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PJM

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NAZCATdoub1.30Å1.33ÅAromatic
NAZCAFsing1.34Å1.33ÅAromatic
FABCBHsing1.35Å1.35Å
CAICBHdoub1.39Å1.39ÅAromatic
CAICAMsing1.38Å1.39ÅAromatic
CATNBWsing1.35Å1.33ÅAromatic
CBHCAHsing1.39Å1.39ÅAromatic
CAMCBMdoub1.39Å1.39ÅAromatic
CAFCARdoub1.35Å1.33ÅAromatic
CAPCAQdoub1.38Å1.39ÅAromatic
CAPCBOsing1.39Å1.39ÅAromatic
CAHCALdoub1.38Å1.39ÅAromatic
CBMCALsing1.39Å1.39ÅAromatic
CBMCBOsing1.48Å1.38Å
NBWCARsing1.37Å1.33ÅAromatic
NBWCAYsing1.46Å1.47Å
CAQCBRsing1.38Å1.39ÅAromatic
CBOCAWdoub1.39Å1.39ÅAromatic
CAYCBVsing1.53Å1.52Å
CBRCBVsing1.51Å1.38Å
CBRCBKdoub1.38Å1.39ÅAromatic
CAWCBKsing1.38Å1.39ÅAromatic
CBVNBEsing1.47Å1.47Å
CBKCLAsing1.74Å1.72Å
NBECBGsing1.35Å1.34Å
CBGCBLsing1.48Å1.39Å
CBGOAAdoub1.22Å1.23Å
CAJCBLdoub1.40Å1.39ÅAromatic
CAJCANsing1.38Å1.39ÅAromatic
CBLCAKsing1.40Å1.39ÅAromatic
CANCBNdoub1.40Å1.39ÅAromatic
CAKCAOdoub1.38Å1.39ÅAromatic
CBNCAOsing1.40Å1.39ÅAromatic
CBNCBSsing1.48Å1.33Å
CBSNBCdoub1.31Å1.33ÅAromatic
CBSOBFsing1.35Å1.30ÅAromatic
NBCNBDsing1.29Å1.17ÅAromatic
OBFCBTsing1.35Å1.29ÅAromatic
NBDCBTdoub1.32Å1.33ÅAromatic
CBTCBPsing1.48Å1.32Å
CBPCAXdoub1.39Å1.39ÅAromatic
CBPCAUsing1.40Å1.39ÅAromatic
CAXCBQsing1.39Å1.39ÅAromatic
CAUCBIdoub1.38Å1.39ÅAromatic
F5C5sing1.35Å1.35Å
CBQC4sing1.48Å1.39Å
CBQCAVdoub1.39Å1.39ÅAromatic
C5C6doub1.39Å1.39ÅAromatic
C5C4sing1.40Å1.39ÅAromatic
CBICAVsing1.38Å1.39ÅAromatic
CBIFACsing1.35Å1.36Å
C6N1sing1.32Å1.40ÅAromatic
C4N3doub1.33Å1.34ÅAromatic
N3C2sing1.32Å1.40ÅAromatic
N1C2doub1.32Å1.40ÅAromatic
C6H1sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
CAXH3sing1.08Å1.08Å
CAVH4sing1.08Å1.08Å
CAUH5sing1.08Å1.08Å
CAOH6sing1.08Å1.08Å
CAKH7sing1.08Å1.08Å
CANH8sing1.08Å1.08Å
CAJH9sing1.08Å1.08Å
NBEH10sing0.97Å1.00Å
CBVH11sing1.09Å1.10Å
CAYH12sing1.09Å1.10Å
CAYH13sing1.09Å1.10Å
CARH14sing1.08Å1.08Å
CAFH15sing1.08Å1.08Å
CATH16sing1.08Å1.08Å
CAWH17sing1.08Å1.08Å
CAQH18sing1.08Å1.08Å
CAPH19sing1.08Å1.08Å
CALH20sing1.08Å1.08Å
CAHH21sing1.08Å1.08Å
CAIH22sing1.08Å1.08Å
