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ZHT

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CNsing1.47Å1.47Å
C1Nsing1.47Å1.48Å
C2Nsing1.47Å1.47Å
C2C3sing1.53Å1.52Å
C3C4sing1.53Å1.53Å
C4N1sing1.47Å1.47Å
O2C24doub1.21Å1.25Å
O3C24sing1.35Å1.25Å
C10C9sing1.54Å1.52Å
C10N1sing1.51Å1.47Å
C9N3sing1.48Å1.47Å
N1C5sing1.48Å1.47Å
C24C23sing1.48Å1.50Å
C11N3sing1.47Å1.50Å
C11C12sing1.51Å1.51Å
N3C8sing1.51Å1.49Å
C5C6sing1.54Å1.52Å
C12C13doub1.39Å1.39ÅAromatic
C12N4sing1.32Å1.35ÅAromatic
C13C14sing1.39Å1.40ÅAromatic
N4C16doub1.33Å1.34ÅAromatic
C23N5doub1.33Å1.34ÅAromatic
C23C22sing1.39Å1.39ÅAromatic
N5C19sing1.31Å1.34ÅAromatic
C14C15doub1.39Å1.39ÅAromatic
C16C15sing1.39Å1.39ÅAromatic
C16C17sing1.48Å1.49Å
O1C17doub1.21Å1.25Å
C8C7sing1.54Å1.52Å
C6N2sing1.51Å1.47Å
C22C21doub1.39Å1.39ÅAromatic
N2C7sing1.48Å1.47Å
N2C18sing1.47Å1.48Å
C17Osing1.35Å1.25Å
C19C18sing1.51Å1.52Å
C19C20doub1.39Å1.39ÅAromatic
C21C20sing1.39Å1.40ÅAromatic
C1H11sing1.09Å1.10Å
C1H12sing1.09Å1.10Å
C1H13sing1.09Å1.10Å
C2H23sing1.09Å1.10Å
C2H22sing1.09Å1.10Å
C21H211sing1.08Å1.08Å
C3H31sing1.09Å1.10Å
C3H32sing1.09Å1.10Å
O3H4sing0.97Å0.95Å
C4H42sing1.09Å1.10Å
C4H41sing1.09Å1.10Å
C5H52sing1.09Å1.10Å
C5H51sing1.09Å1.10Å
C6H61sing1.09Å1.10Å
C6H62sing1.09Å1.10Å
C7H72sing1.09Å1.10Å
C7H71sing1.09Å1.10Å
C8H81sing1.09Å1.10Å
C8H82sing1.09Å1.10Å
C9H92sing1.09Å1.10Å
C9H91sing1.09Å1.10Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
CH3sing1.09Å1.10Å
CH2sing1.09Å1.10Å
CH1sing1.09Å1.10Å
OH6sing0.97Å0.95Å
C13H131sing1.08Å1.08Å
C14H141sing1.08Å1.08Å
C15H151sing1.08Å1.08Å
C18H182sing1.09Å1.10Å
C18H181sing1.09Å1.10Å
C20H201sing1.08Å1.08Å
C22H221sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CNC1110.7°111.0°
CNC2109.8°111.0°
NCH3109.5°109.4°
NCH2109.5°109.5°
NCH1109.5°109.5°
C1NC2108.6°111.0°
NC1H11109.5°109.5°
NC1H12109.5°109.5°
NC1H13109.5°109.4°
NC2C3108.3°109.4°
NC2H23109.8°109.5°
NC2H22109.7°109.5°
C2C3C4109.9°109.5°
C3C2H23109.8°109.5°
C3C2H22109.8°109.5°
C2C3H31109.4°109.5°
C2C3H32109.4°109.5°
C3C4N1111.5°109.5°
C4C3H31109.3°109.5°
C4C3H32109.3°109.5°
C3C4H42108.9°109.5°
C3C4H41108.9°109.5°
C4N1C10111.4°111.1°
C4N1C5109.7°111.0°
N1C4H42109.0°109.5°
N1C4H41109.0°109.5°
O2C24O3122.9°120.0°
O2C24C23120.8°120.0°
O3C24C23116.3°120.0°
C24O3H4109.5°117.0°
C9C10N1102.9°105.7°
C10C9N3122.8°116.9°
C10C9H92106.1°108.0°
C10C9H91106.1°108.0°
C9C10H101111.1°110.2°
C9C10H102111.1°110.2°
C10N1C5113.8°106.5°
N1C10H101111.1°110.3°
N1C10H102111.1°110.2°
C9N3C11107.2°111.0°
C9N3C8117.3°106.5°
N3C9H92106.1°108.0°
