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C3K

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAICAJdoub1.38Å1.38ÅAromatic
CAICAKsing1.38Å1.40ÅAromatic
CAJCALsing1.38Å1.40ÅAromatic
CAKCAMdoub1.38Å1.39ÅAromatic
CALCBBdoub1.38Å1.38ÅAromatic
CAMCBBsing1.38Å1.38ÅAromatic
CBBCARsing1.51Å1.51Å
CARNAUsing1.46Å1.44Å
NAUCAZsing1.35Å1.34Å
CBCAsing1.53Å1.52Å
OAGCBAdoub1.21Å1.23Å
CAZOAFdoub1.21Å1.22Å
CAZCBFsing1.51Å1.53Å
CANsing1.47Å1.48Å
CACsing1.51Å1.48Å
CBFNBHsing1.47Å1.45Å
CBFCAQsing1.51Å1.51Å
CBANBHsing1.33Å1.33Å
CBACBGsing1.51Å1.47Å
NAWCsing1.35Å1.33Å
NAWCBGsing1.46Å1.44Å
NCABsing1.47Å1.49Å
COdoub1.21Å1.22Å
NBHCBEsing1.47Å1.46Å
CAQCAPdoub1.31Å1.52Å
CBGCBDsing1.53Å1.55Å
CBECAPsing1.51Å1.53Å
CBECAOsing1.53Å1.53Å
CBDCANsing1.53Å1.52Å
CBDCASsing1.53Å1.52Å
CANCAOsing1.53Å1.52Å
CASNAVsing1.47Å1.44Å
OADCAXdoub1.21Å1.20Å
NAVCAXsing1.35Å1.32Å
CAXCAHsing1.51Å1.52Å
CAACAHsing1.53Å1.53Å
CABH1sing1.09Å1.10Å
CABH2sing1.09Å1.10Å
CABH3sing1.09Å1.10Å
NH4sing1.01Å1.00Å
CAH6sing1.09Å1.10Å
CBH7sing1.09Å1.10Å
CBH8sing1.09Å1.10Å
CBH9sing1.09Å1.10Å
NAWH10sing0.97Å1.00Å
CBGH11sing1.09Å1.10Å
CBDH12sing1.09Å1.10Å
CASH13sing1.09Å1.10Å
CASH14sing1.09Å1.10Å
NAVH15sing0.97Å1.00Å
CAHH16sing1.09Å1.10Å
CAHH17sing1.09Å1.10Å
CAAH18sing1.09Å1.10Å
CAAH19sing1.09Å1.10Å
CAAH20sing1.09Å1.10Å
CANH21sing1.09Å1.10Å
CANH22sing1.09Å1.10Å
CAOH23sing1.09Å1.10Å
CAOH24sing1.09Å1.10Å
CBEH25sing1.09Å1.10Å
CAPH26sing1.08Å1.08Å
CAQH27sing1.08Å1.08Å
CBFH28sing1.09Å1.10Å
NAUH29sing0.97Å1.00Å
CARH30sing1.09Å1.10Å
CARH31sing1.09Å1.10Å
CALH32sing1.08Å1.08Å
CAJH33sing1.08Å1.08Å
CAIH34sing1.08Å1.08Å
CAKH35sing1.08Å1.08Å
CAMH36sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAJCAICAK119.3°120.0°
CAICAJCAL119.3°120.0°
CAICAJH33120.4°120.0°
CAJCAIH34120.3°120.0°
CAICAKCAM120.6°120.0°
CAKCAIH34120.3°120.0°
CAICAKH35119.7°120.0°
CAJCALCBB121.1°120.0°
CAJCALH32119.5°120.0°
CALCAJH33120.3°120.0°
CAKCAMCBB120.2°120.0°
CAMCAKH35119.7°120.0°
CAKCAMH36119.9°120.0°
CALCBBCAM119.4°120.0°
CALCBBCAR120.4°120.0°
CBBCALH32119.5°120.0°
CAMCBBCAR120.1°120.0°
CBBCAMH36119.9°120.0°
CBBCARNAU112.4°109.5°
CBBCARH30108.8°109.5°
CBBCARH31108.7°109.5°
