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DXQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C2doub1.33Å1.36ÅAromatic
N1C6sing1.33Å1.35ÅAromatic
C2N3sing1.32Å1.36ÅAromatic
C2NBIsing1.38Å1.35Å
N3C4doub1.34Å1.36ÅAromatic
C4C5sing1.42Å1.40ÅAromatic
C4CAFsing1.40Å1.40ÅAromatic
C5C6doub1.42Å1.40ÅAromatic
C5CAGsing1.40Å1.40ÅAromatic
C6NAVsing1.38Å1.34Å
CAAOAWsing1.43Å1.43Å
CABNBFsing1.47Å1.46Å
CACNBFsing1.47Å1.46Å
CADNBGsing1.47Å1.48Å
CAENBHsing1.47Å1.47Å
CAFCAZdoub1.38Å1.40ÅAromatic
CAGCAYdoub1.37Å1.40ÅAromatic
CAHCAJsing1.53Å1.55Å
CAHCAMsing1.53Å1.55Å
CAICANsing1.54Å1.54Å
CAICAOsing1.46Å1.54Å
CAJOAXsing1.43Å1.44Å
CAKCAPsing1.53Å1.54Å
CAKCBEsing1.53Å1.52Å
CALCAQsing1.53Å1.54Å
CALCBEsing1.53Å1.53Å
CAMNBFsing1.47Å1.49Å
CANNBGsing1.44Å1.48Å
CAONBIsing1.48Å1.48Å
CAPNBHsing1.47Å1.49Å
CAQNBHsing1.47Å1.48Å
CARCASsing1.54Å1.53Å
CARNBGsing1.48Å1.47Å
CASNBIsing1.44Å1.48Å
NAVCBEsing1.46Å1.48Å
OAWCAYsing1.36Å1.36Å
OAXCAZsing1.36Å1.37Å
CAYCAZsing1.40Å1.40ÅAromatic
CAAHAAsing1.09Å1.10Å
CAAHAAAsing1.09Å1.10Å
CAAHAABsing1.09Å1.10Å
CABHABsing1.09Å1.10Å
CABHABAsing1.09Å1.10Å
CABHABBsing1.09Å1.10Å
CACHACsing1.09Å1.10Å
CACHACAsing1.09Å1.10Å
CACHACBsing1.09Å1.10Å
CADHADsing1.09Å1.10Å
CADHADAsing1.09Å1.10Å
CADHADBsing1.09Å1.10Å
CAEHAEsing1.09Å1.10Å
CAEHAEAsing1.09Å1.10Å
CAEHAEBsing1.09Å1.10Å
CAFHAFsing1.08Å1.08Å
CAGHAGsing1.08Å1.08Å
CAHHAHsing1.09Å1.10Å
CAHHAHAsing1.09Å1.10Å
CAIHAIsing1.09Å1.10Å
CAIHAIAsing1.09Å1.10Å
CAJHAJsing1.09Å1.10Å
CAJHAJAsing1.09Å1.10Å
CAKHAKsing1.09Å1.10Å
CAKHAKAsing1.09Å1.10Å
CALHALsing1.09Å1.10Å
CALHALAsing1.09Å1.10Å
CAMHAMsing1.09Å1.10Å
CAMHAMAsing1.09Å1.10Å
CANHANsing1.09Å1.10Å
CANHANAsing1.09Å1.10Å
CAOHAOsing1.09Å1.10Å
CAOHAOAsing1.09Å1.10Å
CAPHAPsing1.09Å1.10Å
CAPHAPAsing1.09Å1.10Å
CAQHAQsing1.09Å1.10Å
CAQHAQAsing1.09Å1.10Å
CARHARsing1.09Å1.10Å
CARHARAsing1.09Å1.10Å
CASHASsing1.09Å1.10Å
CASHASAsing1.09Å1.10Å
NAVHNAVsing0.97Å1.00Å
CBEHBEsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1C6121.5°121.5°
N1C2N3119.6°122.7°
N1C2NBI119.5°118.6°
N1C6C5119.2°118.3°
N1C6NAV124.5°120.9°
N3C2NBI120.8°118.6°
C2N3C4121.6°120.3°