CAMH23sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CATNAZCAF107.3°109.3°
NAZCATNBW108.4°108.7°
NAZCATH16125.8°125.7°
NAZCAFCAR108.6°108.0°
NAZCAFH15125.7°126.0°
FABCBHCAI119.4°119.9°
FABCBHCAH120.1°119.9°
CBHCAICAM119.6°120.1°
CAICBHCAH120.6°120.2°
CBHCAIH22120.2°119.9°
CAICAMCBM119.6°119.9°
CAMCAIH22120.2°120.0°
CAICAMH23120.2°120.0°
CATNBWCAR108.2°107.2°
CATNBWCAY119.6°126.4°
NBWCATH16125.8°125.6°
CBHCAHCAL120.0°120.1°
CBHCAHH21120.0°120.0°
CAMCBMCAL121.2°119.8°
CAMCBMCBO118.6°120.1°
CBMCAMH23120.2°120.0°
CAFCARNBW107.5°106.8°
CAFCARH14126.3°126.6°
CARCAFH15125.7°126.0°
CAQCAPCBO119.6°119.9°
CAPCAQCBR119.0°120.1°
CAPCAQH18120.5°119.9°
CAQCAPH19120.2°120.0°
CAPCBOCBM119.0°120.1°
CAPCBOCAW121.6°119.8°
CBOCAPH19120.2°120.1°
CAHCALCBM119.1°119.9°
CAHCALH20120.5°120.0°
CALCAHH21120.0°119.9°
CALCBMCBO120.2°120.1°
CBMCALH20120.5°120.1°
CBMCBOCAW119.3°120.1°
CARNBWCAY132.1°126.4°
NBWCARH14126.3°126.5°
NBWCAYCBV111.9°109.5°
NBWCAYH12108.9°109.5°
NBWCAYH13108.8°109.5°
CAQCBRCBV120.5°119.9°
CAQCBRCBK121.0°120.2°
CBRCAQH18120.5°119.9°
CBOCAWCBK118.6°119.8°
CBOCAWH17120.7°120.1°
CAYCBVCBR109.0°109.5°
CAYCBVNBE106.7°109.4°
CAYCBVH11108.7°109.4°
CBVCAYH12108.8°109.4°
CBVCAYH13108.9°109.5°
CBVCBRCBK118.5°119.9°
CBRCBVNBE112.3°109.5°
CBRCBVH11110.7°109.5°
CBRCBKCAW120.2°120.1°
CBRCBKCLA120.3°119.9°
CAWCBKCLA119.5°120.0°
CBKCAWH17120.7°120.0°
CBVNBECBG117.4°120.0°
CBVNBEH10121.3°120.0°
NBECBVH11109.4°109.5°
NBECBGCBL118.5°120.0°
NBECBGOAA122.3°120.0°
CBGNBEH10121.3°120.0°
CBLCBGOAA119.2°120.1°
CBGCBLCAJ124.4°120.0°
CBGCBLCAK116.0°120.0°
CBLCAJCAN119.6°120.0°
CAJCBLCAK119.6°120.0°
CBLCAJH9120.2°120.0°
CAJCANCBN120.4°120.0°
CAJCANH8119.8°120.0°
CANCAJH9120.2°120.0°
CBLCAKCAO120.9°120.0°
CBLCAKH7119.5°120.0°
CANCBNCAO119.9°120.0°
CANCBNCBS122.7°120.0°
CBNCANH8119.8°120.0°
CAKCAOCBN119.6°120.0°
CAKCAOH6120.2°119.9°
CAOCAKH7119.5°120.0°
CAOCBNCBS117.4°120.0°
CBNCAOH6120.2°120.0°
CBNCBSNBC127.1°126.3°
CBNCBSOBF122.1°126.3°
NBCCBSOBF110.7°107.4°
CBSNBCNBD108.2°109.4°
CBSOBFCBT101.5°106.4°
NBCNBDCBT108.7°109.4°
OBFCBTNBD110.8°107.4°
OBFCBTCBP123.0°126.3°
