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92M

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C4C5doub1.40Å1.38ÅAromatic
C4N3sing1.33Å1.33ÅAromatic
C4NAEsing1.38Å1.33Å
C5C6sing1.38Å1.39ÅAromatic
C5NBGsing1.40Å1.32Å
C6N1doub1.33Å1.32ÅAromatic
N1C2sing1.32Å1.35ÅAromatic
N3C2doub1.33Å1.33ÅAromatic
CATCAUsing1.53Å1.53Å
CATNASsing1.47Å1.48Å
CAUCAVsing1.53Å1.55Å
CAVOAWsing1.43Å1.44Å
CAVCAXsing1.53Å1.55Å
CAXCAYsing1.53Å1.54Å
CAYNASsing1.47Å1.48Å
NASCARsing1.40Å1.39Å
CARCAZdoub1.39Å1.40ÅAromatic
CARCAQsing1.39Å1.39ÅAromatic
CAZCBAsing1.39Å1.40ÅAromatic
CBAOBBsing1.36Å1.35Å
CBACAOdoub1.39Å1.40ÅAromatic
OBBCBCsing1.43Å1.41Å
CAQCAPdoub1.38Å1.40ÅAromatic
CAPCAOsing1.39Å1.39ÅAromatic
CAONANsing1.40Å1.33Å
NANC2sing1.39Å1.33Å
NBGCBHsing1.47Å1.47Å
NBGCABsing1.35Å1.33Å
CABOAAdoub1.21Å1.24Å
CABCACsing1.50Å1.49Å
CACCADsing1.53Å1.53Å
CADNAEsing1.47Å1.46Å
NAECAFsing1.47Å1.48Å
CAFCAGsing1.54Å1.53Å
CAFCAJsing1.55Å1.50Å
CAGCAHsing1.54Å1.51Å
CAHCAIsing1.54Å1.51Å
CAICAJsing1.55Å1.54Å
C6H6sing1.08Å1.08Å
CATHATsing1.09Å1.10Å
CATHATAsing1.09Å1.10Å
CAUHAUsing1.09Å1.10Å
CAUHAUAsing1.09Å1.10Å
CAVHAVsing1.09Å1.10Å
OAWHOAWsing0.97Å0.95Å
CAXHAXsing1.09Å1.10Å
CAXHAXAsing1.09Å1.10Å
CAYHAYsing1.09Å1.10Å
CAYHAYAsing1.09Å1.10Å
CAZHAZsing1.08Å1.08Å
CBCHBCsing1.09Å1.10Å
CBCHBCAsing1.09Å1.10Å
CBCHBCBsing1.09Å1.10Å
CAQHAQsing1.08Å1.08Å
CAPHAPsing1.08Å1.08Å
NANHNANsing0.97Å1.00Å
CBHHBHsing1.09Å1.10Å
CBHHBHAsing1.09Å1.10Å
CBHHBHBsing1.09Å1.10Å
CACHACsing1.09Å1.10Å
CACHACAsing1.09Å1.10Å
CADHADsing1.09Å1.10Å
CADHADAsing1.09Å1.10Å
CAFHAFsing1.09Å1.10Å
CAGHAGsing1.09Å1.10Å
CAGHAGAsing1.09Å1.10Å
CAHHAHsing1.09Å1.10Å
CAHHAHAsing1.09Å1.10Å
CAIHAIsing1.09Å1.10Å
CAIHAIAsing1.09Å1.10Å
CAJHAJsing1.09Å1.10Å
CAJHAJAsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C5C4N3119.3°118.9°
C5C4NAE129.1°119.9°
C4C5C6119.2°118.9°
C4C5NBG127.6°119.7°
N3C4NAE111.6°121.1°
C4N3C2120.7°120.4°
C4NAECAD125.6°112.4°
C4NAECAF118.8°111.0°
C6C5NBG113.2°121.4°
C5C6N1118.7°118.8°
C5C6H6120.7°120.6°
C5NBGCBH118.6°120.9°
C5NBGCAB123.9°118.2°
C6N1C2121.6°121.0°
N1C6H6120.6°120.6°
N1C2N3120.4°122.0°
N1C2NAN118.9°119.0°
N3C2NAN120.7°119.0°
CAUCATNAS105.3°109.5°
CATCAUCAV108.5°109.3°
CAUCATHAT110.9°109.4°
CAUCATHATA111.8°109.5°
CATCAUHAU109.8°109.5°
CATCAUHAUA110.0°109.5°
