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H81

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAACABtrip1.17Å1.33Å
CABCACsing1.43Å1.48Å
CACOADdoub1.22Å1.22Å
CACNAEsing1.35Å1.33Å
NAECAFsing1.47Å1.46Å
CAUOATsing1.43Å1.43Å
CAFCAGsing1.53Å1.52Å
OATCASsing1.36Å1.36Å
CAHCAGsing1.53Å1.53Å
CAHNAIsing1.46Å1.46Å
NAIC6sing1.38Å1.36Å
CAVCASdoub1.37Å1.41ÅAromatic
CAVC5sing1.40Å1.42ÅAromatic
CASCAPsing1.40Å1.38ÅAromatic
N2C1sing1.47Å1.48Å
C6C5sing1.42Å1.40ÅAromatic
C6N1doub1.33Å1.34ÅAromatic
C5C4doub1.42Å1.39ÅAromatic
CAPOAQsing1.36Å1.38Å
CAPCAOdoub1.38Å1.41ÅAromatic
OAQCARsing1.43Å1.43Å
C1CARsing1.53Å1.52Å
N1C2sing1.33Å1.34ÅAromatic
C4CAOsing1.40Å1.40ÅAromatic
C4N3sing1.34Å1.36ÅAromatic
C2N3doub1.32Å1.36ÅAromatic
C2NAXsing1.38Å1.38Å
CBBNAXsing1.49Å1.46Å
CBBCBAsing1.55Å1.52Å
NAXCAYsing1.48Å1.45Å
CAYCAZsing1.54Å1.53Å
CBACAZsing1.55Å1.52Å
N2H1sing1.01Å1.00Å
N2H2sing1.01Å1.00Å
C1H4sing1.09Å1.10Å
C1H5sing1.09Å1.10Å
CAAH6sing1.05Å1.06Å
CAFH9sing1.09Å1.10Å
CAFH10sing1.09Å1.10Å
CAGH11sing1.09Å1.10Å
CAGH12sing1.09Å1.10Å
CAHH13sing1.09Å1.10Å
CAHH14sing1.09Å1.10Å
CAOH15sing1.08Å1.08Å
CARH16sing1.09Å1.10Å
CARH17sing1.09Å1.10Å
CAUH18sing1.09Å1.10Å
CAUH19sing1.09Å1.10Å
CAUH20sing1.09Å1.10Å
CAVH21sing1.08Å1.08Å
CAYH22sing1.09Å1.10Å
CAYH23sing1.09Å1.10Å
CAZH24sing1.09Å1.10Å
CAZH25sing1.09Å1.10Å
CBAH26sing1.09Å1.10Å
CBAH27sing1.09Å1.10Å
CBBH28sing1.09Å1.10Å
CBBH29sing1.09Å1.10Å
NAEH30sing0.97Å1.00Å
NAIH31sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAACABCAC120.9°179.9°
CABCAAH6180.0°180.0°
CABCACOAD120.4°120.0°
CABCACNAE119.7°119.9°
OADCACNAE119.9°120.0°
CACNAECAF119.2°120.0°
CACNAEH30120.4°120.0°
NAECAFCAG110.4°109.5°
NAECAFH9109.2°109.5°
NAECAFH10109.2°109.4°
CAFNAEH30120.4°120.0°
CAUOATCAS119.4°117.0°
OATCAUH18109.5°109.4°
OATCAUH19109.4°109.4°
OATCAUH20109.4°109.5°
CAFCAGCAH111.1°109.5°
CAGCAFH9109.2°109.5°
CAGCAFH10109.3°109.5°
CAFCAGH11109.1°109.5°
CAFCAGH12109.1°109.5°
OATCASCAV121.2°119.6°
OATCASCAP118.4°119.7°
CAGCAHNAI114.8°109.5°
CAHCAGH11109.1°109.5°
CAHCAGH12109.0°109.4°
CAGCAHH13108.1°109.5°
CAGCAHH14108.1°109.5°
CAHNAIC6123.5°120.0°
NAICAHH13108.1°109.5°