CARNAUCAZ124.8°120.0°
CARNAUH29117.6°120.0°
NAUCARH30108.7°109.5°
NAUCARH31108.8°109.5°
NAUCAZOAF122.9°120.0°
NAUCAZCBF114.9°120.0°
CAZNAUH29117.6°120.0°
CBCAN112.5°109.5°
CBCAC106.7°109.5°
CBCAH6109.8°109.4°
CACBH7109.5°109.5°
CACBH8109.4°109.5°
CACBH9109.5°109.5°
OAGCBANBH125.2°118.9°
OAGCBACBG118.3°119.0°
OAFCAZCBF122.1°120.0°
CAZCBFNBH115.1°110.3°
CAZCBFCAQ112.6°110.3°
CAZCBFH28108.3°110.3°
NCAC107.1°109.5°
CANCAB110.5°111.0°
CANH4109.2°111.0°
NCAH6110.3°109.5°
CACNAW120.3°120.0°
CACO115.9°120.0°
CCAH6110.3°109.5°
NBHCBFCAQ102.7°105.3°
CBFNBHCBA119.5°128.5°
CBFNBHCBE117.2°103.8°
NBHCBFH28109.4°110.3°
CBFCAQCAP108.9°109.4°
CBFCAQH27125.6°125.3°
CAQCBFH28108.6°110.3°
NBHCBACBG116.1°122.2°
CBANBHCBE123.2°127.7°
CBACBGNAW107.6°109.4°
CBACBGCBD117.1°110.3°
CBACBGH11105.7°109.2°
CNAWCBG115.4°120.0°
NAWCO123.7°120.0°
CNAWH10122.3°120.0°
NAWCBGCBD114.6°109.3°
CBGNAWH10122.3°120.0°
NAWCBGH11106.0°109.3°
NCABH1109.5°109.4°
NCABH2109.5°109.5°
NCABH3109.4°109.5°
CABNH4109.2°111.0°
NBHCBECAP102.3°105.9°
NBHCBECAO110.5°109.7°
NBHCBEH25111.3°109.9°
CAQCAPCBE108.2°109.5°
CAQCAPH26125.9°125.3°
CAPCAQH27125.5°125.3°
CBGCBDCAN113.4°109.8°
CBGCBDCAS114.5°109.4°
CBDCBGH11104.9°109.3°
CBGCBDH12106.1°109.4°
CAPCBECAO112.0°111.2°
CAPCBEH25110.3°109.9°
CBECAPH26125.9°125.2°
CBECAOCAN114.4°108.8°
CBECAOH23108.3°109.6°
CBECAOH24108.2°109.7°
CAOCBEH25110.3°110.3°
CANCBDCAS109.5°109.5°
CBDCANCAO108.2°109.8°
CANCBDH12106.4°109.4°
CBDCANH21109.8°109.5°
CBDCANH22109.8°109.4°
CBDCASNAV107.7°109.5°
CASCBDH12106.4°109.3°
CBDCASH13109.9°109.5°
CBDCASH14109.9°109.4°
CAOCANH21109.8°109.4°
CAOCANH22109.8°109.4°
CANCAOH23108.2°109.6°
CANCAOH24108.2°109.6°
CASNAVCAX119.7°120.0°
NAVCASH13109.9°109.5°
NAVCASH14109.9°109.5°
CASNAVH15120.2°120.0°
OADCAXNAV121.0°120.1°
OADCAXCAH122.2°120.0°
NAVCAXCAH116.6°120.0°
CAXNAVH15120.2°120.0°
CAXCAHCAA110.2°109.5°
CAXCAHH16109.3°109.4°
CAXCAHH17109.3°109.5°
CAACAHH16109.3°109.5°
CAACAHH17109.3°109.5°
CAHCAAH18109.5°109.4°
CAHCAAH19109.5°109.5°
CAHCAAH20109.5°109.4°
H1CABH2109.5°109.5°
H1CABH3109.5°109.5°
H2CABH3109.5°109.5°
H7CBH8109.5°109.4°
H7CBH9109.4°109.5°
