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Q4A

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2NANsing1.38Å1.33Å
C2N1doub1.33Å1.34ÅAromatic
C2N3sing1.32Å1.34ÅAromatic
C5C4sing1.42Å1.39ÅAromatic
C5CAFsing1.40Å1.39ÅAromatic
C5C6doub1.42Å1.39ÅAromatic
C4N3doub1.34Å1.34ÅAromatic
C4CACsing1.40Å1.39ÅAromatic
CAOCAPsing1.54Å1.53Å
CAONANsing1.44Å1.47Å
CAPCAQsing1.46Å1.53Å
CAQNARsing1.48Å1.47Å
NARCAUsing1.47Å1.47Å
NARCASsing1.44Å1.47Å
CASCATsing1.54Å1.53Å
CATNANsing1.48Å1.47Å
N1C6sing1.33Å1.34ÅAromatic
CACCADdoub1.38Å1.39ÅAromatic
CADOALsing1.36Å1.36Å
CADCAEsing1.40Å1.39ÅAromatic
OALCBIsing1.43Å1.43Å
CAEOAKsing1.36Å1.36Å
CAECAFdoub1.37Å1.39ÅAromatic
OAKCBJsing1.43Å1.43Å
C6NAMsing1.38Å1.33Å
NAMCAVsing1.47Å1.47Å
CAVCBAsing1.53Å1.53Å
CAVCAWsing1.53Å1.53Å
CBACAZsing1.53Å1.53Å
CAZNAYsing1.47Å1.47Å
CAWCAXsing1.53Å1.53Å
CAXNAYsing1.47Å1.47Å
NAYCBBsing1.47Å1.47Å
CBBCBCsing1.51Å1.53Å
CBCCBDdoub1.38Å1.39ÅAromatic
CBCCBHsing1.38Å1.39ÅAromatic
CBDCBEsing1.38Å1.39ÅAromatic
CBECBFdoub1.38Å1.39ÅAromatic
CBFCBGsing1.38Å1.39ÅAromatic
CBGCBHdoub1.38Å1.39ÅAromatic
CAOHAOsing1.09Å1.10Å
CAOHAOAsing1.09Å1.10Å
CAPHAPsing1.09Å1.10Å
CAPHAPAsing1.09Å1.10Å
CAQHAQsing1.09Å1.10Å
CAQHAQAsing1.09Å1.10Å
CAUHAUsing1.09Å1.10Å
CAUHAUAsing1.09Å1.10Å
CAUHAUBsing1.09Å1.10Å
CASHASsing1.09Å1.10Å
CASHASAsing1.09Å1.10Å
CATHATsing1.09Å1.10Å
CATHATAsing1.09Å1.10Å
CACHACsing1.08Å1.08Å
CBIHBIsing1.09Å1.10Å
CBIHBIAsing1.09Å1.10Å
CBIHBIBsing1.09Å1.10Å
CBJHBJsing1.09Å1.10Å
CBJHBJAsing1.09Å1.10Å
CBJHBJBsing1.09Å1.10Å
CAFHAFsing1.08Å1.08Å
NAMHNAMsing0.97Å1.00Å
CAVHAVsing1.09Å1.10Å
CBAHBAsing1.09Å1.10Å
CBAHBAAsing1.09Å1.10Å
CAZHAZsing1.09Å1.10Å
CAZHAZAsing1.09Å1.10Å
CAWHAWsing1.09Å1.10Å
CAWHAWAsing1.09Å1.10Å
CAXHAXsing1.09Å1.10Å
CAXHAXAsing1.09Å1.10Å
CBBHBBsing1.09Å1.10Å
CBBHBBAsing1.09Å1.10Å
CBDHBDsing1.08Å1.08Å
CBEHBEsing1.08Å1.08Å
CBFHBFsing1.08Å1.08Å
CBGHBGsing1.08Å1.08Å
CBHHBHsing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NANC2N1120.5°118.7°
NANC2N3118.6°118.6°
