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ZTX

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2N1doub1.32Å1.37ÅAromatic
N1C6sing1.33Å1.33ÅAromatic
NANC2sing1.39Å1.33Å
N3C2sing1.33Å1.35ÅAromatic
N3C4doub1.33Å1.34ÅAromatic
NAEC4sing1.39Å1.34Å
C4C5sing1.40Å1.40ÅAromatic
C5C6doub1.39Å1.39ÅAromatic
C5NBGsing1.39Å1.35Å
C6H6sing1.08Å1.08Å
CABOAAdoub1.22Å1.24Å
CACCABsing1.47Å1.55Å
CABNBGsing1.33Å1.37Å
CADCACdoub1.40Å1.40ÅAromatic
CAKCACsing1.40Å1.41ÅAromatic
CALCADsing1.39Å1.41ÅAromatic
CADNAEsing1.39Å1.35Å
CAFNAEsing1.47Å1.49Å
CAFHAFsing1.09Å1.10Å
CAFHAFAsing1.09Å1.10Å
CAFHAFBsing1.09Å1.10Å
CAHCALdoub1.38Å1.40ÅAromatic
CAHCAIsing1.39Å1.40ÅAromatic
CAHHAHsing1.08Å1.08Å
CAICAKdoub1.38Å1.41ÅAromatic
CAIHAIsing1.08Å1.08Å
CAKHAKsing1.08Å1.08Å
CALHALsing1.08Å1.08Å
CAONANsing1.40Å1.35Å
NANHNANsing0.97Å1.00Å
CAPCAOdoub1.39Å1.40ÅAromatic
CBACAOsing1.39Å1.41ÅAromatic
CAQCAPsing1.38Å1.38ÅAromatic
CAPHAPsing1.08Å1.08Å
CARCAQdoub1.39Å1.39ÅAromatic
CAQHAQsing1.08Å1.08Å
NASCARsing1.40Å1.41Å
CARCAZsing1.39Å1.41ÅAromatic
CATNASsing1.47Å1.51Å
NASCAYsing1.47Å1.51Å
CAUCATsing1.53Å1.56Å
CATHATsing1.09Å1.10Å
CATHATAsing1.09Å1.10Å
CAUCAVsing1.53Å1.55Å
CAUHAUsing1.09Å1.10Å
CAUHAUAsing1.09Å1.10Å
OAWCAVsing1.43Å1.44Å
CAVCAXsing1.53Å1.54Å
CAVHAVsing1.09Å1.10Å
OAWHOAWsing0.97Å0.95Å
CAXCAYsing1.53Å1.53Å
CAXHAXsing1.09Å1.10Å
CAXHAXAsing1.09Å1.10Å
CAYHAYsing1.09Å1.10Å
CAYHAYAsing1.09Å1.10Å
CAZCBAdoub1.38Å1.40ÅAromatic
CAZHAZsing1.08Å1.08Å
CBAHBAsing1.08Å1.08Å
NBGCBHsing1.47Å1.48Å
CBHHBHsing1.09Å1.10Å
CBHHBHAsing1.09Å1.10Å
CBHHBHBsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1C6120.9°121.0°
N1C2NAN118.6°119.2°
N1C2N3121.2°121.6°
N1C6C5119.3°119.3°
N1C6H6120.4°120.4°
NANC2N3120.2°119.2°
C2NANCAO129.5°120.0°
C2NANHNAN115.2°120.0°
C2N3C4119.5°120.6°
N3C4NAE112.9°120.0°
N3C4C5120.1°119.3°
NAEC4C5126.9°120.6°
C4NAECAD116.8°119.0°
C4NAECAF120.0°120.5°
C4C5C6118.9°118.1°
C4C5NBG126.8°122.0°
C6C5NBG114.3°119.9°
C5C6H6120.3°120.4°
C5NBGCAB123.5°126.9°
C5NBGCBH118.6°116.6°
OAACABCAC117.6°117.2°
OAACABNBG119.0°117.2°
CACCABNBG123.1°125.6°
CABCACCAD124.3°120.7°
CABCACCAK115.1°119.8°
CABNBGCBH117.9°116.5°
CADCACCAK120.6°119.4°
CACCADCAL119.8°119.8°
CACCADNAE124.2°120.5°
CACCAKCAI119.3°120.0°
CACCAKHAK120.4°120.0°
CALCADNAE115.8°119.6°
