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TBA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C11sing1.48Å1.58Å
N1C21sing1.54Å1.60Å
N1C31sing1.53Å1.56Å
N1C41sing1.54Å1.61Å
C11C12sing1.52Å1.55Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C12C13sing1.53Å83.18Å
C12H121sing1.10Å1.10Å
C12H122sing1.10Å1.10Å
C21C22sing1.52Å1.57Å
C21H211sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
C22C23sing1.53Å80.58Å
C22H221sing1.10Å1.10Å
C22H222sing1.10Å1.10Å
C31C32sing1.52Å1.62Å
C31H311sing1.09Å1.10Å
C31H312sing1.09Å1.10Å
C32C33sing1.53Å79.40Å
C32H321sing1.10Å1.10Å
C32H322sing1.10Å1.10Å
C41C42sing1.52Å1.66Å
C41H411sing1.09Å1.10Å
C41H412sing1.09Å1.10Å
C42C43sing1.53Å82.17Å
C42H421sing1.10Å1.10Å
C42H422sing1.10Å1.10Å
C13C14sing1.52Å0.00Å
C13H131sing1.10Å0.00Å
C13H132sing1.10Å0.00Å
C14H141sing1.09Å0.00Å
C14H142sing1.10Å0.00Å
C14H143sing1.09Å0.00Å
C23C24sing1.52Å0.00Å
C23H231sing1.10Å0.00Å
C23H232sing1.10Å0.00Å
C24H241sing1.09Å0.00Å
C24H242sing1.10Å0.00Å
C24H243sing1.09Å0.00Å
C33C34sing1.52Å0.00Å
C33H331sing1.10Å0.00Å
C33H332sing1.10Å0.00Å
C34H341sing1.10Å0.00Å
C34H342sing1.09Å0.00Å
C34H343sing1.09Å0.00Å
C43C44sing1.52Å0.00Å
C43H431sing1.10Å0.00Å
C43H432sing1.10Å0.00Å
C44H441sing1.10Å0.00Å
C44H442sing1.09Å0.00Å
C44H443sing1.10Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C11N1C21102.8°110.8°
C11N1C31110.3°110.9°
C11N1C41107.5°110.8°
N1C11C12115.3°109.1°
N1C11H111107.6°106.9°
N1C11H112106.2°106.9°
C21N1C31122.5°108.1°
C21N1C41104.6°108.0°
N1C21C22115.0°109.2°
N1C21H211107.7°106.9°
N1C21H212106.4°106.9°
C31N1C41108.3°108.1°
N1C31C32119.9°109.2°
N1C31H311106.1°106.9°
N1C31H312103.7°106.9°
N1C41C42124.0°109.1°
N1C41H411104.9°106.9°
N1C41H412101.5°106.8°
C12C11H111107.6°112.0°
C12C11H112106.3°112.1°
C11C12C1319.1°111.0°
C11C12H121161.4°109.8°
C11C12H122162.0°109.8°
H111C11H112114.2°109.7°
C13C12H121161.4°109.6°
C13C12H122162.0°109.6°
C12C13C1490.0°111.5°
C12C13H13190.0°109.8°
C12C13H13290.0°109.8°
H121C12H12231.4°107.0°
C22C21H211107.7°112.0°
C22C21H212106.4°112.0°
C21C22C23112.7°111.1°
C21C22H221108.4°109.8°
C21C22H222107.7°109.8°
H211C21H212113.9°109.7°
C23C22H221108.4°109.6°
C23C22H222107.7°109.6°
C22C23C2490.0°111.5°
C22C23H23190.0°109.8°
C22C23H23290.0°109.9°
H221C22H222112.0°106.9°
C32C31H311106.1°112.0°
C32C31H312103.7°112.0°
C31C32C3394.7°111.0°
C31C32H321114.7°109.8°
C31C32H322117.6°109.8°
H311C31H312118.1°109.6°
C33C32H321114.7°109.5°
C33C32H322117.6°109.6°
C32C33C3490.0°111.5°
C32C33H33190.0°109.9°
C32C33H33290.0°109.9°
H321C32H32298.7°107.0°
C42C41H411104.9°112.0°
C42C41H412101.5°112.0°
C41C42C4378.1°111.0°
C41C42H421121.7°109.8°
C41C42H422126.5°109.8°
H411C41H412121.7°109.7°
C43C42H421121.6°109.6°
C43C42H422126.5°109.6°
C42C43C4490.0°111.5°
C42C43H43190.0°109.9°
C42C43H43290.0°109.9°
H421C42H42287.5°107.0°
C14C13H13190.0°109.2°
C14C13H13290.0°109.2°
C13C14H14190.0°111.0°
C13C14H14290.0°111.0°
C13C14H14390.0°110.3°
H131C13H13290.0°107.3°
H141C14H14290.0°108.3°
H141C14H14390.0°108.1°
H142C14H14390.0°108.1°
C24C23H23190.0°109.1°