N3C9H91106.1°108.0°
N1C5C6112.2°116.9°
N1C5H52108.8°108.0°
N1C5H51108.8°107.9°
C24C23N5116.2°119.7°
C24C23C22123.2°119.8°
N3C11C12118.1°109.5°
C11N3C8112.6°111.0°
N3C11H111107.2°109.4°
N3C11H112107.3°109.5°
C11C12C13120.1°119.6°
C11C12N4120.8°119.5°
C12C11H111107.3°109.5°
C12C11H112107.3°109.5°
N3C8C7116.8°105.7°
N3C8H81107.6°110.2°
N3C8H82107.6°110.3°
C5C6N2110.5°105.6°
C6C5H52108.8°108.0°
C6C5H51108.8°108.0°
C5C6H61109.2°110.2°
C5C6H62109.2°110.2°
C13C12N4119.1°120.9°
C12C13C14119.6°119.4°
C12C13H131120.2°120.3°
C12N4C16122.7°121.6°
C13C14C15119.3°118.5°
C14C13H131120.2°120.3°
C13C14H141120.4°120.7°
N4C16C15120.5°120.6°
N4C16C17116.2°119.7°
N5C23C22120.6°120.5°
C23N5C19122.2°121.7°
C23C22C21118.6°119.1°
C23C22H221120.7°120.4°
N5C19C18118.1°119.6°
N5C19C20119.5°120.9°
C14C15C16118.9°119.0°
C15C14H141120.3°120.7°
C14C15H151120.6°120.5°
C15C16C17123.3°119.7°
C16C15H151120.5°120.5°
C16C17O1116.7°120.0°
C16C17O119.9°120.0°
O1C17O123.4°120.0°
C8C7N2109.0°116.8°
C8C7H72109.6°108.0°
C8C7H71109.6°107.9°
C7C8H81107.6°110.3°
C7C8H82107.6°110.2°
C6N2C7108.5°106.5°
C6N2C18110.3°111.0°
N2C6H61109.2°110.2°
N2C6H62109.2°110.2°
C22C21C20119.4°118.5°
C22C21H211120.3°120.8°
C21C22H221120.7°120.5°
C7N2C18111.3°111.0°
N2C7H72109.6°108.0°
N2C7H71109.6°107.9°
N2C18C19108.1°109.5°
N2C18H182109.8°109.4°
N2C18H181109.8°109.4°
C17OH6109.5°117.0°
C18C19C20122.4°119.5°
C19C18H182109.8°109.5°
C19C18H181109.8°109.5°
C19C20C21119.7°119.3°
C19C20H201120.1°120.4°
C20C21H211120.3°120.8°
C21C20H201120.2°120.3°
H11C1H12109.5°109.5°
H11C1H13109.4°109.5°
H12C1H13109.5°109.5°
H23C2H22109.5°109.5°
H31C3H32109.5°109.5°
H42C4H41109.5°109.4°
H52C5H51109.5°107.8°
H61C6H62109.5°110.3°
H72C7H71109.5°107.8°
H81C8H82109.5°110.1°
H92C9H91109.4°107.8°
H101C10H102109.5°110.2°
H111C11H112109.5°109.5°
H3CH2109.5°109.5°
H3CH1109.4°109.4°
H2CH1109.5°109.5°
H182C18H181109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CNC1C2120.7°123.9°
CNC2C389.5°66.0°
CNC1H11180.0°176.1°
CNC1H1260.0°56.1°
CNC1H1360.0°63.9°
CNC2H23150.7°53.9°
CNC2H2230.3°174.0°
NCH3H2120.0°120.0°
NCH3H1120.0°119.9°
NCH2H1120.0°120.0°
C1NC2C3149.3°170.0°
NC1H11H12120.0°120.0°
NC1H11H13120.0°120.0°
NC1H12H13120.0°120.0°
C1NC2H2329.5°70.0°
C1NC2H2290.9°50.0°
C1NCH3180.0°60.0°
C1NCH260.0°180.0°
C1NCH160.0°59.9°
NC2C3H23119.8°120.0°
NC2C3H22119.8°120.0°
NC2C3C4136.0°174.8°
C2NC1H1159.3°60.0°
C2NC1H12179.3°180.0°
C2NC1H1360.7°60.0°
NC2H23H22120.5°120.0°
NC2C3H31104.0°65.2°
NC2C3H3216.0°54.8°
C2NCH360.1°176.1°
C2NCH260.0°56.1°