CADCALCAH119.7°120.0°
CADCALHAL120.2°120.0°
CADNAECAF123.1°120.5°
NAECAFHAF109.5°109.5°
NAECAFHAFA109.5°109.5°
NAECAFHAFB109.4°109.5°
HAFCAFHAFA109.5°109.4°
HAFCAFHAFB109.5°109.5°
HAFACAFHAFB109.5°109.5°
CALCAHCAI120.5°120.3°
CALCAHHAH119.7°119.8°
CAHCALHAL120.2°120.0°
CAICAHHAH119.7°119.8°
CAHCAICAK120.0°120.4°
CAHCAIHAI120.0°119.8°
CAKCAIHAI120.0°119.8°
CAICAKHAK120.3°120.0°
CAONANHNAN115.3°120.0°
NANCAOCAP115.7°120.0°
NANCAOCBA125.1°120.0°
CAPCAOCBA119.2°120.0°
CAOCAPCAQ122.1°120.0°
CAOCAPHAP119.0°120.0°
CAOCBACAZ119.1°120.0°
CAOCBAHBA120.5°120.0°
CAQCAPHAP118.9°120.0°
CAPCAQCAR118.7°120.0°
CAPCAQHAQ120.6°120.0°
CARCAQHAQ120.7°120.1°
CAQCARNAS117.9°120.0°
CAQCARCAZ120.5°120.0°
NASCARCAZ121.6°120.0°
CARNASCAT119.5°111.1°
CARNASCAY116.4°111.0°
CARCAZCBA120.5°120.0°
CARCAZHAZ119.8°120.0°
CATNASCAY123.9°111.2°
NASCATCAU113.2°109.6°
NASCATHAT108.2°109.5°
NASCATHATA108.3°109.5°
NASCAYCAX112.5°109.5°
NASCAYHAY108.5°109.5°
NASCAYHAYA108.5°109.4°
CAUCATHAT108.3°109.4°
CAUCATHATA108.2°109.5°
CATCAUCAV113.1°109.3°
CATCAUHAU108.3°109.5°
CATCAUHAUA108.3°109.5°
HATCATHATA110.7°109.4°
CAVCAUHAU108.3°109.5°
CAVCAUHAUA108.3°109.5°
CAUCAVOAW111.9°109.5°
CAUCAVCAX109.9°109.2°
CAUCAVHAV107.3°109.6°
HAUCAUHAUA110.7°109.5°
OAWCAVCAX108.9°109.5°
OAWCAVHAV108.4°109.6°
CAVOAWHOAW109.5°114.0°
CAXCAVHAV110.4°109.5°
CAVCAXCAY110.1°109.3°
CAVCAXHAX109.3°109.5°
CAVCAXHAXA109.3°109.5°
CAYCAXHAX109.3°109.5°
CAYCAXHAXA109.2°109.5°
CAXCAYHAY108.5°109.5°
CAXCAYHAYA108.5°109.5°
HAXCAXHAXA109.7°109.5°
HAYCAYHAYA110.5°109.5°
CBACAZHAZ119.8°120.1°
CAZCBAHBA120.4°120.0°
NBGCBHHBH109.5°109.4°
NBGCBHHBHA109.5°109.5°
NBGCBHHBHB109.5°109.4°
HBHCBHHBHA109.5°109.5°
HBHCBHHBHB109.5°109.5°
HBHACBHHBHB109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C2NANN3179.3°180.0°
N1C2N3C41.6°0.0°
C2N1C6C50.5°0.0°
C2N1C6H6179.5°179.9°
N1C2NANCAO158.7°5.5°
N1C2NANHNAN21.3°174.5°
C6N1C2NAN179.9°179.2°
C6N1C2N30.6°0.8°
N1C6C5C40.5°1.4°
N1C6C5H6180.0°180.0°
N1C6C5NBG179.0°176.7°
NANC2N3C4179.1°180.0°
C2NANCAOHNAN180.0°180.0°
C2NANCAOCAP165.6°146.5°
C2NANCAOCBA15.4°33.8°
C2N3C4NAE178.7°176.3°
C2N3C4C51.6°1.5°
N3C2NANCAO22.0°174.5°
N3C2NANHNAN158.0°5.6°
N3C4NAEC5176.8°177.7°
N3C4C5C60.6°2.2°
N3C4C5NBG177.7°175.9°
N3C4NAECAD119.9°117.8°
N3C4NAECAF56.6°62.2°