C24C23H23290.0°109.2°
C23C24H24190.0°111.0°
C23C24H24290.0°111.0°
C23C24H24390.0°110.3°
H231C23H23290.0°107.2°
H241C24H24290.0°108.3°
H241C24H24390.0°108.1°
H242C24H24390.0°108.1°
C34C33H33190.0°109.1°
C34C33H33290.0°109.2°
C33C34H34190.0°111.0°
C33C34H34290.0°111.0°
C33C34H34390.0°110.3°
H331C33H33290.0°107.2°
H341C34H34290.0°108.3°
H341C34H34390.0°108.1°
H342C34H34390.0°108.1°
C44C43H43190.0°109.2°
C44C43H43290.0°109.1°
C43C44H44190.0°111.0°
C43C44H44290.0°111.0°
C43C44H44390.0°110.2°
H431C43H43290.0°107.2°
H441C44H44290.0°108.4°
H441C44H44390.0°108.1°
H442C44H44390.0°108.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C11N1C21C31124.5°121.7°
C11N1C21C41112.2°121.6°
C11N1C31C41117.4°121.7°
N1C11C12H111120.0°118.1°
N1C11C12H112117.3°118.1°
N1C11H111H112117.6°115.5°
N1C11C12C1374.6°178.1°
N1C11C12H121165.4°60.5°
N1C11C12H12246.6°56.8°
C11N1C21C22179.5°60.0°
C11N1C21H21159.6°178.7°
C11N1C21H21262.9°61.3°
C11N1C31C3247.6°180.0°
C11N1C31H31172.4°58.7°
C11N1C31H312162.6°58.7°
C11N1C41C4261.9°60.0°
C11N1C41H411178.1°61.3°
C11N1C41H41250.6°178.7°
C21N1C31C41121.6°116.7°
C21N1C11C1252.2°60.0°
C21N1C11H11167.8°178.7°
C21N1C11H112169.6°61.4°
N1C21C22H211120.0°118.1°
N1C21C22H212117.5°118.2°
N1C21H211H212117.7°115.5°
N1C21C22C2366.9°178.1°
N1C21C22H221173.1°60.5°
N1C21C22H22251.7°56.8°
C21N1C31C32168.7°58.3°
C21N1C31H31148.7°63.0°
C21N1C31H31276.4°179.7°
C21N1C41C42170.7°178.4°
C21N1C41H41169.3°60.3°
C21N1C41H41258.2°57.1°
C31N1C11C12175.6°180.0°
C31N1C11H11164.4°58.7°
C31N1C11H11258.2°58.7°
C31N1C21C2255.1°61.6°
C31N1C21H21164.9°59.6°
C31N1C21H212172.6°177.0°
N1C31C32H311120.0°118.1°
N1C31C32H312114.9°118.2°
N1C31H311H312115.7°115.5°
N1C31C32C33171.8°178.1°
N1C31C32H32168.2°60.6°
N1C31C32H32247.2°56.8°
C31N1C41C4257.3°61.6°
C31N1C41H41162.7°177.1°
C31N1C41H412169.7°59.6°
C41N1C11C1257.8°60.0°
C41N1C11H111177.8°61.3°
C41N1C11H11259.6°178.7°
C41N1C21C2268.3°178.3°
C41N1C21H211171.7°57.0°
C41N1C21H21249.2°60.3°
C41N1C31C3269.7°58.3°
C41N1C31H311170.3°179.7°
C41N1C31H31245.2°63.0°
N1C41C42H411120.0°118.2°
N1C41C42H412112.5°118.1°
N1C41H411H412114.0°115.5°
N1C41C42C4356.6°178.1°
N1C41C42H421176.6°60.6°
N1C41C42H42270.3°56.8°
C12C11H111H112117.6°125.1°
C11C12C13H121120.0°121.5°
C11C12C13H122121.3°121.4°
C11C12H121H122148.7°119.1°
C11C12C13C1490.0°178.5°
C11C12C13H13190.0°57.4°
C11C12C13H13290.0°60.3°
H111C11C12C1345.4°60.0°
H111C11C12H12174.6°178.6°
H111C11C12H122166.6°61.3°
H112C11C12C13168.0°63.7°
H112C11C12H12148.1°57.6°
H112C11C12H12270.7°175.0°
C13C12H121H122148.6°118.7°
C12C13C14H13190.0°121.5°
C12C13C14H13290.0°121.5°
C12C13H131H13290.0°119.3°
C12C13C14H14190.0°60.3°
C12C13C14H14290.0°60.3°
C12C13C14H14390.0°180.0°
H121C12C13C1490.0°60.0°
H121C12C13H13190.0°178.9°
H121C12C13H13290.0°61.2°
H122C12C13C1490.0°57.1°
H122C12C13H13190.0°64.0°
H122C12C13H13290.0°178.3°
C22C21H211H212117.8°125.0°
C21C22C23H221120.0°121.5°
C21C22C23H222118.6°121.5°
C21C22H221H222118.7°119.1°
C21C22C23C2490.0°178.5°
C21C22C23H23190.0°57.4°
C21C22C23H23290.0°60.3°