C2NBICAO120.0°111.0°
C2NBICAS118.5°111.0°
N3C4C5118.6°118.8°
N3C4CAF121.5°121.7°
C5C4CAF119.9°119.5°
C4C5C6119.5°118.3°
C4C5CAG120.3°119.9°
C4CAFCAZ120.0°119.5°
C4CAFHAF120.0°120.3°
C6C5CAG120.2°121.8°
C5C6NAV116.4°120.8°
C5CAGCAY120.0°119.7°
C5CAGHAG120.0°120.1°
C6NAVCBE132.9°120.0°
C6NAVHNAV102.3°120.0°
CAAOAWCAY116.5°117.0°
OAWCAAHAA109.5°109.5°
OAWCAAHAAA109.4°109.5°
OAWCAAHAAB109.5°109.5°
CABNBFCAC106.2°111.0°
CABNBFCAM109.6°111.0°
NBFCABHAB109.5°109.5°
NBFCABHABA109.4°109.5°
NBFCABHABB109.5°109.5°
CACNBFCAM111.3°111.0°
NBFCACHAC109.5°109.5°
NBFCACHACA109.5°109.5°
NBFCACHACB109.5°109.4°
CADNBGCAN108.4°111.0°
CADNBGCAR107.4°111.0°
NBGCADHAD109.5°109.5°
NBGCADHADA109.5°109.5°
NBGCADHADB109.5°109.4°
CAENBHCAP108.6°111.0°
CAENBHCAQ109.2°111.0°
NBHCAEHAE109.5°109.5°
NBHCAEHAEA109.4°109.5°
NBHCAEHAEB109.4°109.5°
CAFCAZOAX123.4°119.6°
CAFCAZCAY119.7°120.7°
CAZCAFHAF120.0°120.2°
CAGCAYOAW121.7°119.6°
CAGCAYCAZ120.1°120.7°
CAYCAGHAG120.0°120.2°
CAJCAHCAM114.7°109.5°
CAHCAJOAX109.1°109.5°
CAJCAHHAH107.8°109.5°
CAJCAHHAHA107.8°109.5°
CAHCAJHAJ109.6°109.4°
CAHCAJHAJA109.6°109.5°
CAHCAMNBF113.1°109.5°
CAMCAHHAH107.8°109.5°
CAMCAHHAHA107.7°109.4°
CAHCAMHAM108.3°109.5°
CAHCAMHAMA108.3°109.4°
CANCAICAO116.8°111.9°
CAICANNBG112.4°108.7°
CANCAIHAI107.1°109.0°
CANCAIHAIA107.1°109.0°
CAICANHAN108.5°109.6°
CAICANHANA108.5°109.6°
CAICAONBI116.3°112.2°
CAOCAIHAI107.1°109.0°
CAOCAIHAIA107.1°109.0°
CAICAOHAO107.3°109.0°
CAICAOHAOA107.3°109.0°
CAJOAXCAZ120.3°117.0°
OAXCAJHAJ109.6°109.5°
OAXCAJHAJA109.6°109.5°
CAPCAKCBE107.7°109.3°
CAKCAPNBH113.0°109.5°
CAPCAKHAK110.1°109.5°
CAPCAKHAKA110.1°109.5°
CAKCAPHAP108.3°109.5°
CAKCAPHAPA108.3°109.4°
CAKCBECAL108.8°109.2°
CAKCBENAV115.6°109.5°
CBECAKHAK110.1°109.5°
CBECAKHAKA110.1°109.5°
CAKCBEHBE107.1°109.5°
CAQCALCBE106.8°109.3°
CALCAQNBH111.5°109.5°
CAQCALHAL110.4°109.5°
CAQCALHALA110.4°109.5°
CALCAQHAQ108.8°109.5°
CALCAQHAQA108.8°109.5°
CALCBENAV113.5°109.5°
CBECALHAL110.4°109.5°
CBECALHALA110.4°109.5°
CALCBEHBE109.6°109.5°
NBFCAMHAM108.3°109.5°
NBFCAMHAMA108.3°109.5°
CANNBGCAR111.4°114.3°
NBGCANHAN108.5°109.6°