NAEC4C5C6177.2°175.6°
NAEC4C5NBG1.1°6.4°
C4NAECADCAC50.1°60.8°
C4NAECADCAL125.5°118.0°
C4NAECADCAF176.4°180.0°
C4NAECAFHAF180.0°90.0°
C4NAECAFHAFA60.0°30.0°
C4NAECAFHAFB60.0°150.0°
C4C5C6NBG178.5°178.1°
C4C5C6H6179.5°178.6°
C4C5NBGCAB36.5°40.5°
C5C4NAECAD56.9°60.0°
C5C4NAECAF126.6°120.1°
C4C5NBGCBH145.3°139.5°
C6C5NBGCAB141.9°141.5°
C6C5NBGCBH36.3°38.5°
NBGC5C6H61.0°3.3°
C5NBGCABOAA178.4°179.8°
C5NBGCABCAC4.7°0.2°
C5NBGCABCBH178.2°180.0°
C5NBGCBHHBH180.0°90.0°
C5NBGCBHHBHA60.0°150.1°
C5NBGCBHHBHB60.0°30.0°
OAACABCACNBG173.7°179.9°
OAACABCACCAD141.5°141.2°
OAACABCACCAK35.4°38.4°
OAACABNBGCBH3.4°0.2°
CABCACCADCAK176.7°179.6°
CABCACCADCAL179.2°177.5°
CABCACCADNAE5.4°3.7°
CABCACCAKCAI178.5°178.4°
CABCACCAKHAK1.5°1.6°
CACCABNBGCBH177.1°179.9°
NBGCABCACCAD32.2°38.9°
NBGCABCACCAK150.9°141.5°
CABNBGCBHHBH1.7°90.0°
CABNBGCBHHBHA118.3°30.0°
CABNBGCBHHBHB121.7°150.0°
CACCADCALNAE175.9°178.8°
CACCADNAECAF133.4°119.3°
CACCADCALCAH2.1°1.5°
CADCACCAKCAI1.5°1.3°
CADCACCAKHAK178.5°178.8°
CACCADCALHAL177.9°178.5°
CAKCACCADCAL2.4°2.1°
CAKCACCADNAE177.9°176.7°
CACCAKCAICAH0.2°0.2°
CACCAKCAIHAK180.0°179.9°
CACCAKCAIHAI179.8°179.8°
CALCADNAECAF50.9°62.0°
CADCALCAHHAL180.0°180.0°
CADCALCAHCAI0.9°0.1°
CADCALCAHHAH179.1°180.0°
CADNAECAFHAF3.7°90.0°
CADNAECAFHAFA123.7°150.0°
CADNAECAFHAFB116.3°30.0°
NAECADCALCAH178.0°177.3°
NAECADCALHAL2.0°2.7°
NAECAFHAFHAFA120.0°120.0°
NAECAFHAFHAFB120.0°120.0°
NAECAFHAFAHAFB120.0°120.0°
HAFCAFHAFAHAFB120.0°120.0°
CALCAHCAIHAH180.0°179.9°
CALCAHCAICAK0.1°0.8°
CALCAHCAIHAI179.9°179.2°
CAHCAICAKHAI180.0°179.9°
CAHCAICAKHAK179.8°179.8°
CAICAHCALHAL179.1°179.9°
HAHCAHCAICAK180.0°179.2°
HAHCAHCAIHAI0.1°0.9°
HAHCAHCALHAL0.9°0.0°
HAICAICAKHAK0.2°0.3°
NANCAOCAPCBA179.1°179.7°
NANCAOCAPCAQ179.3°180.0°
NANCAOCAPHAP0.7°0.0°
NANCAOCBACAZ179.3°179.7°
NANCAOCBAHBA0.7°0.3°
HNANNANCAOCAP14.5°33.5°
HNANNANCAOCBA164.6°146.2°
CAOCAPCAQHAP180.0°180.0°
CAOCAPCAQCAR0.4°0.0°
CAOCAPCAQHAQ179.6°180.0°
CAPCAOCBACAZ0.3°0.6°
CAPCAOCBAHBA179.7°180.0°
CBACAOCAPCAQ0.2°0.3°
CBACAOCAPHAP179.8°179.7°
CAOCBACAZCAR0.5°0.5°
CAOCBACAZHBA180.0°179.5°
CAOCBACAZHAZ179.5°179.7°
CAPCAQCARHAQ180.0°180.0°
CAPCAQCARNAS179.2°180.0°
CAPCAQCARCAZ0.6°0.0°
HAPCAPCAQCAR179.6°180.0°
HAPCAPCAQHAQ0.4°0.0°
CAQCARNASCAZ178.6°180.0°
CAQCARNASCAT56.6°55.7°