H211C21C22C2353.1°60.0°
H211C21C22H22166.9°178.7°
H211C21C22H222171.7°61.4°
H212C21C22C23175.6°63.7°
H212C21C22H22155.6°57.7°
H212C21C22H22265.8°175.0°
C23C22H221H222118.7°118.7°
C22C23C24H23190.0°121.5°
C22C23C24H23290.0°121.6°
C22C23H231H23290.0°119.3°
C22C23C24H24190.0°60.3°
C22C23C24H24290.0°60.2°
C22C23C24H24390.0°180.0°
H221C22C23C2490.0°60.0°
H221C22C23H23190.0°178.8°
H221C22C23H23290.0°61.2°
H222C22C23C2490.0°57.0°
H222C22C23H23190.0°64.1°
H222C22C23H23290.0°178.2°
C32C31H311H312115.7°125.0°
C31C32C33H321120.0°121.5°
C31C32C33H322124.6°121.5°
C31C32H321H322125.9°119.1°
C31C32C33C3490.0°178.5°
C31C32C33H33190.0°57.4°
C31C32C33H33290.0°60.3°
H311C31C32C3351.8°60.0°
H311C31C32H321171.8°178.7°
H311C31C32H32272.8°61.3°
H312C31C32C3373.3°63.7°
H312C31C32H32146.7°57.6°
H312C31C32H322162.1°175.0°
C33C32H321H322125.9°118.7°
C32C33C34H33190.0°121.5°
C32C33C34H33290.0°121.6°
C32C33H331H33290.0°119.3°
C32C33C34H34190.0°60.3°
C32C33C34H34290.0°60.2°
C32C33C34H34390.0°180.0°
H321C32C33C3490.0°60.0°
H321C32C33H33190.0°178.9°
H321C32C33H33290.0°61.2°
H322C32C33C3490.0°57.0°
H322C32C33H33190.0°64.0°
H322C32C33H33290.0°178.3°
C42C41H411H412114.0°125.0°
C41C42C43H421120.0°121.5°
C41C42C43H422126.9°121.4°
C41C42H421H422132.3°119.1°
C41C42C43C4490.0°178.5°
C41C42C43H43190.0°57.4°
C41C42C43H43290.0°60.4°
H411C41C42C4363.4°60.0°
H411C41C42H42156.6°178.7°
H411C41C42H422169.7°61.3°
H412C41C42C43169.1°63.8°
H412C41C42H42170.9°57.5°
H412C41C42H42242.2°174.9°
C43C42H421H422132.3°118.7°
C42C43C44H43190.0°121.6°
C42C43C44H43290.0°121.5°
C42C43H431H43290.0°119.4°
C42C43C44H44190.0°60.3°
C42C43C44H44290.0°60.3°
C42C43C44H44390.0°180.0°
H421C42C43C4490.0°60.0°
H421C42C43H43190.0°178.8°
H421C42C43H43290.0°61.1°
H422C42C43C4490.0°57.1°
H422C42C43H43190.0°64.1°
H422C42C43H43290.0°178.2°
C14C13H131H13290.0°118.2°
C13C14H141H14290.0°122.1°
C13C14H141H14390.0°121.0°
C13C14H142H14390.0°121.0°
H131C13C14H14190.0°178.2°
H131C13C14H14290.0°61.3°
H131C13C14H14390.0°58.5°
H132C13C14H14190.0°61.2°
H132C13C14H14290.0°178.2°
H132C13C14H14390.0°58.5°
H141C14H142H14390.0°116.8°
C24C23H231H23290.0°118.1°
C23C24H241H24290.0°122.1°
C23C24H241H24390.0°121.0°
C23C24H242H24390.0°121.1°
H231C23C24H24190.0°178.2°
H231C23C24H24290.0°61.3°
H231C23C24H24390.0°58.5°
H232C23C24H24190.0°61.3°
H232C23C24H24290.0°178.2°
H232C23C24H24390.0°58.4°
H241C24H242H24390.0°116.9°
C34C33H331H33290.0°118.1°
C33C34H341H34290.0°122.1°
C33C34H341H34390.0°121.0°
C33C34H342H34390.0°121.1°
H331C33C34H34190.0°178.2°
H331C33C34H34290.0°61.3°
H331C33C34H34390.0°58.5°
H332C33C34H34190.0°61.3°
H332C33C34H34290.0°178.2°
H332C33C34H34390.0°58.4°
H341C34H342H34390.0°116.8°
C44C43H431H43290.0°118.1°
C43C44H441H44290.0°122.2°
C43C44H441H44390.0°121.0°
C43C44H442H44390.0°120.9°
H431C43C44H44190.0°178.1°
H431C43C44H44290.0°61.2°
H431C43C44H44390.0°58.4°
H432C43C44H44190.0°61.2°
H432C43C44H44290.0°178.1°
H432C43C44H44390.0°58.5°
H441C44H442H44390.0°116.9°

219869

PDB entries from 2024-05-15

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