CATNASCAY118.7°111.2°
CATNASCAR121.8°111.0°
NASCATHAT110.9°109.4°
NASCATHATA111.8°109.5°
CAUCAVOAW111.7°109.5°
CAUCAVCAX109.8°109.2°
CAVCAUHAU109.8°109.5°
CAVCAUHAUA110.0°109.5°
CAUCAVHAV107.9°109.5°
OAWCAVCAX110.1°109.5°
OAWCAVHAV107.7°109.5°
CAVOAWHOAW109.5°114.0°
CAVCAXCAY112.6°109.3°
CAXCAVHAV109.6°109.6°
CAVCAXHAX108.5°109.6°
CAVCAXHAXA107.8°109.5°
CAXCAYNAS111.8°109.5°
CAYCAXHAX108.5°109.5°
CAYCAXHAXA107.8°109.5°
CAXCAYHAY108.7°109.5°
CAXCAYHAYA108.2°109.5°
CAYNASCAR119.5°111.0°
NASCAYHAY108.7°109.5°
NASCAYHAYA108.2°109.4°
NASCARCAZ121.1°120.0°
NASCARCAQ119.7°120.0°
CAZCARCAQ119.2°120.0°
CARCAZCBA119.2°119.9°
CARCAZHAZ120.4°120.0°
CARCAQCAP121.3°120.1°
CARCAQHAQ119.3°119.9°
CAZCBAOBB121.7°120.0°
CAZCBACAO121.4°119.9°
CBACAZHAZ120.4°120.0°
OBBCBACAO116.8°120.1°
CBAOBBCBC114.5°117.0°
CBACAOCAP119.2°120.0°
CBACAONAN119.0°120.0°
OBBCBCHBC109.5°109.5°
OBBCBCHBCA109.4°109.5°
OBBCBCHBCB109.5°109.4°
CAQCAPCAO119.6°120.0°
CAPCAQHAQ119.3°120.0°
CAQCAPHAP120.2°120.0°
CAPCAONAN121.8°120.0°
CAOCAPHAP120.2°120.0°
CAONANC2123.8°120.0°
CAONANHNAN118.1°120.0°
C2NANHNAN118.1°120.0°
CBHNBGCAB117.5°120.9°
NBGCBHHBH109.5°109.4°
NBGCBHHBHA109.5°109.5°
NBGCBHHBHB109.5°109.5°
NBGCABOAA119.2°120.3°
NBGCABCAC121.0°119.4°
OAACABCAC119.8°120.3°
CABCACCAD108.5°110.5°
CABCACHAC109.8°109.3°
CABCACHACA110.0°109.3°
CACCADNAE110.0°110.5°
CADCACHAC109.8°109.3°
CADCACHACA110.0°109.3°
CACCADHAD109.3°109.3°
CACCADHADA109.2°109.3°
CADNAECAF115.0°111.0°
NAECADHAD109.3°109.3°
NAECADHADA109.2°109.3°
NAECAFCAG111.9°110.5°
NAECAFCAJ107.0°110.5°
NAECAFHAF107.9°110.4°
CAGCAFCAJ104.1°104.2°
CAFCAGCAH106.0°106.6°
CAGCAFHAF110.6°110.4°
CAFCAGHAG110.7°110.1°
CAFCAGHAGA111.4°110.1°
CAFCAJCAI106.9°102.7°
CAJCAFHAF115.3°110.7°
CAFCAJHAJ110.3°110.8°
CAFCAJHAJA110.9°110.8°
CAGCAHCAI105.9°106.6°
CAHCAGHAG110.7°110.0°
CAHCAGHAGA111.4°110.0°
CAGCAHHAH110.7°110.1°
CAGCAHHAHA111.5°110.0°
CAHCAICAJ107.1°104.2°
CAICAHHAH110.7°110.0°
CAICAHHAHA111.5°110.0°
CAHCAIHAI110.3°110.5°
CAHCAIHAIA110.8°110.5°
CAJCAIHAI110.3°110.4°
CAJCAIHAIA110.8°110.5°
CAICAJHAJ110.3°110.7°
CAICAJHAJA110.9°110.7°
HATCATHATA106.3°109.5°
HAUCAUHAUA108.7°109.6°
HAXCAXHAXA111.9°109.5°
HAYCAYHAYA111.3°109.5°
HBCCBCHBCA109.5°109.4°
HBCCBCHBCB109.4°109.5°
HBCACBCHBCB109.5°109.5°
HBHCBHHBHA109.5°109.5°