H8CBH9109.5°109.5°
H13CASH14109.5°109.5°
H16CAHH17109.5°109.5°
H18CAAH19109.5°109.5°
H18CAAH20109.5°109.5°
H19CAAH20109.5°109.5°
H21CANH22109.4°109.4°
H23CAOH24109.5°109.6°
H30CARH31109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAJCAICAKH34180.0°179.9°
CAICAJCALH33180.0°179.9°
CAJCAICAKCAM0.4°0.2°
CAICAJCALCBB0.1°0.0°
CAICAJCALH32179.9°180.0°
CAJCAICAKH35179.6°180.0°
CAKCAICAJCAL0.2°0.1°
CAICAKCAMH35180.0°179.9°
CAICAKCAMCBB0.3°0.5°
CAKCAICAJH33179.8°180.0°
CAICAKCAMH36179.7°180.0°
CAJCALCBBH32180.0°180.0°
CAJCALCBBCAM0.2°0.3°
CAJCALCBBCAR178.6°180.0°
CALCAJCAIH34179.8°180.0°
CAKCAMCBBCAL0.0°0.5°
CAKCAMCBBH36180.0°179.5°
CAKCAMCBBCAR178.4°179.7°
CAMCAKCAIH34179.6°179.7°
CALCBBCAMCAR178.4°179.7°
CALCBBCARNAU130.4°90.0°
CALCBBCARH30109.1°30.0°
CALCBBCARH3110.0°150.0°
CBBCALCAJH33179.9°180.0°
CALCBBCAMH36180.0°180.0°
CAMCBBCARNAU51.2°90.2°
CAMCBBCARH3069.2°149.7°
CAMCBBCARH31171.7°29.7°
CAMCBBCALH32179.8°179.7°
CBBCAMCAKH35179.7°179.7°
CBBCARNAUH30120.5°120.0°
CBBCARNAUH31120.4°120.0°
CBBCARNAUCAZ140.6°180.0°
CBBCARNAUH2939.4°0.0°
CBBCARH30H31118.6°120.0°
CARCBBCALH321.4°0.0°
CARCBBCAMH361.6°0.2°
CARNAUCAZH29180.0°179.9°
CARNAUCAZOAF2.6°0.1°
CARNAUCAZCBF179.9°180.0°
NAUCARH30H31118.7°120.0°
NAUCAZOAFCBF177.4°179.9°
NAUCAZCBFNBH158.3°179.9°
NAUCAZCBFCAQ84.5°64.2°
NAUCAZCBFH2835.6°57.9°
CAZNAUCARH3020.2°59.9°
CAZNAUCARH3199.0°60.1°
CBCANC117.0°120.0°
CBCANH6122.9°119.9°
CBCACH6119.2°120.0°
CBCACNAW80.7°60.0°
CBCANCAB162.3°85.0°
CBCACO96.6°120.0°
CBCANH477.6°151.1°
CACBH7H8120.0°120.0°
CACBH7H9120.0°120.0°
CACBH8H9120.0°120.0°
OAGCBANBHCBF4.2°11.0°
OAGCBANBHCBG172.9°179.9°
OAGCBACBGNAW5.0°110.8°
OAGCBANBHCBE178.9°171.6°
OAGCBACBGCBD125.8°128.9°
OAGCBACBGH11117.9°8.8°
OAFCAZCBFNBH19.3°0.0°
OAFCAZCBFCAQ97.9°115.9°
OAFCAZCBFH28142.0°122.1°
OAFCAZNAUH29177.4°180.0°
CAZCBFNBHCAQ122.7°118.9°
CAZCBFNBHH28122.1°122.1°
CAZCBFCAQH28119.9°122.0°
CAZCBFNBHCBA69.5°34.8°
CAZCBFNBHCBE113.5°143.0°
CAZCBFCAQCAP116.6°135.4°
CAZCBFCAQH2763.4°44.6°
CBFCAZNAUH290.2°0.1°
NCACH6120.1°120.0°
NCACNAW158.7°180.0°
CANCABH4120.1°123.9°
NCACO24.1°0.0°
CANCABH1180.0°60.0°
CANCABH260.0°60.0°
CANCABH360.0°180.0°