C2NANCAO120.0°111.0°
C2NANCAT117.6°111.0°
N1C2N3120.8°122.7°
C2N1C6120.7°121.5°
C2N3C4120.8°120.4°
C4C5CAF119.6°119.9°
C4C5C6118.6°118.3°
C5C4N3119.5°118.8°
C5C4CAC120.1°119.4°
CAFC5C6121.7°121.8°
C5CAFCAE120.4°119.7°
C5CAFHAF119.8°120.1°
C5C6N1119.5°118.3°
C5C6NAM119.5°120.8°
N3C4CAC120.3°121.8°
C4CACCAD120.4°119.6°
C4CACHAC119.8°120.2°
CAPCAONAN111.6°108.6°
CAOCAPCAQ113.2°111.8°
CAPCAOHAO108.8°109.6°
CAPCAOHAOA108.3°109.6°
CAOCAPHAP108.2°109.0°
CAOCAPHAPA107.4°109.0°
CAONANCAT122.3°114.3°
NANCAOHAO108.8°109.6°
NANCAOHAOA108.3°109.6°
CAPCAQNAR111.2°112.3°
CAQCAPHAP108.2°109.0°
CAQCAPHAPA107.4°109.0°
CAPCAQHAQ108.9°108.9°
CAPCAQHAQA108.5°108.9°
CAQNARCAU109.8°111.0°
CAQNARCAS109.5°110.0°
NARCAQHAQ108.9°108.9°
NARCAQHAQA108.5°109.0°
CAUNARCAS109.3°111.0°
NARCAUHAU109.5°109.4°
NARCAUHAUA109.4°109.5°
NARCAUHAUB109.4°109.5°
NARCASCAT110.1°112.5°
NARCASHAS109.3°108.9°
NARCASHASA109.1°108.9°
CASCATNAN109.6°112.8°
CATCASHAS109.3°108.9°
CATCASHASA109.2°108.8°
CASCATHAT109.4°108.8°
CASCATHATA109.4°108.8°
NANCATHAT109.4°108.8°
NANCATHATA109.4°108.8°
N1C6NAM121.0°120.8°
CACCADOAL121.4°119.7°
CACCADCAE119.6°120.7°
CADCACHAC119.8°120.2°
OALCADCAE119.0°119.7°
CADOALCBI113.1°117.0°
CADCAEOAK118.7°119.6°
CADCAECAF119.9°120.8°
OALCBIHBI109.5°109.5°
OALCBIHBIA109.5°109.5°
OALCBIHBIB109.4°109.4°
OAKCAECAF121.2°119.6°
CAEOAKCBJ113.0°117.0°
CAECAFHAF119.8°120.2°
OAKCBJHBJ109.5°109.4°
OAKCBJHBJA109.5°109.5°
OAKCBJHBJB109.5°109.5°
C6NAMCAV122.8°120.0°
C6NAMHNAM105.3°120.0°
NAMCAVCBA110.6°109.5°
NAMCAVCAW108.8°109.5°
CAVNAMHNAM105.2°120.0°
NAMCAVHAV108.9°109.5°
CBACAVCAW108.6°109.2°
CAVCBACAZ110.6°109.2°
CBACAVHAV109.1°109.5°
CAVCBAHBA109.1°109.5°
CAVCBAHBAA108.9°109.5°
CAVCAWCAX111.0°109.3°
CAWCAVHAV110.9°109.6°
CAVCAWHAW109.0°109.5°
CAVCAWHAWA108.6°109.5°
CBACAZNAY109.8°109.5°
CAZCBAHBA109.1°109.5°
CAZCBAHBAA108.9°109.6°
CBACAZHAZ109.3°109.5°
CBACAZHAZA109.3°109.4°
CAZNAYCAX109.9°111.2°
CAZNAYCBB110.2°111.0°
NAYCAZHAZ109.3°109.5°
NAYCAZHAZA109.3°109.4°