NAICAHH14108.1°109.5°
CAHNAIH31105.9°120.0°
NAIC6C5121.7°120.9°
NAIC6N1119.4°120.8°
C6NAIH31105.8°120.0°
CASCAVC5119.7°119.7°
CAVCASCAP120.4°120.7°
CASCAVH21120.1°120.1°
CAVC5C6120.7°121.8°
CAVC5C4119.6°119.9°
C5CAVH21120.1°120.2°
CASCAPOAQ119.7°119.6°
CASCAPCAO120.0°120.7°
N2C1CAR107.5°109.5°
C1N2H1109.5°111.0°
C1N2H2109.5°110.9°
N2C1H4110.0°109.5°
N2C1H5110.0°109.5°
C5C6N1119.0°118.4°
C6C5C4119.7°118.3°
C6N1C2120.6°121.4°
C5C4CAO119.8°119.5°
C5C4N3119.5°118.8°
OAQCAPCAO120.3°119.6°
CAPOAQCAR117.7°117.0°
CAPCAOC4120.5°119.5°
CAPCAOH15119.7°120.2°
OAQCARC1106.7°109.5°
OAQCARH16110.1°109.5°
OAQCARH17110.2°109.5°
CARC1H4110.0°109.4°
CARC1H5110.0°109.5°
C1CARH16110.2°109.5°
C1CARH17110.1°109.4°
N1C2N3122.5°122.7°
N1C2NAX116.4°118.6°
CAOC4N3120.7°121.8°
C4CAOH15119.8°120.2°
C4N3C2118.7°120.4°
N3C2NAX121.1°118.7°
C2NAXCBB120.5°111.0°
C2NAXCAY120.3°111.0°
NAXCBBCBA99.2°103.2°
CBBNAXCAY119.2°105.8°
NAXCBBH28112.0°110.7°
NAXCBBH29112.0°110.7°
CBBCBACAZ105.4°102.9°
CBBCBAH26110.5°110.7°
CBBCBAH27110.5°110.9°
CBACBBH28112.0°110.7°
CBACBBH29112.0°110.7°
NAXCAYCAZ99.1°107.0°
NAXCAYH22112.0°109.9°
NAXCAYH23112.0°110.1°
CAYCAZCBA105.9°105.2°
CAZCAYH22112.0°109.9°
CAZCAYH23112.0°109.9°
CAYCAZH24110.4°110.3°
CAYCAZH25110.3°110.3°
CBACAZH24110.3°110.3°
CBACAZH25110.3°110.4°
CAZCBAH26110.5°110.7°
CAZCBAH27110.5°110.7°
H1N2H2109.4°111.1°
H4C1H5109.4°109.4°
H9CAFH10109.5°109.5°
H11CAGH12109.5°109.5°
H13CAHH14109.5°109.4°
H16CARH17109.5°109.5°
H18CAUH19109.5°109.5°
H18CAUH20109.5°109.5°
H19CAUH20109.5°109.5°
H22CAYH23109.5°109.9°
H24CAZH25109.5°110.2°
H26CBAH27109.5°110.7°
H28CBBH29109.5°110.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAACABCACOAD17.9°55.9°
CAACABCACNAE161.6°124.2°
CABCACOADNAE179.5°180.0°
CABCACNAECAF173.1°180.0°
CACCABCAAH6159.5°113.2°
CABCACNAEH306.9°0.0°
OADCACNAECAF6.4°0.0°
OADCACNAEH30173.6°180.0°
CACNAECAFH30180.0°180.0°
CACNAECAFCAG161.8°180.0°
CACNAECAFH978.1°60.0°
CACNAECAFH1041.6°60.1°
NAECAFCAGH9120.1°120.0°
NAECAFCAGH10120.1°119.9°
NAECAFCAGCAH54.7°180.0°
NAECAFH9H10119.6°120.0°
NAECAFCAGH1165.5°60.0°
NAECAFCAGH12174.9°60.0°
CAUOATCASCAV14.7°0.5°