HBHCBHHBHB109.5°109.4°
HBHACBHHBHB109.5°109.5°
HACCACHACA108.7°109.1°
HADCADHADA109.9°109.2°
HAGCAGHAGA106.8°110.0°
HAHCAHHAHA106.7°110.1°
HAICAIHAIA107.6°110.5°
HAJCAJHAJA107.5°110.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C5C4N3NAE178.4°179.0°
C4C5C6NBG179.9°179.1°
C4C5C6N10.1°0.5°
C5C4N3C20.8°0.8°
C4C5NBGCBH143.4°131.5°
C4C5NBGCAB35.3°48.5°
C5C4NAECAD20.2°78.1°
C5C4NAECAF168.4°156.9°
C4C5C6H6179.9°179.4°
N3C4C5C60.2°1.0°
N3C4C5NBG179.6°178.1°
C4N3C2N11.2°0.1°
C4N3C2NAN178.5°180.0°
N3C4NAECAD158.0°102.9°
N3C4NAECAF13.3°22.0°
NAEC4C5C6178.3°178.0°
NAEC4C5NBG1.5°2.9°
NAEC4N3C2179.2°178.2°
C4NAECADCAC24.1°44.2°
C4NAECADCAF171.6°125.0°
C4NAECAFCAG138.4°56.0°
C4NAECAFCAJ108.2°170.8°
C4NAECADHAD144.1°76.1°
C4NAECADHADA95.7°164.5°
C4NAECAFHAF16.4°66.5°
C5C6N1H6180.0°179.9°
C5C6N1C20.5°0.1°
C6C5NBGCBH36.7°49.4°
C6C5NBGCAB144.6°130.6°
NBGC5C6N1179.8°178.5°
C5NBGCBHCAB178.8°180.0°
C5NBGCABOAA179.2°176.5°
C5NBGCABCAC1.0°3.5°
NBGC5C6H60.2°1.5°
C5NBGCBHHBH27.9°90.0°
C5NBGCBHHBHA147.9°150.0°
C5NBGCBHHBHB92.1°29.9°
C6N1C2N31.1°0.4°
C6N1C2NAN178.7°179.6°
N1C2N3NAN179.7°180.0°
N1C2NANCAO167.7°6.0°
C2N1C6H6179.5°180.0°
N1C2NANHNAN12.4°173.9°
N3C2NANCAO12.1°174.0°
N3C2NANHNAN167.9°6.0°
CAUCATNASHAT120.0°120.0°
CAUCATNASHATA121.6°120.0°
CATCAUCAVHAU120.0°119.9°
CATCAUCAVHAUA120.4°120.0°
CATCAUCAVOAW175.7°177.5°
CATCAUCAVCAX53.2°57.7°
CAUCATNASCAY25.8°61.7°
CAUCATNASCAR152.9°174.2°
CAUCATHATHATA121.7°120.0°
CATCAUHAUHAUA120.4°120.1°
CATCAUCAVHAV66.2°62.3°
NASCATCAUCAV70.9°59.2°
CATNASCAYCAX33.2°61.7°
CATNASCAYCAR178.7°124.1°
CATNASCARCAZ9.4°180.0°
CATNASCARCAQ171.4°0.3°
NASCATHATHATA121.7°120.0°
NASCATCAUHAU49.1°60.8°
NASCATCAUHAUA168.7°179.1°
CATNASCAYHAY86.8°178.2°
CATNASCAYHAYA152.2°58.2°
CAUCAVOAWCAX122.3°119.7°
CAUCAVOAWHAV118.3°120.1°
CAUCAVCAXHAV118.4°120.0°
CAUCAVCAXCAY7.1°57.7°
CAVCAUCATHAT49.1°60.8°
CAVCAUCATHATA167.5°179.2°
CAVCAUHAUHAUA120.4°120.1°
CAUCAVOAWHOAW120.4°180.0°
CAUCAVCAXHAX127.1°62.2°
CAUCAVCAXHAXA111.6°177.6°
OAWCAVCAXHAV118.2°120.2°
OAWCAVCAXCAY116.3°177.5°
OAWCAVCAUHAU55.7°57.6°
OAWCAVCAUHAUA63.9°62.5°
OAWCAVCAXHAX3.7°57.6°
OAWCAVCAXHAXA125.0°62.6°
CAVCAXCAYHAX120.0°120.0°
CAVCAXCAYHAXA118.7°119.9°
CAVCAXCAYNAS50.5°59.2°
CAXCAVCAUHAU66.8°62.2°
CAXCAVCAUHAUA173.6°177.6°
CAXCAVOAWHOAW1.9°60.3°
