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B50

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAANBIsing1.47Å1.47Å
OABCBAdoub1.22Å1.23Å
OACCAPsing1.43Å1.43Å
OADCBHsing1.43Å1.43Å
CLAECBBsing1.74Å1.70Å
CAFCAGdoub1.38Å1.40ÅAromatic
CAFCAHsing1.38Å1.40ÅAromatic
CAGCAIsing1.38Å1.39ÅAromatic
CAHCAJdoub1.38Å1.40ÅAromatic
CAICBDdoub1.39Å1.40ÅAromatic
CAJCBDsing1.40Å1.40ÅAromatic
CAKCAMdoub1.38Å1.40ÅAromatic
CAKCBBsing1.39Å1.40ÅAromatic
CALCANsing1.38Å1.39ÅAromatic
CALCBBdoub1.38Å1.39ÅAromatic
CAMCBCsing1.39Å1.40ÅAromatic
CANCBCdoub1.39Å1.40ÅAromatic
CAOCBEdoub1.36Å1.34ÅAromatic
CAONBKsing1.35Å1.33ÅAromatic
CAPCBHsing1.53Å1.53Å
CAQCARsing1.53Å1.53Å
CAQCATsing1.53Å1.53Å
CARNAZsing1.47Å1.47Å
CASCAYsing1.53Å1.54Å
CASCBHsing1.53Å1.54Å
CATNBJsing1.47Å1.47Å
CAUCAWsing1.53Å1.53Å
CAUNBIsing1.47Å1.47Å
CAVCAXsing1.53Å1.54Å
CAVNBIsing1.47Å1.48Å
CAWNBJsing1.47Å1.48Å
CAXNBJsing1.47Å1.48Å
CAYNBKsing1.47Å1.49Å
NAZCBAsing1.35Å1.34Å
CBACBGsing1.46Å1.34Å
CBCCBEsing1.48Å1.34Å
CBDCBFsing1.48Å1.34Å
CBECBFsing1.42Å1.34ÅAromatic
CBFCBGdoub1.39Å1.33ÅAromatic
CBGNBKsing1.38Å1.33ÅAromatic
CAAHAAsing1.09Å1.10Å
CAAHAAAsing1.09Å1.10Å
CAAHAABsing1.09Å1.10Å
OACHOACsing0.97Å0.95Å
OADHOADsing0.97Å0.95Å
CAFHAFsing1.08Å1.08Å
CAGHAGsing1.08Å1.08Å
CAHHAHsing1.08Å1.08Å
CAIHAIsing1.08Å1.08Å
CAJHAJsing1.08Å1.08Å
CAKHAKsing1.08Å1.08Å
CALHALsing1.08Å1.08Å
CAMHAMsing1.08Å1.08Å
CANHANsing1.08Å1.08Å
CAOHAOsing1.08Å1.08Å
CAPHAPsing1.09Å1.10Å
CAPHAPAsing1.09Å1.10Å
CAQHAQsing1.09Å1.10Å
CAQHAQAsing1.09Å1.10Å
CARHARsing1.09Å1.10Å
CARHARAsing1.09Å1.10Å
CASHASsing1.09Å1.10Å
CASHASAsing1.09Å1.10Å
CATHATsing1.09Å1.10Å
CATHATAsing1.09Å1.10Å
CAUHAUsing1.09Å1.10Å
CAUHAUAsing1.09Å1.10Å
CAVHAVsing1.09Å1.10Å
CAVHAVAsing1.09Å1.10Å
CAWHAWsing1.09Å1.10Å
CAWHAWAsing1.09Å1.10Å
CAXHAXsing1.09Å1.10Å
CAXHAXAsing1.09Å1.10Å
CAYHAYsing1.09Å1.10Å
CAYHAYAsing1.09Å1.10Å
NAZHNAZsing0.97Å1.00Å
CBHHBHsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAANBICAU109.5°111.0°
CAANBICAV109.7°111.0°
