C37C36H36165.4°179.3°
O47C37C36H362174.9°60.3°
O47C37C40H4058.7°59.7°
O49C40C41O51179.8°180.0°
O49C40C37H3760.9°175.7°
O49C40C41H4159.6°61.8°
O51C41C42O53179.9°57.7°
O51C41C40H4059.5°62.3°
O51C41C42H4261.0°175.2°
O53C42C41H4159.7°58.8°
O53C42C43H43168.3°61.6°
O53C42C43H432177.8°179.8°
C35C60O63H601125.3°119.8°
C35C60O63H602125.3°122.1°
C60C35H351H352114.9°122.1°
C35C60H601H602117.7°122.7°
C35C60O63H63180.0°159.4°
O63C60C35H351100.2°178.2°
O63C60C35H3529.3°60.5°
O63C60H601H602117.7°118.0°
C9C1C21H1C1125.3°121.4°
C9C1C21H1C2125.3°121.4°
C1C9H9C1H9C2117.9°118.7°
C1C9C12H121176.5°66.7°
C1C9C12H12267.1°176.2°
C9C1H1C1H1C2118.0°118.2°
C9C1C21H2161.4°64.4°
C21C1C9H9C1174.6°66.5°
C21C1C9H9C265.1°176.5°
C21C1H1C1H1C2118.0°119.0°
C1C21C18H181176.8°66.7°
C1C21C18H18267.4°176.1°
C1C21C24H241174.4°60.0°
C1C21C24H24264.9°176.6°
H9C1C9C12H12151.2°171.9°
H9C1C9C12H12258.2°54.8°
H9C1C9C1H1C160.2°55.2°
H9C1C9C1H1C249.3°171.8°
H9C2C9C12H12158.2°54.9°
H9C2C9C12H122167.7°62.1°
H9C2C9C1H1C1169.7°61.8°
H9C2C9C1H1C260.2°54.8°
H121C12C15H15156.1°54.8°
H121C12C15H15253.3°171.9°
H122C12C15H151165.6°62.1°
H122C12C15H15256.1°55.0°
H1C1C1C21H21173.3°57.1°
H1C2C1C21H2163.8°174.2°
H151C15C18H18156.5°54.9°
H151C15C18H182166.0°61.7°
H152C15C18H18153.0°171.9°
H152C15C18H18256.5°55.3°
H181C18C21H2164.3°174.3°
H182C18C21H21173.8°57.1°
H21C21C24H24166.8°178.3°
H21C21C24H242176.3°65.1°
H241C24C27H271149.1°60.5°
H241C24C27H27239.6°179.5°
H242C24C27H271101.4°177.9°
H242C24C27H272149.1°63.1°
H351C35C60H601134.5°59.7°
H351C35C60H60225.0°61.5°
H352C35C60H601116.0°179.0°
H352C35C60H602134.5°59.8°
H361C36C37H37174.8°61.4°
H362C36C37H3765.3°178.1°
H601C60O63H6354.7°39.7°
H602C60O63H6354.7°78.5°
H37C37C40H40178.5°58.4°
H37C37O47H4760.1°154.3°
H40C40C41H41179.7°179.5°
H40C40O49H4960.5°122.1°
H41C41C42H42178.7°58.7°
H41C41O51H5161.7°158.8°
H42C42C43H431172.5°178.7°
H42C42C43H43263.1°62.7°
H42C42O53H5362.2°73.7°
H431C43O44H4454.7°172.0°
H432C43O44H4454.7°71.6°

222415

PDB entries from 2024-07-10

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