CAVCAXHAXHAXA118.7°120.2°
CAVCAXCAYHAY69.5°179.2°
CAVCAXCAYHAYA169.5°60.8°
CAXCAYNASHAY120.0°120.1°
CAXCAYNASHAYA119.0°120.0°
CAXCAYNASCAR148.1°174.2°
CAYCAXCAVHAV125.5°62.3°
CAYCAXHAXHAXA118.7°120.0°
CAXCAYHAYHAYA119.1°120.0°
CAYNASCARCAZ169.3°55.8°
CAYNASCARCAQ10.0°124.0°
CAYNASCATHAT94.3°58.2°
CAYNASCATHATA147.3°178.2°
NASCAYCAXHAX170.5°60.8°
NASCAYCAXHAXA68.2°179.1°
NASCAYHAYHAYA119.0°119.9°
NASCARCAZCAQ179.3°179.7°
NASCARCAZCBA178.6°180.0°
NASCARCAQCAP179.7°179.9°
CARNASCATHAT87.1°65.9°
CARNASCATHATA31.3°54.1°
CARNASCAYHAY91.9°54.1°
CARNASCAYHAYA29.1°65.8°
NASCARCAZHAZ1.4°0.0°
NASCARCAQHAQ0.4°0.0°
CARCAZCBAHAZ180.0°180.0°
CARCAZCBAOBB179.0°180.0°
CARCAZCBACAO0.6°0.0°
CAZCARCAQCAP0.4°0.2°
CAZCARCAQHAQ179.7°179.7°
CAQCARCAZCBA0.7°0.2°
CARCAQCAPHAQ180.0°179.9°
CARCAQCAPCAO1.6°0.1°
CAQCARCAZHAZ179.3°179.7°
CARCAQCAPHAP178.5°180.0°
CAZCBAOBBCAO179.6°180.0°
CAZCBAOBBCBC3.0°0.0°
CAZCBACAOCAP0.6°0.3°
CAZCBACAONAN177.5°180.0°
OBBCBACAOCAP179.8°179.7°
OBBCBACAONAN2.9°0.1°
OBBCBACAZHAZ1.0°0.0°
CBAOBBCBCHBC10.4°180.0°
CBAOBBCBCHBCA130.4°60.0°
CBAOBBCBCHBCB109.6°60.0°
CAOCBAOBBCBC177.4°179.9°
CBACAOCAPCAQ1.6°0.3°
CBACAOCAPNAN176.8°179.8°
CBACAONANC2134.6°147.8°
CAOCBACAZHAZ179.4°180.0°
CBACAOCAPHAP178.4°179.7°
CBACAONANHNAN45.4°32.1°
OBBCBCHBCHBCA120.0°120.0°
OBBCBCHBCHBCB120.0°120.0°
OBBCBCHBCAHBCB120.0°120.0°
CAQCAPCAOHAP180.0°180.0°
CAQCAPCAONAN178.5°179.9°
CAPCAONANC248.6°32.0°
CAOCAPCAQHAQ178.5°180.0°
CAPCAONANHNAN131.4°148.1°
CAONANC2HNAN180.0°179.9°
NANCAOCAPHAP1.6°0.0°
CBHNBGCABOAA0.5°3.5°
CBHNBGCABCAC179.7°176.5°
NBGCBHHBHHBHA120.0°120.0°
NBGCBHHBHHBHB120.0°120.0°
NBGCBHHBHAHBHB120.0°120.0°
NBGCABOAACAC179.8°180.0°
NBGCABCACCAD69.1°76.0°
CABNBGCBHHBH150.9°90.0°
CABNBGCBHHBHA30.9°30.0°
CABNBGCBHHBHB89.1°150.1°
NBGCABCACHAC50.9°44.3°
NBGCABCACHACA170.5°163.7°
OAACABCACCAD111.1°104.0°
OAACABCACHAC128.9°135.7°
OAACABCACHACA9.3°16.3°
CABCACCADHAC120.0°120.3°
CABCACCADHACA120.4°120.3°
CABCACCADNAE78.0°43.9°
CABCACHACHACA120.4°119.5°
CABCACCADHAD162.0°164.2°
CABCACCADHADA41.8°76.3°
CACCADNAEHAD120.0°120.3°
CACCADNAEHADA119.8°120.3°
CACCADNAECAF147.5°169.2°
CADCACHACHACA120.4°119.4°
CACCADHADHADA119.8°119.5°
CADNAECAFCAG49.4°178.2°
CADNAECAFCAJ64.0°63.4°
NAECADCACHAC42.0°76.4°
NAECADCACHACA161.7°164.3°
NAECADHADHADA119.8°119.5°