NBICAAHAA109.5°109.4°
NBICAAHAAA109.5°109.5°
NBICAAHAAB109.5°109.5°
OABCBANAZ124.5°120.0°
OABCBACBG120.3°120.0°
OACCAPCBH110.1°109.5°
CAPOACHOAC109.5°114.0°
OACCAPHAP109.3°109.4°
OACCAPHAPA109.3°109.5°
OADCBHCAP109.1°109.5°
OADCBHCAS109.4°109.4°
CBHOADHOAD109.5°114.0°
OADCBHHBH110.5°109.5°
CLAECBBCAK120.4°119.9°
CLAECBBCAL119.3°119.9°
CAGCAFCAH120.1°120.3°
CAFCAGCAI120.1°120.1°
CAGCAFHAF120.0°119.9°
CAFCAGHAG120.0°119.9°
CAFCAHCAJ119.6°120.2°
CAHCAFHAF119.9°119.8°
CAFCAHHAH120.2°119.9°
CAGCAICBD120.1°119.9°
CAICAGHAG120.0°119.9°
CAGCAIHAI120.0°120.0°
CAHCAJCBD120.4°119.8°
CAJCAHHAH120.2°119.9°
CAHCAJHAJ119.8°120.1°
CAICBDCAJ119.7°119.7°
CAICBDCBF120.2°120.1°
CBDCAIHAI120.0°120.1°
CAJCBDCBF120.0°120.1°
CBDCAJHAJ119.8°120.0°
CAMCAKCBB120.0°120.1°
CAKCAMCBC120.0°119.9°
CAMCAKHAK120.0°120.0°
CAKCAMHAM120.0°120.0°
CAKCBBCAL120.3°120.2°
CBBCAKHAK120.0°119.9°
CANCALCBB119.7°120.1°
CALCANCBC120.7°119.9°
CANCALHAL120.2°120.0°
CALCANHAN119.7°120.0°
CBBCALHAL120.2°120.0°
CAMCBCCAN119.4°119.8°
CAMCBCCBE120.1°120.1°
CBCCAMHAM120.0°120.1°
CANCBCCBE120.4°120.1°
CBCCANHAN119.7°120.1°
CBECAONBK108.1°109.1°
CAOCBECBC123.1°126.3°
CAOCBECBF108.4°107.5°
CBECAOHAO126.0°125.5°
CAONBKCAY125.7°125.4°
CAONBKCBG107.4°109.2°
NBKCAOHAO126.0°125.5°
CAPCBHCAS111.6°109.4°
CBHCAPHAP109.3°109.5°
CBHCAPHAPA109.3°109.5°
CAPCBHHBH108.3°109.5°
CARCAQCAT110.5°109.5°
CAQCARNAZ110.4°109.5°
CARCAQHAQ109.1°109.5°
CARCAQHAQA109.1°109.5°
CAQCARHAR109.2°109.5°
CAQCARHARA109.2°109.5°
CAQCATNBJ112.1°109.5°
CATCAQHAQ109.1°109.5°
CATCAQHAQA109.1°109.5°
CAQCATHAT108.6°109.4°
CAQCATHATA108.6°109.4°
CARNAZCBA123.2°120.0°
NAZCARHAR109.2°109.4°
NAZCARHARA109.2°109.5°
CARNAZHNAZ118.4°120.0°
CAYCASCBH111.8°109.4°
CASCAYNBK112.7°109.4°
CAYCASHAS108.7°109.5°
CAYCASHASA108.7°109.5°
CASCAYHAY108.4°109.5°
CASCAYHAYA108.4°109.5°
CBHCASHAS108.7°109.5°
CBHCASHASA108.7°109.5°
CASCBHHBH108.0°109.4°
CATNBJCAW110.7°111.0°
CATNBJCAX110.6°110.9°
NBJCATHAT108.6°109.5°
NBJCATHATA108.6°109.5°
CAWCAUNBI111.9°109.4°