NCACBH7180.0°60.0°
NCACBH860.0°60.0°
NCACBH960.0°180.0°
CACNAWO177.0°180.0°
CACNAWCBG166.3°180.0°
CCANCAB80.8°155.0°
CCANH439.4°31.0°
CCACBH762.8°180.0°
CCACBH8177.2°60.0°
CCACBH957.2°60.0°
CACNAWH1013.7°0.0°
NBHCBFCAQH28115.8°119.0°
CBFNBHCBACBE176.8°177.4°
CBFNBHCBACBG168.7°169.0°
NBHCBFCAQCAP7.8°16.5°
CBFNBHCBECAP6.6°23.4°
CBFNBHCBECAO112.8°143.4°
CBFNBHCBEH25124.4°95.3°
NBHCBFCAQH27172.3°163.6°
CAQCBFNBHCBA167.8°153.8°
CAQCBFNBHCBE9.2°24.1°
CBFCAQCAPH27180.0°179.9°
CBFCAQCAPCBE4.4°1.5°
CBFCAQCAPH26175.6°178.4°
NBHCBACBGNAW168.4°69.3°
NBHCBACBGCBD60.8°51.0°
CBANBHCBECAP170.3°154.5°
CBANBHCBECAO70.3°34.5°
NBHCBACBGH1155.5°171.2°
CBANBHCBEH2552.5°86.9°
CBANBHCBFH2852.6°87.3°
CBACBGNAWC139.6°56.8°
CBACBGNAWCBD132.1°120.9°
CBACBGNAWH11112.7°119.5°
CBGCBANBHCBE8.2°8.3°
CBACBGCBDH11116.7°120.1°
CBACBGCBDCAN1.8°90.5°
CBACBGCBDCAS124.9°149.4°
CBACBGNAWH1040.4°123.1°
CBACBGCBDH12118.2°29.6°
CNAWCBGH10180.0°180.0°
CNAWCBGCBD88.3°177.7°
NAWCCAH638.5°60.0°
CNAWCBGH1126.9°62.6°
CBGNAWCO10.7°0.1°
NAWCBGCBDH11115.9°119.6°
NAWCBGCBDCAN129.1°29.8°
NAWCBGCBDCAS2.5°90.3°
NAWCBGCBDH12114.4°149.9°
NCABH1H2120.0°120.0°
NCABH1H3120.0°120.0°
NCABH2H3120.0°120.0°
CABNCAH639.3°34.9°
OCCAH6144.2°120.0°
OCNAWH10169.3°180.0°
NBHCBECAPCAQ1.0°14.1°
NBHCBECAPCAO118.3°119.0°
NBHCBECAPH25118.5°118.6°
NBHCBECAOH25123.4°121.1°
NBHCBECAOCAN40.8°91.2°
NBHCBECAOH2379.9°149.0°
NBHCBECAOH24161.6°28.6°
NBHCBECAPH26179.0°166.0°
CBENBHCBFH28124.4°94.9°
CAQCAPCBEH26180.0°179.9°
CAQCAPCBECAO117.4°133.1°
CAQCAPCBEH25119.4°104.5°
CAPCAQCBFH28123.5°102.5°
CBGCBDCANCAS129.2°120.1°
CBGCBDCANH12116.2°120.1°
CBGCBDCASH12116.8°119.8°
CBGCBDCANCAO75.4°33.2°
CBGCBDCASNAV161.4°175.0°
CBDCBGNAWH1091.7°2.2°
CBGCBDCASH1341.7°54.9°
CBGCBDCASH1478.8°65.1°
CBGCBDCANH21164.8°153.3°
CBGCBDCANH2244.4°86.9°
CAPCBECAOH25123.3°122.1°
CAPCBECAOCAN154.2°152.0°
CAPCBECAOH2333.4°32.2°
CAPCBECAOH2485.1°88.1°
CBECAPCAQH27175.6°178.6°
CBECAOCANCBD48.8°59.8°
CBECAOCANH23120.7°119.8°
CBECAOCANH24120.7°119.9°
CBECAOCANH21168.6°60.3°
CBECAOCANH2271.0°179.9°
CBECAOH23H24117.8°120.4°
CAOCBECAPH2662.6°47.0°
CANCBDCASH12114.6°119.9°
CBDCANCAOH21119.8°120.1°