CADNAECAFHAF171.4°59.3°
NAECAFCAGCAJ115.3°118.7°
NAECAFCAGHAF120.4°122.5°
NAECAFCAJHAF120.0°122.6°
NAECAFCAGCAH147.8°142.3°
NAECAFCAJCAI145.1°156.6°
CAFNAECADHAD27.5°48.9°
CAFNAECADHADA92.7°70.5°
NAECAFCAGHAG27.7°23.0°
NAECAFCAGHAGA90.9°98.4°
NAECAFCAJHAJ94.9°85.1°
NAECAFCAJHAJA24.1°38.4°
CAGCAFCAJHAF121.3°118.7°
CAFCAGCAHHAG120.0°119.3°
CAFCAGCAHHAGA121.3°119.4°
CAFCAGCAHCAI25.8°0.1°
CAGCAFCAJCAI26.4°37.9°
CAFCAGHAGHAGA121.4°121.5°
CAFCAGCAHHAH145.8°119.2°
CAFCAGCAHHAHA95.6°119.3°
CAGCAFCAJHAJ146.4°156.2°
CAGCAFCAJHAJA94.6°80.3°
CAJCAFCAGCAH32.5°23.6°
CAFCAJCAICAH11.0°38.0°
CAFCAJCAIHAJ120.0°118.3°
CAFCAJCAIHAJA121.0°118.3°
CAJCAFCAGHAG87.5°95.6°
CAJCAFCAGHAGA153.8°142.9°
CAFCAJCAIHAI130.9°156.7°
CAFCAJCAIHAIA110.0°80.8°
CAFCAJHAJHAJA121.1°123.4°
CAGCAHCAIHAH120.0°119.3°
CAGCAHCAIHAHA121.4°119.3°
CAGCAHCAICAJ9.3°23.7°
CAHCAGCAFHAF91.9°95.3°
CAHCAGHAGHAGA121.4°121.4°
CAGCAHHAHHAHA121.5°121.5°
CAGCAHCAIHAI110.7°142.3°
CAGCAHCAIHAIA130.3°95.1°
CAHCAICAJHAI120.0°118.7°
CAHCAICAJHAIA121.0°118.8°
CAICAHCAGHAG94.2°119.4°
CAICAHCAGHAGA147.1°119.3°
CAICAHHAHHAHA121.4°121.4°
CAHCAIHAIHAIA121.0°122.6°
CAHCAICAJHAJ130.9°156.3°
CAHCAICAJHAJA110.1°80.3°
CAICAJCAFHAF94.9°80.8°
CAJCAICAHHAH129.3°95.6°
CAJCAICAHHAHA112.1°142.9°
CAJCAIHAIHAIA121.0°122.6°
CAICAJHAJHAJA121.1°123.3°
HATCATCAUHAU169.1°179.3°
HATCATCAUHAUA71.3°59.1°
HATACATCAUHAU72.4°59.3°
HATACATCAUHAUA47.1°60.9°
HAUCAUCAVHAV173.8°177.7°
HAUACAUCAVHAV54.2°57.6°
HAVCAVOAWHOAW121.3°59.9°
HAVCAVCAXHAX114.5°177.8°
HAVCAVCAXHAXA6.8°57.6°
HAXCAXCAYHAY50.6°59.2°
HAXCAXCAYHAYA70.5°179.2°
HAXACAXCAYHAY171.9°60.8°
HAXACAXCAYHAYA50.8°59.2°
HBCCBCHBCAHBCB120.0°120.0°
HAQCAQCAPHAP1.5°0.1°
HBHCBHHBHAHBHB120.0°120.0°
HACCACCADHAD78.0°43.9°
HACCACCADHADA161.8°163.3°
HACACACCADHAD41.7°75.4°
HACACACCADHADA78.5°44.0°
HAFCAFCAGHAG148.1°145.5°
HAFCAFCAGHAGA29.4°24.0°
HAFCAFCAJHAJ25.0°37.5°
HAFCAFCAJHAJA144.0°161.0°
HAGCAGCAHHAH25.8°0.1°
HAGCAGCAHHAHA144.4°121.4°
HAGACAGCAHHAH92.8°121.4°
HAGACAGCAHHAHA25.7°0.1°
HAHCAHCAIHAI9.4°23.0°
HAHCAHCAIHAIA109.7°145.6°
HAHACAHCAIHAI127.9°98.4°
HAHACAHCAIHAIA8.9°24.2°
HAICAICAJHAJ109.1°85.0°
HAICAICAJHAJA9.9°38.4°
HAIACAICAJHAJ10.0°37.5°
HAIACAICAJHAJA129.0°160.9°

223790

PDB entries from 2024-08-14

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