CAUCAWNBJ113.1°109.4°
CAWCAUHAU108.7°109.5°
CAWCAUHAUA108.7°109.6°
CAUCAWHAW108.3°109.5°
CAUCAWHAWA108.3°109.5°
CAUNBICAV111.2°110.9°
NBICAUHAU108.7°109.5°
NBICAUHAUA108.6°109.4°
CAXCAVNBI113.3°109.3°
CAVCAXNBJ113.2°109.4°
CAXCAVHAV108.2°109.5°
CAXCAVHAVA108.2°109.5°
CAVCAXHAX108.2°109.5°
CAVCAXHAXA108.3°109.4°
NBICAVHAV108.2°109.5°
NBICAVHAVA108.2°109.5°
CAWNBJCAX113.1°110.9°
NBJCAWHAW108.2°109.5°
NBJCAWHAWA108.2°109.5°
NBJCAXHAX108.3°109.5°
NBJCAXHAXA108.2°109.5°
CAYNBKCBG126.9°125.4°
NBKCAYHAY108.4°109.4°
NBKCAYHAYA108.4°109.5°
NAZCBACBG115.2°120.0°
CBANAZHNAZ118.4°120.0°
CBACBGCBF126.3°126.2°
CBACBGNBK124.5°126.2°
CBCCBECBF128.4°126.3°
CBDCBFCBE127.5°126.7°
CBDCBFCBG125.5°126.6°
CBECBFCBG106.9°106.7°
CBFCBGNBK109.1°107.6°
HAACAAHAAA109.5°109.5°
HAACAAHAAB109.5°109.5°
HAAACAAHAAB109.5°109.5°
HAPCAPHAPA109.6°109.5°
HAQCAQHAQA109.8°109.4°
HARCARHARA109.8°109.5°
HASCASHASA110.2°109.5°
HATCATHATA110.3°109.4°
HAUCAUHAUA110.3°109.5°
HAVCAVHAVA110.7°109.5°
HAWCAWHAWA110.7°109.5°
HAXCAXHAXA110.6°109.5°
HAYCAYHAYA110.6°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAANBICAUCAW175.9°176.9°
CAANBICAUCAV121.4°123.8°
CAANBICAVCAX151.6°176.8°
NBICAAHAAHAAA120.0°120.0°
NBICAAHAAHAAB120.0°120.0°
NBICAAHAAAHAAB120.0°120.0°
CAANBICAUHAU64.1°63.2°
CAANBICAUHAUA55.9°56.8°
CAANBICAVHAV88.5°56.8°
CAANBICAVHAVA31.6°63.2°
OABCBANAZCAR1.0°4.8°
OABCBANAZCBG179.4°180.0°
OABCBACBGCBF111.4°88.6°
OABCBACBGNBK65.5°91.4°
OABCBANAZHNAZ179.0°175.3°
OACCAPCBHOAD58.8°65.0°
OACCAPCBHHAP120.0°119.9°
OACCAPCBHHAPA120.0°120.0°
OACCAPCBHCAS62.2°175.0°
OACCAPHAPHAPA119.8°120.0°
OACCAPCBHHBH179.1°55.1°
OADCBHCAPCAS121.0°120.0°
OADCBHCAPHBH120.3°120.1°
OADCBHCASCAY166.8°65.0°
OADCBHCASHBH120.3°120.0°
OADCBHCAPHAP178.8°54.9°
OADCBHCAPHAPA61.3°175.0°
OADCBHCASHAS46.8°175.0°
OADCBHCASHASA73.2°55.0°
CLAECBBCAKCAM179.5°180.0°
CLAECBBCAKCAL178.7°180.0°
CLAECBBCALCAN179.1°180.0°
CLAECBBCAKHAK0.5°0.3°
CLAECBBCALHAL0.9°0.0°
CAGCAFCAHHAF180.0°179.7°
CAFCAGCAIHAG180.0°180.0°
CAGCAFCAHCAJ0.0°0.0°