CAWCAXNAY110.2°109.5°
CAXCAWHAW109.0°109.5°
CAXCAWHAWA108.6°109.5°
CAWCAXHAX109.2°109.5°
CAWCAXHAXA109.1°109.5°
CAXNAYCBB108.3°111.0°
NAYCAXHAX109.3°109.4°
NAYCAXHAXA109.1°109.4°
NAYCBBCBC112.0°109.5°
NAYCBBHBB108.7°109.5°
NAYCBBHBBA108.1°109.5°
CBBCBCCBD120.2°120.0°
CBBCBCCBH120.0°120.0°
CBCCBBHBB108.6°109.5°
CBCCBBHBBA108.1°109.4°
CBDCBCCBH119.7°120.0°
CBCCBDCBE120.1°120.0°
CBCCBDHBD120.0°120.0°
CBCCBHCBG120.3°120.0°
CBCCBHHBH119.9°120.0°
CBDCBECBF120.1°119.9°
CBECBDHBD120.0°120.0°
CBDCBEHBE119.9°120.0°
CBECBFCBG119.9°120.0°
CBFCBEHBE120.0°120.1°
CBECBFHBF120.0°119.9°
CBFCBGCBH119.9°120.0°
CBGCBFHBF120.0°120.0°
CBFCBGHBG120.1°119.9°
CBHCBGHBG120.1°120.1°
CBGCBHHBH119.8°120.0°
HAOCAOHAOA111.1°109.8°
HAPCAPHAPA112.4°109.0°
HAQCAQHAQA110.8°108.8°
HAUCAUHAUA109.4°109.5°
HAUCAUHAUB109.5°109.4°
HAUACAUHAUB109.5°109.5°
HASCASHASA109.9°108.8°
HATCATHATA109.5°108.7°
HBICBIHBIA109.5°109.5°
HBICBIHBIB109.4°109.4°
HBIACBIHBIB109.5°109.5°
HBJCBJHBJA109.5°109.4°
HBJCBJHBJB109.5°109.5°
HBJACBJHBJB109.5°109.5°
HBACBAHBAA110.3°109.5°
HAZCAZHAZA109.8°109.5°
HAWCAWHAWA110.7°109.5°
HAXCAXHAXA110.0°109.5°
HBBCBBHBBA111.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NANC2N1N3178.5°179.7°
NANC2N3C4177.9°180.0°
C2NANCAOCAP92.9°140.1°
C2NANCAOCAT178.5°126.5°
C2NANCATCAS106.0°168.3°
NANC2N1C6177.9°180.0°
C2NANCAOHAO27.1°100.2°
C2NANCAOHAOA147.9°20.4°
C2NANCATHAT134.0°70.8°
C2NANCATHATA14.0°47.5°
C2N1C6C50.2°0.0°
N1C2N3C40.6°0.3°
N1C2NANCAO1.8°180.0°
N1C2NANCAT179.6°51.7°
C2N1C6NAM179.0°179.7°
C2N3C4C50.0°0.0°
C2N3C4CAC176.5°179.9°
N3C2NANCAO179.7°0.3°
N3C2NANCAT1.1°128.0°
N3C2N1C60.5°0.3°
C4C5CAFC6176.2°179.8°
C5C4N3CAC176.5°179.9°
C4C5C6N10.9°0.3°
C5C4CACCAD1.1°0.0°
C4C5CAFCAE0.3°0.0°
C4C5C6NAM179.7°180.0°
C5C4CACHAC178.9°180.0°
C4C5CAFHAF179.7°179.9°
CAFC5C4N3175.6°180.0°
CAFC5C4CAC0.9°0.0°
CAFC5C6N1175.4°180.0°
C5CAFCAECAD1.2°0.0°
C5CAFCAEOAK173.6°180.0°
C5CAFCAEHAF180.0°179.9°
CAFC5C6NAM3.4°0.2°
C6C5C4N30.8°0.3°
C6C5C4CAC177.2°179.8°