CAUOATCASCAP165.4°180.0°
OATCAUH18H19120.0°119.9°
OATCAUH18H20120.0°120.0°
OATCAUH19H20119.9°120.0°
CAFCAGCAHH11120.3°120.0°
CAFCAGCAHH12120.2°120.0°
CAFCAGCAHNAI68.5°180.0°
CAGCAFH9H10119.6°120.1°
CAFCAGH11H12119.3°120.0°
CAFCAGCAHH1352.3°60.0°
CAFCAGCAHH14170.7°60.0°
CAGCAFNAEH3018.2°0.0°
OATCASCAVCAP179.8°179.5°
OATCASCAVC5179.9°179.7°
OATCASCAPOAQ0.9°0.0°
OATCASCAPCAO179.3°180.0°
CASOATCAUH18180.0°180.0°
CASOATCAUH1960.0°60.0°
CASOATCAUH2060.0°60.0°
OATCASCAVH210.0°0.4°
CAGCAHNAIH13120.8°120.0°
CAGCAHNAIH14120.8°120.0°
CAGCAHNAIC665.2°180.0°
CAHCAGCAFH9174.9°60.1°
CAHCAGCAFH1065.4°60.0°
CAHCAGH11H12119.3°120.0°
CAGCAHH13H14117.6°120.0°
CAGCAHNAIH3156.7°0.0°
CAHNAIC6H31121.9°180.0°
CAHNAIC6C5171.6°180.0°
CAHNAIC6N17.6°0.0°
NAICAHCAGH11171.2°60.0°
NAICAHCAGH1251.7°60.0°
NAICAHH13H14117.5°120.0°
NAIC6C5CAV1.2°0.0°
NAIC6C5N1179.2°180.0°
NAIC6C5C4179.7°180.0°
NAIC6N1C2179.2°180.0°
C6NAICAHH13174.0°60.0°
C6NAICAHH1455.6°60.0°
CASCAVC5H21180.0°179.3°
CASCAVC5C6180.0°179.5°
CASCAVC5C40.9°0.5°
CAVCASCAPOAQ179.2°179.5°
CAVCASCAPCAO0.8°0.5°
C5CAVCASCAP0.1°0.7°
CAVC5C6C4179.1°180.0°
CAVC5C6N1179.6°180.0°
CAVC5C4CAO1.1°0.0°
CAVC5C4N3179.9°179.7°
CASCAPOAQCAO178.4°180.0°
CASCAPOAQCAR159.2°180.0°
CASCAPCAOC40.6°0.0°
CASCAPCAOH15179.4°180.0°
CAPCASCAVH21179.9°180.0°
N2C1CAROAQ72.1°65.0°
N2C1CARH4119.7°120.0°
N2C1CARH5119.7°120.0°
C1N2H1H2120.0°123.9°
N2C1H4H5120.9°120.0°
N2C1CARH16168.3°175.0°
N2C1CARH1747.4°55.0°
C5C6N1C20.1°0.1°
C6C5C4CAO179.7°180.0°
C6C5C4N30.7°0.3°
C6C5CAVH210.0°0.2°
C5C6NAIH3149.7°0.0°
N1C6C5C40.5°0.0°
C6N1C2N30.4°0.3°
C6N1C2NAX179.7°179.9°
N1C6NAIH31129.5°180.0°
C5C4CAOCAP0.4°0.2°
C5C4CAON3179.0°179.7°
C5C4N3C20.4°0.5°
C5C4CAOH15179.6°179.8°
C4C5CAVH21179.1°179.8°
CAPOAQCARC1177.2°180.0°
OAQCAPCAOC4179.0°180.0°
OAQCAPCAOH151.0°0.0°
CAPOAQCARH1663.2°60.0°
CAPOAQCARH1757.6°60.0°
CAOCAPOAQCAR22.4°0.0°
CAPCAOC4H15180.0°180.0°
CAPCAOC4N3179.4°180.0°
OAQCARC1H16119.5°120.1°
OAQCARC1H17119.6°120.0°
OAQCARC1H4168.1°55.0°
OAQCARC1H547.6°175.0°
OAQCARH16H17121.3°120.0°
CARC1N2H1180.0°180.0°
CARC1N2H260.0°56.0°
CARC1H4H5120.9°119.9°
C1CARH16H17121.3°119.9°