CAFCAGCAICBD0.4°0.0°
CAGCAFCAHHAH180.0°180.0°
CAFCAGCAIHAI179.6°179.9°
CAHCAFCAGCAI0.2°0.0°
CAFCAHCAJHAH180.0°179.9°
CAFCAHCAJCBD0.1°0.0°
CAHCAFCAGHAG179.8°180.0°
CAFCAHCAJHAJ180.0°180.0°
CAGCAICBDHAI180.0°179.9°
CAGCAICBDCAJ0.5°0.0°
CAGCAICBDCBF179.6°180.0°
CAICAGCAFHAF179.8°179.7°
CAHCAJCBDCAI0.3°0.0°
CAHCAJCBDHAJ180.0°180.0°
CAHCAJCBDCBF179.8°180.0°
CAJCAHCAFHAF180.0°179.7°
CAICBDCAJCBF179.9°180.0°
CAICBDCBFCBE70.9°113.3°
CAICBDCBFCBG106.4°66.7°
CBDCAICAGHAG179.6°180.0°
CAICBDCAJHAJ179.7°180.0°
CAJCBDCBFCBE109.0°66.7°
CAJCBDCBFCBG73.7°113.3°
CBDCAJCAHHAH179.9°179.9°
CAJCBDCAIHAI179.5°179.9°
CAMCAKCBBHAK180.0°179.7°
CAMCAKCBBCAL0.8°0.0°
CAKCAMCBCHAM180.0°180.0°
CAKCAMCBCCAN1.9°0.0°
CAKCAMCBCCBE178.0°180.0°
CAKCBBCALCAN0.3°0.0°
CBBCAKCAMCBC0.4°0.0°
CAKCBBCALHAL179.6°180.0°
CBBCAKCAMHAM179.6°180.0°
CANCALCBBHAL180.0°180.0°
CALCANCBCCAM2.4°0.0°
CALCANCBCHAN180.0°180.0°
CALCANCBCCBE178.4°180.0°
CBBCALCANCBC1.2°0.0°
CALCBBCAKHAK179.2°179.8°
CBBCALCANHAN178.8°179.9°
CAMCBCCANCBE176.1°180.0°
CAMCBCCBECAO50.0°55.5°
CAMCBCCBECBF134.1°124.5°
CBCCAMCAKHAK179.6°179.8°
CAMCBCCANHAN177.6°180.0°
CANCBCCBECAO126.1°124.5°
CANCBCCBECBF49.9°55.5°
CBCCANCALHAL178.8°180.0°
CANCBCCAMHAM178.1°180.0°
CBECAONBKHAO180.0°179.7°
CBECAONBKCAY179.8°180.0°
CAOCBECBCCBF176.0°180.0°
CAOCBECBFCBD179.9°180.0°
CAOCBECBFCBG2.3°0.0°
CBECAONBKCBG0.2°0.0°
CAONBKCAYCAS45.9°99.0°
CAONBKCAYCBG179.9°179.9°
CAONBKCBGCBA178.6°179.9°
NBKCAOCBECBC178.2°180.0°
NBKCAOCBECBF1.5°0.0°
CAONBKCBGCBF1.2°0.0°
CAONBKCAYHAY74.0°141.1°
CAONBKCAYHAYA165.9°21.0°
CAPCBHCASCAY45.9°175.0°
CAPCBHCASHBH118.9°120.0°
CBHCAPOACHOAC180.0°180.0°
CAPCBHOADHOAD180.0°59.9°
CBHCAPHAPHAPA119.7°120.1°
CAPCBHCASHAS74.1°55.0°
CAPCBHCASHASA165.9°65.0°
CARCAQCATHAQ120.0°120.1°
CARCAQCATHAQA120.0°120.0°
CAQCARNAZHAR120.0°120.0°
CAQCARNAZHARA120.0°120.0°
CARCAQCATNBJ59.1°180.0°
CAQCARNAZCBA80.4°180.0°
CARCAQHAQHAQA119.5°120.0°
CAQCARHARHARA119.6°120.0°
CARCAQCATHAT179.1°59.9°
CARCAQCATHATA60.9°59.9°