NBDCBTCBP125.7°126.3°
CBTCBPCAX119.7°120.1°
CBTCBPCAU119.6°120.0°
CAXCBPCAU120.6°119.8°
CBPCAXCBQ119.9°119.8°
CBPCAXH3120.1°120.1°
CBPCAUCBI119.6°120.1°
CBPCAUH5120.2°120.0°
CAXCBQC4118.1°120.1°
CAXCBQCAV119.7°119.9°
CBQCAXH3120.1°120.1°
CAUCBICAV120.1°120.2°
CAUCBIFAC120.2°119.9°
CBICAUH5120.2°119.9°
F5C5C6119.2°120.9°
F5C5C4120.4°120.9°
C4CBQCAV122.2°120.0°
CBQC4C5121.9°120.6°
CBQC4N3117.9°120.6°
CBQCAVCBI120.2°120.1°
CBQCAVH4119.9°120.0°
C6C5C4120.4°118.3°
C5C6N1119.8°119.1°
C5C6H1120.1°120.5°
C5C4N3120.1°118.8°
CAVCBIFAC119.7°119.9°
CBICAVH4119.9°119.9°
C6N1C2118.7°121.1°
N1C6H1120.1°120.4°
C4N3C2121.0°120.8°
N3C2N1120.0°121.9°
N3C2H2120.0°119.1°
N1C2H2120.0°119.0°
H12CAYH13109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NAZCATNBWH16180.0°179.5°
CATNAZCAFCAR0.4°0.3°
NAZCATNBWCAR1.1°0.5°
NAZCATNBWCAY178.9°179.8°
CATNAZCAFH15179.5°179.7°
CAFNAZCATNBW1.0°0.5°
NAZCAFCARH15180.0°180.0°
NAZCAFCARNBW0.2°0.0°
NAZCAFCARH14179.8°179.9°
CAFNAZCATH16179.0°180.0°
FABCBHCAICAH179.9°180.0°
FABCBHCAICAM179.9°179.7°
FABCBHCAHCAL179.9°180.0°
FABCBHCAHH210.1°0.0°
FABCBHCAIH220.1°0.0°
CBHCAICAMH22180.0°179.8°
CBHCAICAMCBM0.7°0.6°
CAICBHCAHCAL0.0°0.0°
CAICBHCAHH21180.0°180.0°
CBHCAICAMH23179.3°180.0°
CAMCAICBHCAH0.2°0.3°
CAICAMCBMH23180.0°179.5°
CAICAMCBMCAL1.1°0.6°
CAICAMCBMCBO179.7°179.7°
CATNBWCARCAF0.8°0.3°
CATNBWCARCAY177.4°179.7°
CATNBWCAYCBV125.2°90.4°
CATNBWCAYH124.9°149.7°
CATNBWCAYH13114.4°29.7°
CATNBWCARH14179.2°179.8°
CBHCAHCALH21180.0°180.0°
CBHCAHCALCBM0.4°0.0°
CBHCAHCALH20179.6°180.0°
CAHCBHCAIH22179.8°179.9°
CAMCBMCBOCAP10.4°0.3°
CAMCBMCALCAH0.9°0.3°
CAMCBMCALCBO178.6°179.7°
CAMCBMCBOCAW171.1°179.5°
CAMCBMCALH20179.0°179.7°
CBMCAMCAIH22179.2°179.6°
CAFCARNBWH14180.0°179.9°
CAFCARNBWCAY178.2°180.0°
CAQCAPCBOH19180.0°179.9°
CAQCAPCBOCBM179.5°180.0°
CAPCAQCBRH18180.0°180.0°
CAQCAPCBOCAW1.0°0.2°
CAPCAQCBRCBV179.3°180.0°
CAPCAQCBRCBK2.1°0.3°
CAPCBOCBMCAL168.2°180.0°
CAPCBOCBMCAW178.5°179.8°
CBOCAPCAQCBR0.7°0.1°
CAPCBOCAWCBK1.2°0.2°
CAPCBOCAWH17178.8°179.8°
CBOCAPCAQH18179.3°179.9°
CAHCALCBMH20180.0°180.0°
CAHCALCBMCBO179.5°180.0°