N1C2N3C40.2°0.6°
N1C2N3NAX179.2°179.7°
N1C2NAXCBB2.2°180.0°
N1C2NAXCAY178.9°62.6°
CAOC4N3C2179.4°179.7°
C4N3C2NAX179.4°179.7°
N3C4CAOH150.6°0.1°
N3C2NAXCBB177.0°0.3°
N3C2NAXCAY1.8°117.6°
C2NAXCBBCAY178.9°120.5°
C2NAXCBBCBA168.2°159.7°
C2NAXCAYCAZ171.2°145.8°
C2NAXCAYH2253.0°94.8°
C2NAXCAYH2370.5°26.4°
C2NAXCBBH2849.9°41.3°
C2NAXCBBH2973.5°81.8°
NAXCBBCBAH28118.3°118.5°
NAXCBBCBAH29118.3°118.4°
CBBNAXCAYCAZ9.9°25.3°
NAXCBBCBACAZ26.8°37.4°
CBBNAXCAYH22128.2°144.7°
CBBNAXCAYH23108.4°94.1°
NAXCBBCBAH2692.6°155.8°
NAXCBBCBAH27146.1°81.0°
NAXCBBH28H29124.8°123.1°
CBACBBNAXCAY10.7°39.2°
CBBCBACAZCAY35.1°22.0°
CBBCBACAZH26119.4°118.3°
CBBCBACAZH27119.3°118.6°
CBBCBACAZH2484.4°96.9°
CBBCBACAZH25154.5°140.9°
CBBCBAH26H27121.9°123.4°
CBACBBH28H29124.8°123.1°
NAXCAYCAZH22118.3°119.3°
NAXCAYCAZH23118.3°119.5°
NAXCAYCAZCBA26.5°1.2°
NAXCAYH22H23124.8°121.4°
NAXCAYCAZH2492.9°120.2°
NAXCAYCAZH25146.0°117.8°
CAYNAXCBBH28129.0°79.2°
CAYNAXCBBH29107.6°157.7°
CAYCAZCBAH24119.4°118.9°
CAYCAZCBAH25119.4°119.0°
CAZCAYH22H23124.9°121.1°
CAYCAZH24H25121.7°122.0°
CAYCAZCBAH2684.3°140.3°
CAYCAZCBAH27154.4°96.6°
CBACAZCAYH22144.8°120.6°
CBACAZCAYH2391.7°118.3°
CBACAZH24H25121.6°122.2°
CAZCBAH26H27121.9°123.1°
CAZCBACBBH28145.1°81.0°
CAZCBACBBH2991.5°155.9°
H1N2C1H460.3°60.0°
H1N2C1H560.3°60.0°
H2N2C1H459.7°64.0°
H2N2C1H5179.7°176.0°
H4C1CARH1648.6°65.0°
H4C1CARH1772.3°175.0°
H5C1CARH1672.0°54.9°
H5C1CARH17167.1°65.1°
H9CAFCAGH1154.6°60.0°
H9CAFCAGH1264.9°180.0°
H9CAFNAEH30101.9°120.0°
H10CAFCAGH11174.3°179.9°
H10CAFCAGH1254.8°59.9°
H10CAFNAEH30138.4°119.9°
H11CAGCAHH1368.0°180.0°
H11CAGCAHH1450.4°60.0°
H12CAGCAHH13172.5°60.0°
H12CAGCAHH1469.1°180.0°
H13CAHNAIH3164.1°120.0°
H14CAHNAIH31177.5°120.0°
H18CAUH19H20120.0°120.1°
H22CAYCAZH2425.4°120.5°
H22CAYCAZH2595.8°1.5°
H23CAYCAZH24148.9°0.6°
H23CAYCAZH2527.7°122.6°
H24CAZCBAH26156.3°21.4°
H24CAZCBAH2735.0°144.5°
H25CAZCBAH2635.1°100.7°
H25CAZCBAH2786.2°22.4°
H26CBACBBH2825.7°37.3°
H26CBACBBH29149.1°85.8°
H27CBACBBH2895.6°160.5°
H27CBACBBH2927.8°37.4°

248942

PDB entries from 2026-02-11

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