C2NCH1180.0°64.0°
C2C3C4H31120.1°120.0°
C2C3C4H32120.1°120.0°
C2C3C4N1169.2°177.5°
C3C2H23H22120.5°120.0°
C2C3H31H32119.8°120.0°
C2C3C4H4248.9°57.4°
C2C3C4H4170.5°62.5°
C3C4N1H42120.3°120.0°
C3C4N1H41120.3°120.0°
C3C4N1C1072.1°174.7°
C3C4N1C554.7°67.0°
C4C3C2H2316.2°65.2°
C4C3C2H22104.2°54.8°
C4C3H31H32119.8°120.0°
C3C4H42H41119.0°120.0°
C4N1C10C999.6°108.5°
C4N1C10C5124.6°121.0°
C4N1C5C6161.0°178.9°
N1C4C3H3170.7°62.5°
N1C4C3H3249.2°57.5°
N1C4H42H41119.1°120.0°
C4N1C5H5278.6°59.2°
C4N1C5H5140.5°57.1°
C4N1C10H101141.4°132.5°
C4N1C10H10219.3°10.6°
O2C24O3C23179.5°180.0°
O2C24C23N5168.2°179.9°
O2C24C23C2211.6°0.2°
O2C24O3H40.0°0.1°
O3C24C23N511.3°0.0°
O3C24C23C22168.9°179.8°
C9C10N1H101118.9°119.1°
C9C10N1H102118.9°119.0°
C10C9N3H92121.8°121.9°
C10C9N3H91121.9°121.9°
C9C10N1C5135.8°130.5°
C10C9N3C11163.0°62.9°
C10C9N3C869.3°58.0°
C10C9H92H91114.0°116.4°
C9C10H101H102123.0°121.8°
N1C10C9N3120.2°58.6°
C10N1C5C673.5°57.9°
C10N1C4H42167.6°54.7°
C10N1C4H4148.2°65.3°
C10N1C5H5246.8°179.8°
C10N1C5H51166.0°63.9°
N1C10C9H921.7°63.3°
N1C10C9H91118.0°179.5°
N1C10H101H102123.1°121.9°
C9N3C11C8130.4°118.3°
C9N3C11C12103.0°74.8°
C9N3C8C748.6°130.6°
C9N3C8H8172.5°11.5°
C9N3C8H82169.7°110.3°
N3C9H92H91114.0°116.4°
N3C9C10H1011.2°60.5°
N3C9C10H102120.9°177.6°
C9N3C11H11118.3°45.1°
C9N3C11H112135.8°165.1°
N1C5C6H52120.4°121.9°
N1C5C6H51120.4°121.8°
N1C5C6N214.2°58.6°
C5N1C4H4265.6°172.9°
C5N1C4H41175.0°53.0°
N1C5H52H51118.8°116.4°
N1C5C6H61105.9°60.4°
N1C5C6H62134.3°177.6°
C5N1C10H10116.8°11.5°
C5N1C10H102105.3°110.4°
C24C23N5C22179.8°179.8°
C24C23N5C19179.4°180.0°
C24C23C22C21180.0°179.7°
C23C24O3H4179.5°180.0°
C24C23C22H2210.0°0.2°
N3C11C12H111121.2°120.0°
N3C11C12H112121.2°120.0°
N3C11C12C13141.3°95.7°
N3C11C12N438.8°84.4°
C11N3C8C7173.7°9.6°
C11N3C8H8152.6°109.5°
C11N3C8H8265.2°128.7°
C11N3C9H9275.2°58.9°
C11N3C9H9141.1°175.2°
N3C11H111H112116.0°120.0°
C12C11N3C827.5°166.9°
C11C12C13N4179.9°179.9°
C11C12C13C14179.8°180.0°
C11C12N4C16179.3°179.9°
C12C11H111H112116.1°120.0°
C11C12C13H1310.2°0.1°
N3C8C7H81121.1°119.0°
N3C8C7H82121.0°119.1°
N3C8C7N285.7°58.6°
N3C8C7H72154.3°63.3°
N3C8C7H7134.2°179.6°
N3C8H81H82116.7°121.9°
C8N3C9H9252.6°179.9°
C8N3C9H91168.9°63.9°
C8N3C11H111148.7°73.1°
C8N3C11H11293.8°46.9°
C5C6N2H61120.1°119.0°
C5C6N2H62120.1°119.0°
C5C6N2C7111.3°130.6°
C5C6N2C18126.6°108.5°
C6C5H52H51118.7°116.4°
C5C6H61H62119.5°121.9°
C12C13C14H131180.0°179.9°
C13C12N4C160.7°0.0°
C12C13C14C150.4°0.1°
C13C12C11H11197.5°144.4°
C13C12C11H11220.1°24.4°
C12C13C14H141179.6°180.0°