NBGCANHANA108.5°109.7°
CAONBICAS121.4°110.0°
NBICAOHAO107.3°109.0°
NBICAOHAOA107.2°108.9°
CAPNBHCAQ118.7°111.2°
NBHCAPHAP108.3°109.5°
NBHCAPHAPA108.3°109.5°
NBHCAQHAQ108.8°109.5°
NBHCAQHAQA108.8°109.5°
CASCARNBG110.5°112.8°
CARCASNBI106.8°112.5°
CASCARHAR109.1°108.7°
CASCARHARA109.1°108.8°
CARCASHAS110.4°108.8°
CARCASHASA110.4°108.9°
NBGCARHAR109.1°108.9°
NBGCARHARA109.1°108.9°
NBICASHAS110.4°108.9°
NBICASHASA110.4°108.9°
CBENAVHNAV102.3°120.0°
NAVCBEHBE101.7°109.6°
OAWCAYCAZ118.2°119.6°
OAXCAZCAY116.9°119.7°
HAACAAHAAA109.5°109.4°
HAACAAHAAB109.4°109.4°
HAAACAAHAAB109.5°109.5°
HABCABHABA109.4°109.5°
HABCABHABB109.5°109.4°
HABACABHABB109.5°109.5°
HACCACHACA109.5°109.5°
HACCACHACB109.4°109.5°
HACACACHACB109.5°109.4°
HADCADHADA109.5°109.5°
HADCADHADB109.5°109.5°
HADACADHADB109.5°109.4°
HAECAEHAEA109.5°109.4°
HAECAEHAEB109.5°109.5°
HAEACAEHAEB109.5°109.5°
HAHCAHHAHA111.1°109.4°
HAICAIHAIA111.8°108.9°
HAJCAJHAJA109.3°109.5°
HAKCAKHAKA108.9°109.5°
HALCALHALA108.6°109.6°
HAMCAMHAMA110.6°109.4°
HANCANHANA110.4°109.7°
HAOCAOHAOA111.6°108.8°
HAPCAPHAPA110.6°109.5°
HAQCAQHAQA110.1°109.4°
HARCARHARA109.8°108.7°
HASCASHASA108.6°108.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C2N3NBI178.7°180.0°
N1C2N3C41.0°0.0°
C2N1C6C50.0°0.0°
C2N1C6NAV180.0°180.0°
N1C2NBICAO179.8°180.0°
N1C2NBICAS3.8°57.4°
C6N1C2N30.4°0.0°
C6N1C2NBI179.1°180.0°
N1C6C5C40.3°0.1°
N1C6C5NAV180.0°180.0°
N1C6C5CAG179.9°180.0°
N1C6NAVCBE7.6°0.0°
N1C6NAVHNAV127.5°180.0°
C2N3C4C51.3°0.0°
C2N3C4CAF179.9°180.0°
N3C2NBICAO1.1°0.0°
N3C2NBICAS174.9°122.7°
NBIC2N3C4179.7°180.0°
C2NBICAOCAI98.1°156.5°
C2NBICAOCAS175.9°123.2°
C2NBICASCAR95.6°142.9°
C2NBICAOHAO141.9°35.7°
C2NBICAOHAOA22.0°82.8°
C2NBICASHAS24.4°96.4°
C2NBICASHASA144.4°22.1°
N3C4C5CAF178.9°179.9°
N3C4C5C60.9°0.1°
N3C4C5CAG179.3°180.0°
N3C4CAFCAZ179.7°179.9°
N3C4CAFHAF0.3°0.1°
C4C5C6CAG179.8°180.0°
C4C5C6NAV179.7°180.0°
C5C4CAFCAZ0.8°0.1°
C4C5CAGCAY0.2°0.0°
C5C4CAFHAF179.2°180.0°
C4C5CAGHAG179.8°180.0°
CAFC4C5C6179.8°180.0°
CAFC4C5CAG0.4°0.0°
C4CAFCAZHAF180.0°179.8°
C4CAFCAZOAX179.9°180.0°
C4CAFCAZCAY1.1°0.2°
C6C5CAGCAY180.0°180.0°