C5C6N1NAM178.8°179.7°
C6C5CAFCAE176.0°179.8°
C5C6NAMCAV178.3°180.0°
C6C5CAFHAF4.0°0.3°
C5C6NAMHNAM61.7°0.0°
N3C4CACCAD175.3°180.0°
N3C4CACHAC4.7°0.1°
C4CACCADHAC180.0°179.9°
C4CACCADOAL178.1°180.0°
C4CACCADCAE0.1°0.0°
CAPCAONANHAO120.0°119.7°
CAPCAONANHAOA119.1°119.7°
CAOCAPCAQHAP120.0°120.6°
CAOCAPCAQHAPA118.4°120.6°
CAOCAPCAQNAR45.0°60.9°
CAPCAONANCAT88.5°93.4°
CAPCAOHAOHAOA119.2°120.4°
CAOCAPHAPHAPA118.5°118.8°
CAOCAPCAQHAQ165.0°178.4°
CAOCAPCAQHAQA74.3°59.9°
NANCAOCAPCAQ30.5°78.6°
CAONANCATCAS75.4°41.8°
NANCAOHAOHAOA119.1°120.4°
NANCAOCAPHAP150.5°42.0°
NANCAOCAPHAPA87.9°160.8°
CAONANCATHAT44.6°162.7°
CAONANCATHATA164.6°79.0°
CAPCAQNARHAQ120.0°120.7°
CAPCAQNARHAQA119.3°120.7°
CAPCAQNARCAU137.7°156.5°
CAPCAQNARCAS102.3°80.3°
CAQCAPCAOHAO150.5°41.2°
CAQCAPCAOHAOA88.6°161.7°
CAQCAPHAPHAPA118.5°118.8°
CAPCAQHAQHAQA119.3°118.6°
CAQNARCAUCAS120.1°122.6°
CAQNARCASCAT83.2°93.9°
NARCAQCAPHAP75.0°59.7°
NARCAQCAPHAPA163.4°178.5°
NARCAQHAQHAQA119.3°118.7°
CAQNARCAUHAU34.5°60.0°
CAQNARCAUHAUA154.4°179.9°
CAQNARCAUHAUB85.5°60.0°
CAQNARCASHAS156.8°145.4°
CAQNARCASHASA36.6°26.9°
CAUNARCASCAT156.5°142.9°
CAUNARCAQHAQ17.7°35.7°
CAUNARCAQHAQA103.1°82.8°
NARCAUHAUHAUA120.0°120.0°
NARCAUHAUHAUB120.0°120.0°
NARCAUHAUAHAUB120.0°120.1°
CAUNARCASHAS36.6°22.1°
CAUNARCASHASA83.7°96.4°
NARCASCATHAS120.0°120.8°
NARCASCATHASA119.7°120.8°
NARCASCATNAN53.8°41.6°
CASNARCAQHAQ137.7°159.0°
CASNARCAQHAQA16.9°40.4°
CASNARCAUHAU85.6°62.7°
CASNARCAUHAUA34.4°57.3°
CASNARCAUHAUB154.4°177.4°
NARCASHASHASA119.7°118.5°
NARCASCATHAT66.2°79.2°
NARCASCATHATA173.7°162.4°
CASCATNANHAT120.0°120.9°
CASCATNANHATA120.0°120.8°
CATCASHASHASA119.8°118.5°
CASCATHATHATA119.9°118.4°
CATNANCAOHAO151.5°26.4°
CATNANCAOHAOA30.6°146.9°
NANCATCASHAS173.8°162.4°
NANCATCASHASA66.0°79.1°
NANCATHATHATA120.0°118.3°
N1C6NAMCAV0.5°0.3°
N1C6NAMHNAM119.5°179.8°
CACCADOALCAE177.9°180.0°
CACCADOALCBI24.5°0.0°
CACCADCAEOAK174.0°180.0°
CACCADCAECAF1.0°0.0°
OALCADCAEOAK8.1°0.0°
OALCADCAECAF177.0°180.0°