CALCBMCBOCAW10.3°0.2°
CBMCALCAHH21179.6°180.0°
CALCBMCAMH23178.9°180.0°
CBMCBOCAWCBK179.7°180.0°
CBMCBOCAWH170.3°0.1°
CBMCBOCAPH190.6°0.1°
CBOCBMCALH200.5°0.1°
CBOCBMCAMH230.3°0.3°
CARNBWCAYCBV57.7°90.0°
CARNBWCAYH12178.0°29.9°
CARNBWCAYH1362.7°150.0°
NBWCARCAFH15179.8°180.0°
CARNBWCATH16178.9°180.0°
NBWCAYCBVH12120.4°120.0°
NBWCAYCBVH13120.4°120.1°
NBWCAYCBVCBR53.5°175.0°
NBWCAYCBVNBE175.0°65.0°
NBWCAYCBVH1167.1°55.0°
NBWCAYH12H13118.9°120.1°
CAYNBWCARH141.8°0.1°
CAYNBWCATH161.1°0.3°
CAQCBRCBVCAY58.4°94.9°
CAQCBRCBVCBK177.3°179.7°
CAQCBRCBKCAW1.8°0.2°
CAQCBRCBVNBE59.6°25.0°
CAQCBRCBKCLA179.1°179.7°
CAQCBRCBVH11177.9°145.1°
CBRCAQCAPH19179.3°179.9°
CBOCAWCBKCBR0.2°0.0°
CBOCAWCBKH17180.0°180.0°
CBOCAWCBKCLA179.3°180.0°
CAWCBOCAPH19179.0°179.7°
CAYCBVCBRNBE118.0°120.0°
CAYCBVCBRH11119.5°120.0°
CAYCBVCBRCBK118.9°84.8°
CAYCBVNBEH11117.4°120.0°
CAYCBVNBECBG80.8°153.5°
CAYCBVNBEH1099.1°26.4°
CBVCAYH12H13118.9°120.0°
CBVCBRCBKCAW179.2°180.0°
CBRCBVNBEH11123.2°120.1°
CBVCBRCBKCLA1.8°0.0°
CBRCBVNBECBG159.8°86.5°
CBRCBVNBEH1020.2°93.5°
CBRCBVCAYH1266.9°65.0°
CBRCBVCAYH13173.9°55.0°
CBVCBRCAQH180.7°0.0°
CBRCBKCAWCLA179.1°180.0°
CBKCBRCBVNBE123.1°155.2°
CBKCBRCBVH110.6°35.2°
CBRCBKCAWH17179.8°180.0°
CBKCBRCAQH18177.9°179.7°
CBVNBECBGH10180.0°179.9°
CBVNBECBGCBL176.0°180.0°
CBVNBECBGOAA5.4°0.0°
NBECBVCAYH1254.6°55.0°
NBECBVCAYH1364.7°174.9°
CLACBKCAWH170.7°0.0°
NBECBGCBLOAA178.6°180.0°
NBECBGCBLCAJ10.9°180.0°
NBECBGCBLCAK169.3°0.8°
CBGNBECBVH1136.6°33.6°
CBGCBLCAJCAK179.7°179.1°
CBGCBLCAJCAN179.7°180.0°
CBGCBLCAKCAO179.9°179.8°
CBGCBLCAKH70.1°0.3°
CBGCBLCAJH90.3°0.8°
CBLCBGNBEH103.9°0.1°
OAACBGCBLCAJ167.6°0.0°
OAACBGCBLCAK12.1°179.1°
OAACBGNBEH10174.6°180.0°
CBLCAJCANH9180.0°179.1°
CBLCAJCANCBN0.3°0.6°
CAJCBLCAKCAO0.3°0.6°
CAJCBLCAKH7179.7°179.5°
CBLCAJCANH8179.7°179.5°
CANCAJCBLCAK0.0°0.9°
CAJCANCBNH8180.0°179.9°
CAJCANCBNCAO0.2°0.0°
CAJCANCBNCBS179.3°179.7°
CBLCAKCAOH7180.0°179.9°
CBLCAKCAOCBN0.4°0.0°
CBLCAKCAOH6179.6°180.0°
CAKCBLCAJH9180.0°180.0°
CANCBNCAOCAK0.2°0.3°
CANCBNCAOCBS179.5°179.7°
CANCBNCBSNBC22.9°179.7°
CANCBNCBSOBF160.4°0.3°