C5C6NAVCBE172.5°180.0°
C6C5CAGHAG0.0°0.0°
C5C6NAVHNAV52.5°0.0°
CAGC5C6NAV0.1°0.0°
C5CAGCAYHAG180.0°180.0°
C5CAGCAYOAW179.9°180.0°
C5CAGCAYCAZ0.5°0.1°
C6NAVCBECAK56.8°155.0°
C6NAVCBECAL69.9°85.3°
C6NAVCBEHNAV120.0°180.0°
C6NAVCBEHBE172.5°34.9°
CAAOAWCAYCAG2.9°0.1°
CAAOAWCAYCAZ176.6°179.9°
OAWCAAHAAHAAA120.0°120.0°
OAWCAAHAAHAAB120.0°120.1°
OAWCAAHAAAHAAB120.0°120.1°
CABNBFCACCAM119.2°123.9°
CABNBFCAMCAH169.3°170.0°
NBFCABHABHABA120.0°120.0°
NBFCABHABHABB120.0°120.0°
NBFCABHABAHABB120.0°120.0°
CABNBFCACHAC180.0°60.0°
CABNBFCACHACA60.0°180.0°
CABNBFCACHACB60.0°60.0°
CABNBFCAMHAM70.7°49.9°
CABNBFCAMHAMA49.3°70.0°
CACNBFCAMCAH73.4°66.0°
CACNBFCABHAB180.0°56.0°
CACNBFCABHABA60.0°176.0°
CACNBFCABHABB60.0°63.9°
NBFCACHACHACA120.0°120.0°
NBFCACHACHACB120.0°120.0°
NBFCACHACAHACB120.0°119.9°
CACNBFCAMHAM46.6°173.9°
CACNBFCAMHAMA166.6°53.9°
CADNBGCANCAI149.0°140.1°
CADNBGCANCAR118.0°126.5°
CADNBGCARCAS154.3°168.4°
NBGCADHADHADA120.0°120.0°
NBGCADHADHADB120.0°120.0°
NBGCADHADAHADB120.0°119.9°
CADNBGCANHAN91.0°100.2°
CADNBGCANHANA29.0°20.3°
CADNBGCARHAR34.3°70.9°
CADNBGCARHARA85.7°47.5°
CAENBHCAPCAK166.1°174.2°
CAENBHCAQCAL168.5°174.2°
CAENBHCAPCAQ125.5°124.1°
NBHCAEHAEHAEA120.0°120.0°
NBHCAEHAEHAEB120.0°120.1°
NBHCAEHAEAHAEB120.0°120.1°
CAENBHCAPHAP73.9°54.1°
CAENBHCAPHAPA46.2°65.9°
CAENBHCAQHAQ48.5°65.8°
CAENBHCAQHAQA71.5°54.2°
CAFCAZCAYCAG0.9°0.2°
CAFCAZOAXCAJ14.9°0.1°
CAFCAZCAYOAW179.6°179.9°
CAFCAZOAXCAY178.8°179.8°
CAGCAYOAWCAZ179.5°179.9°
CAGCAYCAZOAX179.8°180.0°
CAJCAHCAMHAH120.0°120.1°
CAJCAHCAMHAHA120.0°120.0°
CAHCAJOAXHAJ120.0°120.0°
CAHCAJOAXHAJA120.0°120.0°
CAJCAHCAMNBF69.7°180.0°
CAHCAJOAXCAZ179.2°180.0°
CAJCAHHAHHAHA117.8°120.0°
CAHCAJHAJHAJA120.2°120.0°
CAJCAHCAMHAM170.3°59.9°
CAJCAHCAMHAMA50.3°60.0°
CAMCAHCAJOAX55.5°180.0°
CAHCAMNBFHAM120.0°120.1°
CAHCAMNBFHAMA120.0°119.9°
CAMCAHHAHHAHA117.8°119.9°
CAMCAHCAJHAJ175.5°60.0°
CAMCAHCAJHAJA64.5°60.0°
CAHCAMHAMHAMA118.5°119.9°
CANCAICAOHAI120.0°120.6°
CANCAICAOHAIA120.0°120.6°
CAICANNBGHAN120.0°119.7°
CAICANNBGHANA120.0°119.8°
CANCAICAONBI19.9°60.9°
CAICANNBGCAR93.0°93.4°
CANCAIHAIHAIA117.0°118.8°