OALCADCACHAC1.9°0.1°
CADOALCBIHBI43.1°60.0°
CADOALCBIHBIA77.0°180.0°
CADOALCBIHBIB163.0°60.0°
CAECADOALCBI157.6°180.0°
CADCAEOAKCAF174.9°179.9°
CADCAEOAKCBJ154.2°180.0°
CAECADCACHAC179.8°180.0°
CADCAECAFHAF178.8°180.0°
OALCBIHBIHBIA120.0°120.1°
OALCBIHBIHBIB119.9°120.0°
OALCBIHBIAHBIB120.0°120.0°
CAEOAKCBJHBJ166.2°179.9°
CAEOAKCBJHBJA46.2°60.0°
CAEOAKCBJHBJB73.8°60.0°
OAKCAECAFHAF6.4°0.1°
CAFCAEOAKCBJ30.9°0.0°
OAKCBJHBJHBJA120.0°120.0°
OAKCBJHBJHBJB120.0°120.0°
OAKCBJHBJAHBJB120.0°120.0°
C6NAMCAVHNAM120.0°180.0°
C6NAMCAVCBA104.2°155.0°
C6NAMCAVCAW136.7°85.3°
C6NAMCAVHAV15.7°34.9°
NAMCAVCBACAW119.3°119.9°
NAMCAVCBAHAV119.8°120.1°
NAMCAVCAWHAV119.8°120.2°
NAMCAVCBACAZ174.5°177.6°
NAMCAVCAWCAX175.0°177.5°
NAMCAVCBAHBA65.5°62.5°
NAMCAVCBAHBAA54.9°57.6°
NAMCAVCAWHAW54.9°57.6°
NAMCAVCAWHAWA65.7°62.5°
CBACAVCAWHAV119.8°120.0°
CAVCBACAZHBA120.0°119.9°
CAVCBACAZHBAA119.6°119.9°
CAVCBACAZNAY59.7°59.2°
CBACAVCAWCAX54.6°57.7°
CBACAVNAMHNAM15.9°25.0°
CAVCBAHBAHBAA119.5°120.1°
CAVCBACAZHAZ60.3°60.9°
CAVCBACAZHAZA179.5°179.2°
CBACAVCAWHAW65.5°62.3°
CBACAVCAWHAWA173.9°177.6°
CAWCAVCBACAZ55.2°57.7°
CAVCAWCAXHAW120.0°120.0°
CAVCAWCAXHAWA119.3°119.9°
CAVCAWCAXNAY58.3°59.2°
CAWCAVNAMHNAM103.3°94.7°
CAWCAVCBAHBA175.2°177.6°
CAWCAVCBAHBAA64.4°62.3°
CAVCAWHAWHAWA119.4°120.1°
CAVCAWCAXHAX178.3°179.2°
CAVCAWCAXHAXA61.4°60.8°
CBACAZNAYHAZ120.0°120.1°
CBACAZNAYHAZA119.9°119.9°
CBACAZNAYCAX62.2°61.8°
CBACAZNAYCBB178.5°174.1°
CAZCBACAVHAV65.7°62.4°
CAZCBAHBAHBAA119.5°120.2°
CBACAZHAZHAZA119.9°120.0°
CAZNAYCAXCAW61.5°61.7°
CAZNAYCAXCBB120.5°124.1°
CAZNAYCBBCBC83.2°170.0°
NAYCAZCBAHBA179.7°179.1°
NAYCAZCBAHBAA59.9°60.7°
NAYCAZHAZHAZA119.8°120.0°
CAZNAYCAXHAX178.5°178.2°
CAZNAYCAXHAXA58.2°58.3°
CAZNAYCBBHBB156.8°70.0°
CAZNAYCBBHBBA35.7°50.1°
CAWCAXNAYHAX120.0°120.0°
CAWCAXNAYHAXA119.7°120.0°
CAWCAXNAYCBB178.0°174.2°
CAXCAWCAVHAV65.3°62.3°
CAXCAWHAWHAWA119.4°120.1°
CAWCAXHAXHAXA119.7°120.0°
CAXNAYCBBCBC156.6°65.8°
CAXNAYCAZHAZ57.8°58.3°
CAXNAYCAZHAZA177.9°178.3°