CBDCANCAOH22119.8°120.1°
CANCBDCASNAV70.0°64.7°
CANCBDCBGH11115.0°149.4°
CANCBDCASH13170.3°175.3°
CANCBDCASH1449.8°55.3°
CBDCANH21H22120.6°119.9°
CBDCANCAOH23169.5°179.6°
CBDCANCAOH2471.9°60.1°
CASCBDCANCAO155.4°153.3°
CBDCASNAVH13119.7°120.0°
CBDCASNAVH14119.7°119.9°
CBDCASNAVCAX173.4°180.0°
CASCBDCBGH11118.4°29.3°
CBDCASH13H14120.8°119.9°
CBDCASNAVH156.6°0.1°
CASCBDCANH2135.6°86.6°
CASCBDCANH2284.8°33.3°
CAOCANCBDH1240.8°86.9°
CAOCANH21H22120.5°119.8°
CANCAOH23H24117.8°120.3°
CANCAOCBEH2582.6°29.9°
CASNAVCAXOAD8.8°0.0°
CASNAVCAXH15180.0°180.0°
CASNAVCAXCAH165.8°180.0°
NAVCASCBDH1244.6°55.2°
NAVCASH13H14120.8°120.1°
OADCAXNAVCAH174.6°180.0°
OADCAXCAHCAA107.0°0.0°
OADCAXNAVH15171.2°180.0°
OADCAXCAHH16132.9°120.0°
OADCAXCAHH1713.1°120.0°
NAVCAXCAHCAA67.5°180.0°
CAXNAVCASH1353.7°60.0°
CAXNAVCASH1466.8°60.1°
NAVCAXCAHH1652.6°60.0°
NAVCAXCAHH17172.4°59.9°
CAXCAHCAAH16120.1°119.9°
CAXCAHCAAH17120.1°120.0°
CAHCAXNAVH1514.2°0.0°
CAXCAHH16H17119.6°120.0°
CAXCAHCAAH18180.0°60.0°
CAXCAHCAAH1960.0°59.9°
CAXCAHCAAH2060.0°180.0°
CAACAHH16H17119.7°120.1°
CAHCAAH18H19120.0°120.0°
CAHCAAH18H20120.0°119.9°
CAHCAAH19H20120.0°120.0°
H1CABH2H3120.0°120.0°
H1CABNH459.9°176.0°
H2CABNH4179.9°64.0°
H3CABNH460.1°56.1°
H4NCAH6159.5°89.0°
H6CACBH756.8°60.0°
H6CACBH863.2°179.9°
H6CACBH9176.8°60.0°
H7CBH8H9120.0°120.0°
H10NAWCBGH11153.1°117.4°
H11CBGCBDH121.4°90.5°
H12CBDCASH1375.1°64.8°
H12CBDCASH14164.4°175.2°
H12CBDCANH2179.0°33.2°
H12CBDCANH22160.6°153.1°
H13CASNAVH15126.3°120.0°
H14CASNAVH15113.2°120.0°
H16CAHCAAH1859.9°179.9°
H16CAHCAAH19179.9°60.0°
H16CAHCAAH2060.1°60.1°
H17CAHCAAH1859.9°60.0°
H17CAHCAAH1960.1°180.0°
H17CAHCAAH20179.9°60.0°
H18CAAH19H20120.0°120.1°
H21CANCAOH2370.6°59.5°
H21CANCAOH2447.9°179.8°
H22CANCAOH2349.7°60.3°
H22CANCAOH24168.3°60.0°
H23CAOCBEH25156.7°89.9°
H24CAOCBEH2538.1°149.7°
H25CBECAPH2660.6°75.4°
H26CAPCAQH274.3°1.5°
H27CAQCBFH2856.5°77.4°
H29NAUCARH30159.8°120.0°
H29NAUCARH3181.1°120.0°
H32CALCAJH330.1°0.0°
H33CAJCAIH340.2°0.1°
H34CAICAKH350.4°0.1°
H35CAKCAMH360.3°0.2°

222415

PDB entries from 2024-07-10

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