CAICANHANHANA118.8°120.4°
CANCAICAOHAO100.1°178.4°
CANCAICAOHAOA139.9°59.8°
CAOCAICANNBG46.2°78.6°
CAICAONBIHAO120.0°120.8°
CAICAONBIHAOA120.0°120.7°
CAICAONBICAS77.8°80.3°
CAOCAIHAIHAIA117.0°118.8°
CAOCAICANHAN73.8°41.1°
CAOCAICANHANA166.2°161.6°
CAICAOHAOHAOA117.2°118.7°
CAJOAXCAZCAY166.3°179.9°
OAXCAJCAHHAH175.6°60.0°
OAXCAJCAHHAHA64.5°60.0°
OAXCAJHAJHAJA120.2°120.0°
CAPCAKCBEHAK120.0°120.0°
CAPCAKCBEHAKA120.0°119.9°
CAPCAKCBECAL65.7°57.6°
CAKCAPNBHHAP120.0°120.0°
CAKCAPNBHHAPA120.0°120.0°
CAKCAPNBHCAQ40.7°61.8°
CAPCAKCBENAV165.2°177.5°
CAPCAKHAKHAKA120.8°120.1°
CAKCAPHAPHAPA118.6°119.9°
CAPCAKCBEHBE52.7°62.3°
CAKCBECALCAQ68.7°57.7°
CAKCBECALNAV130.3°119.9°
CAKCBECALHBE116.8°119.9°
CBECAKCAPNBH49.7°59.2°
CAKCBENAVHBE115.7°120.1°
CBECAKHAKHAKA120.7°120.1°
CAKCBECALHAL51.4°62.3°
CAKCBECALHALA171.4°177.6°
CBECAKCAPHAP169.7°179.2°
CBECAKCAPHAPA70.3°60.9°
CAKCBENAVHNAV63.2°25.0°
CAQCALCBEHAL120.0°119.9°
CAQCALCBEHALA120.0°119.9°
CALCAQNBHCAP43.3°61.8°
CALCAQNBHHAQ120.0°120.0°
CALCAQNBHHAQA120.0°120.0°
CAQCALCBENAV161.1°177.6°
CAQCALHALHALA121.1°120.1°
CALCAQHAQHAQA119.2°119.9°
CAQCALCBEHBE48.1°62.2°
CBECALCAQNBH55.1°59.2°
CALCBENAVHBE117.6°120.2°
CALCBECAKHAK174.3°177.6°
CALCBECAKHAKA54.3°62.3°
CBECALHALHALA121.1°120.1°
CBECALCAQHAQ64.9°60.9°
CBECALCAQHAQA175.1°179.2°
CALCBENAVHNAV170.1°94.7°
CAMNBFCABHAB59.6°180.0°
CAMNBFCABHABA179.6°60.0°
CAMNBFCABHABB60.4°60.1°
CAMNBFCACHAC60.8°64.0°
CAMNBFCACHACA59.2°56.1°
CAMNBFCACHACB179.3°176.0°
NBFCAMCAHHAH50.3°59.9°
NBFCAMCAHHAHA170.3°60.0°
NBFCAMHAMHAMA118.5°120.0°
CANNBGCARCAS87.2°41.9°
CANNBGCADHAD180.0°60.0°
CANNBGCADHADA60.0°180.0°
CANNBGCADHADB60.0°60.1°
NBGCANCAIHAI73.8°42.0°
NBGCANCAIHAIA166.2°160.8°
NBGCANHANHANA118.8°120.5°
CANNBGCARHAR152.8°162.7°
CANNBGCARHARA32.9°79.0°
CAONBICASCAR80.3°93.9°
NBICAOCAIHAI139.9°59.8°
NBICAOCAIHAIA100.1°178.5°
NBICAOHAOHAOA117.2°118.6°
CAONBICASHAS159.6°26.9°
CAONBICASHASA39.6°145.4°
CAPNBHCAEHAE180.0°60.0°
CAPNBHCAEHAEA60.0°179.9°
CAPNBHCAEHAEB60.0°60.0°
NBHCAPCAKHAK169.7°179.2°
NBHCAPCAKHAKA70.3°60.8°
NBHCAPHAPHAPA118.6°120.0°
CAPNBHCAQHAQ76.7°58.2°