CAQCARNASCAY119.3°180.0°
CAQCARCAZCBA0.7°0.3°
CAQCARCAZHAZ179.3°180.0°
HAQCAQCARNAS0.8°0.0°
HAQCAQCARCAZ179.3°180.0°
CARNASCATCAY175.6°124.1°
CARNASCATCAU161.4°174.2°
CARNASCATHAT78.6°65.8°
CARNASCATHATA41.5°54.1°
CARNASCAYCAX154.0°174.1°
CARNASCAYHAY34.0°54.1°
CARNASCAYHAYA86.0°65.9°
NASCARCAZCBA179.3°179.8°
NASCARCAZHAZ0.7°0.0°
CAZCARNASCAT124.9°124.2°
CAZCARNASCAY59.2°0.0°
CARCAZCBAHAZ180.0°179.8°
CARCAZCBAHBA179.5°180.0°
NASCATCAUHAT120.0°120.0°
NASCATCAUHATA120.0°120.1°
NASCATHATHATA118.5°120.0°
NASCATCAUCAV35.2°59.1°
NASCATCAUHAU155.2°179.1°
NASCATCAUHAUA84.8°60.8°
CATNASCAYCAX30.3°61.7°
CATNASCAYHAY150.3°178.3°
CATNASCAYHAYA89.7°58.3°
CAYNASCATCAU23.0°61.7°
CAYNASCATHAT97.0°58.3°
CAYNASCATHATA143.0°178.3°
NASCAYCAXCAV49.2°59.1°
NASCAYCAXHAY120.0°120.0°
NASCAYCAXHAYA120.0°120.0°
NASCAYCAXHAX169.2°179.1°
NASCAYCAXHAXA70.8°60.8°
NASCAYHAYHAYA118.8°119.9°
CAUCATHATHATA118.5°120.0°
CATCAUCAVHAU120.0°119.9°
CATCAUCAVHAUA120.0°119.9°
CATCAUHAUHAUA118.5°120.1°
CATCAUCAVOAW178.2°177.5°
CATCAUCAVCAX57.1°57.6°
CATCAUCAVHAV63.0°62.3°
HATCATCAUCAV84.8°60.9°
HATCATCAUHAU35.2°59.1°
HATCATCAUHAUA155.2°179.2°
HATACATCAUCAV155.2°179.2°
HATACATCAUHAU84.8°60.8°
HATACATCAUHAUA35.2°59.3°
CAVCAUHAUHAUA118.5°120.1°
CAUCAVOAWCAX121.7°119.7°
CAUCAVOAWHAV118.2°120.2°
CAUCAVCAXHAV118.3°119.9°
CAUCAVOAWHOAW180.0°179.9°
CAUCAVCAXCAY64.1°57.7°
CAUCAVCAXHAX175.9°177.6°
CAUCAVCAXHAXA55.9°62.3°
HAUCAUCAVOAW61.8°62.5°
HAUCAUCAVCAX177.1°177.6°
HAUCAUCAVHAV57.0°57.7°
HAUACAUCAVOAW58.2°57.6°
HAUACAUCAVCAX62.8°62.3°
HAUACAUCAVHAV177.0°177.8°
OAWCAVCAXHAV118.9°120.1°
OAWCAVCAXCAY173.1°177.6°
OAWCAVCAXHAX53.1°62.5°
OAWCAVCAXHAXA67.0°57.6°
CAXCAVOAWHOAW58.4°60.3°
CAVCAXCAYHAX120.0°119.9°
CAVCAXCAYHAXA120.0°120.0°
CAVCAXHAXHAXA119.8°120.2°
CAVCAXCAYHAY169.2°179.2°
CAVCAXCAYHAYA70.8°60.8°
HAVCAVOAWHOAW61.8°59.8°
HAVCAVCAXCAY54.2°62.3°
HAVCAVCAXHAX65.8°57.6°
HAVCAVCAXHAXA174.1°177.8°
CAYCAXHAXHAXA119.7°120.0°
CAXCAYHAYHAYA118.8°120.0°
HAXCAXCAYHAY70.8°60.9°
HAXCAXCAYHAYA49.2°59.1°
HAXACAXCAYHAY49.2°59.2°
HAXACAXCAYHAYA169.2°179.2°
HAZCAZCBAHBA0.5°0.2°
NBGCBHHBHHBHA120.0°120.0°
NBGCBHHBHHBHB120.0°120.0°
NBGCBHHBHAHBHB120.0°120.0°
HBHCBHHBHAHBHB120.0°120.1°

222624

PDB entries from 2024-07-17

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