NAYCAXCAWHAW61.8°60.8°
NAYCAXCAWHAWA177.6°179.1°
NAYCAXHAXHAXA119.7°119.9°
CAXNAYCBBHBB36.6°54.2°
CAXNAYCBBHBBA84.5°174.3°
NAYCBBCBCHBB120.0°120.0°
NAYCBBCBCHBBA118.9°120.0°
NAYCBBCBCCBD97.5°90.0°
NAYCBBCBCCBH84.6°90.3°
CBBNAYCAZHAZ61.5°65.8°
CBBNAYCAZHAZA58.6°54.2°
CBBNAYCAXHAX58.0°54.2°
CBBNAYCAXHAXA62.2°65.8°
NAYCBBHBBHBBA119.0°120.0°
CBBCBCCBDCBH178.0°179.7°
CBBCBCCBDCBE177.9°180.0°
CBBCBCCBHCBG178.0°179.8°
CBCCBBHBBHBBA119.0°120.0°
CBBCBCCBDHBD2.0°0.0°
CBBCBCCBHHBH2.0°0.0°
CBCCBDCBEHBD180.0°180.0°
CBCCBDCBECBF0.1°0.0°
CBDCBCCBHCBG0.0°0.5°
CBDCBCCBBHBB142.5°30.0°
CBDCBCCBBHBBA21.4°150.1°
CBCCBDCBEHBE179.9°180.0°
CBDCBCCBHHBH180.0°179.8°
CBHCBCCBDCBE0.0°0.2°
CBCCBHCBGCBF0.1°0.5°
CBCCBHCBGHBH180.0°179.7°
CBHCBCCBBHBB35.4°149.7°
CBHCBCCBBHBBA156.5°29.7°
CBHCBCCBDHBD180.0°179.7°
CBCCBHCBGHBG179.9°179.7°
CBDCBECBFHBE180.0°180.0°
CBDCBECBFCBG0.0°0.0°
CBDCBECBFHBF180.0°179.9°
CBECBFCBGHBF180.0°179.9°
CBECBFCBGCBH0.0°0.2°
CBFCBECBDHBD180.0°180.0°
CBECBFCBGHBG180.0°180.0°
CBFCBGCBHHBG180.0°179.8°
CBGCBFCBEHBE180.0°180.0°
CBFCBGCBHHBH179.9°179.8°
CBHCBGCBFHBF180.0°179.8°
HAOCAOCAPHAP89.5°161.7°
HAOCAOCAPHAPA32.1°79.5°
HAOACAOCAPHAP31.4°77.7°
HAOACAOCAPHAPA153.0°41.1°
HAPCAPCAQHAQ45.0°61.0°
HAPCAPCAQHAQA165.7°179.5°
HAPACAPCAQHAQ76.6°57.8°
HAPACAPCAQHAQA44.1°60.7°
HAUCAUHAUAHAUB120.0°120.0°
HASCASCATHAT53.8°41.5°
HASCASCATHATA66.3°76.8°
HASACASCATHAT174.0°160.0°
HASACASCATHATA54.0°41.7°
HBICBIHBIAHBIB120.0°120.0°
HBJCBJHBJAHBJB120.0°120.0°
HNAMNAMCAVHAV135.7°145.1°
HAVCAVCBAHBA54.3°57.6°
HAVCAVCBAHBAA174.7°177.7°
HAVCAVCAWHAW174.7°177.8°
HAVCAVCAWHAWA54.1°57.7°
HBACBACAZHAZ59.7°59.1°
HBACBACAZHAZA60.5°60.9°
HBAACBACAZHAZ179.9°179.2°
HBAACBACAZHAZA60.0°59.2°
HAWCAWCAXHAX58.3°59.2°
HAWCAWCAXHAXA178.6°179.2°
HAWACAWCAXHAX62.4°60.9°
HAWACAWCAXHAXA57.9°59.1°
HBDCBDCBEHBE0.0°0.1°
HBECBECBFHBF0.0°0.0°
HBFCBFCBGHBG0.0°0.0°
HBGCBGCBHHBH0.1°0.0°

222415

PDB entries from 2024-07-10

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