CAPNBHCAQHAQA163.3°178.2°
CAQNBHCAEHAE49.2°64.2°
CAQNBHCAEHAEA169.2°55.8°
CAQNBHCAEHAEB70.8°175.8°
NBHCAQCALHAL64.9°60.7°
NBHCAQCALHALA175.1°179.1°
CAQNBHCAPHAP160.7°178.2°
CAQNBHCAPHAPA79.3°58.2°
NBHCAQHAQHAQA119.2°120.0°
CASCARNBGHAR120.0°120.8°
CASCARNBGHARA120.0°120.9°
CARCASNBIHAS120.0°120.7°
CARCASNBIHASA120.0°120.8°
CASCARHARHARA119.6°118.3°
CARCASHASHASA121.1°118.5°
NBGCARCASNBI66.7°41.6°
CARNBGCADHAD59.5°171.7°
CARNBGCADHADA60.5°51.7°
CARNBGCADHADB179.5°68.2°
CARNBGCANHAN27.0°26.3°
CARNBGCANHANA147.0°146.8°
NBGCARHARHARA119.5°118.5°
NBGCARCASHAS173.4°79.1°
NBGCARCASHASA53.3°162.4°
CASNBICAOHAO42.2°158.9°
CASNBICAOHAOA162.2°40.4°
NBICASCARHAR173.4°79.3°
NBICASCARHARA53.3°162.5°
NBICASHASHASA121.1°118.5°
NAVCBECAKHAK45.3°62.5°
NAVCBECAKHAKA74.8°57.6°
NAVCBECALHAL78.9°57.6°
NAVCBECALHALA41.1°62.5°
OAWCAYCAZOAX0.7°0.1°
CAYOAWCAAHAA180.0°180.0°
CAYOAWCAAHAAA60.0°60.1°
CAYOAWCAAHAAB60.0°59.9°
OAWCAYCAGHAG0.1°0.0°
OAXCAZCAFHAF0.1°0.2°
CAZOAXCAJHAJ59.2°60.1°
CAZOAXCAJHAJA60.8°60.0°
CAYCAZCAFHAF178.9°180.0°
CAZCAYCAGHAG179.5°179.9°
HAACAAHAAAHAAB120.0°119.9°
HABCABHABAHABB120.0°120.0°
HACCACHACAHACB120.0°120.0°
HADCADHADAHADB120.0°120.1°
HAECAEHAEAHAEB120.0°119.9°
HAHCAHCAJHAJ64.5°60.1°
HAHCAHCAJHAJA55.6°180.0°
HAHCAHCAMHAM69.7°180.0°
HAHCAHCAMHAMA170.3°60.1°
HAHACAHCAJHAJ55.5°180.0°
HAHACAHCAJHAJA175.5°60.0°
HAHACAHCAMHAM50.3°60.1°
HAHACAHCAMHAMA69.7°180.0°
HAICAICANHAN166.2°161.7°
HAICAICANHANA46.2°77.8°
HAICAICAOHAO19.9°61.0°
HAICAICAOHAOA100.1°179.6°
HAIACAICANHAN46.2°79.5°
HAIACAICANHANA73.8°40.9°
HAIACAICAOHAO139.9°57.8°
HAIACAICAOHAOA19.9°60.8°
HAKCAKCAPHAP70.3°60.8°
HAKCAKCAPHAPA49.7°59.1°
HAKCAKCBEHBE67.3°57.7°
HAKACAKCAPHAP49.7°59.3°
HAKACAKCAPHAPA169.7°179.2°
HAKACAKCBEHBE172.7°177.8°
HALCALCAQHAQ175.1°179.2°
HALCALCAQHAQA55.1°59.3°
HALCALCBEHBE168.2°177.8°
HALACALCAQHAQ55.0°59.0°
HALACALCAQHAQA64.9°60.9°
HALACALCBEHBE71.8°57.7°
HARCARCASHAS53.4°160.0°
HARCARCASHASA66.7°41.5°
HARACARCASHAS66.7°41.7°
HARACARCASHASA173.3°76.7°
HNAVNAVCBEHBE52.5°145.2°

222415

PDB entries from 2024-07-10

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