N4C12C13C140.3°0.0°
C12N4C16C150.5°0.0°
C12N4C16C17179.1°179.9°
N4C12C11H11182.5°35.6°
N4C12C11H112160.0°155.6°
N4C12C13H131179.7°179.9°
C13C14C15H141180.0°180.0°
C13C14C15C160.6°0.0°
C13C14C15H151179.4°180.0°
N4C16C15C140.1°0.0°
N4C16C15C17179.7°180.0°
N4C16C17O13.5°175.0°
N4C16C17O176.0°5.1°
N4C16C15H151179.9°180.0°
N5C23C22C210.2°0.1°
C23N5C19C18179.6°180.0°
C23N5C19C201.3°0.5°
N5C23C22H221179.8°180.0°
C22C23N5C190.8°0.2°
C23C22C21H221180.0°179.9°
C23C22C21C200.2°0.1°
C23C22C21H211179.8°179.7°
N5C19C18N247.7°84.0°
N5C19C18C20178.3°179.5°
N5C19C20C211.2°0.5°
N5C19C18H18272.1°36.0°
N5C19C18H181167.5°156.0°
N5C19C20H201178.8°179.5°
C14C15C16H151180.0°180.0°
C14C15C16C17179.8°180.0°
C15C14C13H131179.6°180.0°
C15C16C17O1176.8°5.0°
C15C16C17O3.7°174.9°
C16C15C14H141179.4°180.0°
C16C17O1O179.5°179.9°
C16C17OH6179.4°179.9°
C17C16C15H1510.2°0.0°
O1C17OH60.0°0.0°
C8C7N2C6151.2°57.9°
C8C7N2H72119.9°121.9°
C8C7N2H71119.9°121.7°
C8C7N2C1887.3°178.9°
C8C7H72H71120.2°116.4°
C7C8H81H82116.7°121.9°
C6N2C7C18121.5°121.0°
C6N2C18C1964.5°173.4°
N2C6C5H52134.6°63.3°
N2C6C5H51106.2°179.6°
N2C6H61H62119.6°121.9°
C6N2C7H7288.8°179.9°
C6N2C7H7131.3°63.8°
C6N2C18H182175.7°53.3°
C6N2C18H18155.3°66.6°
C22C21C20C190.7°0.2°
C22C21C20H211180.0°179.8°
C22C21C20H201179.3°179.8°
C7N2C18C19175.1°68.4°
C7N2C6H618.8°11.6°
C7N2C6H62128.5°110.4°
N2C7H72H71120.2°116.4°
N2C7C8H8135.4°60.4°
N2C7C8H82153.2°177.8°
C7N2C18H18255.3°171.6°
C7N2C18H18165.1°51.7°
N2C18C19H182119.8°120.0°
N2C18C19H181119.8°120.0°
N2C18C19C20130.6°95.5°
C18N2C6H61113.3°132.5°
C18N2C6H626.4°10.5°
C18N2C7H7232.7°59.2°
C18N2C7H71152.8°57.2°
N2C18H182H181120.7°119.9°
C18C19C20C21179.5°180.0°
C19C18H182H181120.6°120.1°
C18C19C20H2010.5°0.0°
C19C20C21H201180.0°180.0°
C19C20C21H211179.3°180.0°
C20C19C18H182109.6°144.5°
C20C19C18H18110.8°24.5°
C20C21C22H221179.8°180.0°
H11C1H12H13120.0°120.0°
H23C2C3H31136.2°54.8°
H23C2C3H32103.8°174.8°
H22C2C3H3115.8°174.8°
H22C2C3H32135.8°65.2°
H211C21C20H2010.7°0.0°
H211C21C22H2210.2°0.2°
H31C3C4H42168.9°177.4°
H31C3C4H4149.5°57.5°
H32C3C4H4271.2°62.6°
H32C3C4H41169.4°177.5°
H52C5C6H6114.5°177.7°
H52C5C6H62105.3°55.7°
H51C5C6H61133.6°61.4°
H51C5C6H6213.9°60.6°
H72C7C8H8184.6°177.7°
H72C7C8H8233.3°55.9°
H71C7C8H81155.3°61.3°
H71C7C8H8286.9°60.5°
H92C9C10H101120.6°177.6°
H92C9C10H102117.3°55.8°
H91C9C10H101123.1°61.3°
H91C9C10H1021.0°60.5°
H3CH2H1120.0°120.0°
H131C13C14H1410.4°0.1°
H141C14C15H1510.6°0.0°

225946

PDB entries from 2024-10-09

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