CANCBNCAOH6179.9°179.7°
CBNCANCAJH9179.7°179.7°
CAKCAOCBNH6180.0°180.0°
CAKCAOCBNCBS179.6°180.0°
CAOCBNCBSNBC157.7°0.0°
CAOCBNCBSOBF19.1°180.0°
CBNCAOCAKH7179.6°179.9°
CAOCBNCANH8179.8°179.9°
CBNCBSNBCOBF177.0°180.0°
CBNCBSNBCNBD178.8°180.0°
CBNCBSOBFCBT176.8°179.8°
CBSCBNCAOH60.4°0.0°
CBSCBNCANH80.8°0.2°
NBCCBSOBFCBT0.5°0.1°
CBSNBCNBDCBT3.1°0.2°
OBFCBSNBCNBD1.8°0.0°
CBSOBFCBTNBD2.3°0.2°
CBSOBFCBTCBP174.8°180.0°
NBCNBDCBTOBF3.6°0.2°
NBCNBDCBTCBP175.9°180.0°
OBFCBTNBDCBP172.3°179.7°
OBFCBTCBPCAX9.1°180.0°
OBFCBTCBPCAU165.6°0.1°
NBDCBTCBPCAX179.5°0.3°
NBDCBTCBPCAU5.8°179.6°
CBTCBPCAXCAU174.6°180.0°
CBTCBPCAXCBQ177.4°179.9°
CBTCBPCAUCBI177.2°179.7°
CBTCBPCAXH32.5°0.0°
CBTCBPCAUH52.7°0.1°
CBPCAXCBQH3180.0°180.0°
CAXCBPCAUCBI2.6°0.3°
CBPCAXCBQC4179.5°180.0°
CBPCAXCBQCAV1.7°0.3°
CAXCBPCAUH5177.4°179.9°
CAUCBPCAXCBQ2.8°0.0°
CBPCAUCBIH5180.0°179.6°
CBPCAUCBICAV1.3°0.3°
CBPCAUCBIFAC179.0°179.8°
CAUCBPCAXH3177.2°180.0°
CAXCBQC4CAV178.8°179.6°
CAXCBQC4C5165.1°145.5°
CAXCBQCAVCBI0.4°0.3°
CAXCBQC4N312.0°34.7°
CAXCBQCAVH4179.6°179.7°
CAUCBICAVCBQ0.2°0.0°
CAUCBICAVFAC179.7°179.9°
CAUCBICAVH4179.8°180.0°
F5C5C4CBQ2.2°0.2°
F5C5C6C4179.2°179.9°
F5C5C6N1179.9°180.0°
F5C5C4N3179.2°180.0°
F5C5C6H10.2°0.1°
CBQC4C5C6178.7°179.7°
CBQC4C5N3177.0°179.8°
C4CBQCAVCBI179.1°180.0°
CBQC4N3C2178.7°179.7°
C4CBQCAXH30.5°0.1°
C4CBQCAVH40.9°0.1°
CAVCBQC4C513.7°34.8°
CBQCAVCBIH4180.0°180.0°
CBQCAVCBIFAC179.9°179.9°
CAVCBQC4N3169.3°145.0°
CAVCBQCAXH3178.3°179.7°
C5C6N1H1180.0°179.9°
C6C5C4N31.7°0.1°
C5C6N1C20.2°0.1°
C4C5C6N11.0°0.1°
C5C4N3C21.6°0.1°
C4C5C6H1179.0°180.0°
CAVCBICAUH5178.7°180.0°
FACCBICAVH40.1°0.0°
FACCBICAUH51.0°0.1°
C6N1C2N30.1°0.0°
C6N1C2H2179.9°180.0°
C4N3C2N10.9°0.0°
C4N3C2H2179.2°180.0°
N3C2N1H2180.0°179.9°
C2N1C6H1179.8°180.0°
H6CAOCAKH70.4°0.1°
H8CANCAJH90.3°0.3°
H10NBECBVH11143.5°146.4°
H11CBVCAYH12172.5°175.0°
H11CBVCAYH1353.2°65.0°
H14CARCAFH150.2°0.1°
H18CAQCAPH190.7°0.0°
H20CALCAHH210.4°0.0°
H22CAICAMH230.8°0.2°

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PDB entries from 2024-07-17

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