CAQCARNAZHNAZ99.6°0.0°
CATCAQCARNAZ61.0°180.0°
CAQCATNBJHAT120.0°120.0°
CAQCATNBJHATA120.0°120.0°
CAQCATNBJCAW73.3°170.0°
CAQCATNBJCAX160.6°66.2°
CATCAQHAQHAQA119.6°120.0°
CATCAQCARHAR179.0°60.0°
CATCAQCARHARA59.0°60.0°
CAQCATHATHATA118.9°119.9°
CARNAZCBAHNAZ180.0°180.0°
CARNAZCBACBG179.6°175.2°
NAZCARCAQHAQ179.0°60.0°
NAZCARCAQHAQA59.0°60.0°
NAZCARHARHARA119.6°120.0°
CAYCASCBHHAS120.0°120.0°
CAYCASCBHHASA120.0°120.0°
CASCAYNBKHAY120.0°120.0°
CASCAYNBKHAYA120.0°120.0°
CASCAYNBKCBG134.1°81.1°
CAYCASHASHASA119.0°120.0°
CASCAYHAYHAYA118.7°120.1°
CAYCASCBHHBH72.9°55.0°
CBHCASCAYNBK92.1°180.0°
CASCBHOADHOAD57.7°60.0°
CASCBHCAPHAP57.8°65.0°
CASCBHCAPHAPA177.7°55.0°
CBHCASHASHASA119.0°120.0°
CBHCASCAYHAY147.9°60.1°
CBHCASCAYHAYA27.9°60.0°
CATNBJCAWCAU100.9°176.9°
CATNBJCAXCAV68.9°176.8°
CATNBJCAWCAX124.6°123.8°
NBJCATCAQHAQ61.0°60.0°
NBJCATCAQHAQA179.0°59.9°
NBJCATHATHATA118.9°120.1°
CATNBJCAWHAW19.1°63.2°
CATNBJCAWHAWA139.1°56.9°
CATNBJCAXHAX171.0°56.8°
CATNBJCAXHAXA51.1°63.3°
CAWCAUNBIHAU120.0°119.9°
CAWCAUNBIHAUA120.0°120.0°
CAWCAUNBICAV62.8°59.3°
CAUCAWNBJHAW120.0°119.9°
CAUCAWNBJHAWA120.0°120.0°
CAUCAWNBJCAX23.8°59.3°
CAWCAUHAUHAUA119.0°120.1°
CAUCAWHAWHAWA118.5°120.1°
CAUNBICAVCAX30.3°59.3°
NBICAUCAWNBJ34.3°58.4°
CAUNBICAAHAA180.0°60.0°
CAUNBICAAHAAA60.0°180.0°
CAUNBICAAHAAB60.0°60.0°
NBICAUHAUHAUA119.0°120.0°
CAUNBICAVHAV150.3°179.3°
CAUNBICAVHAVA89.7°60.7°
NBICAUCAWHAW85.7°61.6°
NBICAUCAWHAWA154.3°178.4°
CAXCAVNBIHAV120.0°120.0°
CAXCAVNBIHAVA120.0°120.0°
CAVCAXNBJCAW55.7°59.3°
CAVCAXNBJHAX120.0°120.0°
CAVCAXNBJHAXA120.0°119.9°
CAXCAVHAVHAVA118.4°120.1°
CAVCAXHAXHAXA118.5°120.0°
NBICAVCAXNBJ27.4°58.4°
CAVNBICAAHAA57.7°176.2°
CAVNBICAAHAAA62.3°56.2°
CAVNBICAAHAAB177.7°63.8°
CAVNBICAUHAU57.2°60.6°
CAVNBICAUHAUA177.2°179.3°
NBICAVHAVHAVA118.5°120.1°
NBICAVCAXHAX92.7°178.4°
NBICAVCAXHAXA147.3°61.6°
CAWNBJCATHAT46.7°50.0°
CAWNBJCATHATA166.7°70.0°
NBJCAWCAUHAU85.7°61.6°
NBJCAWCAUHAUA154.3°178.4°
NBJCAWHAWHAWA118.5°120.0°
CAWNBJCAXHAX64.3°179.3°
CAWNBJCAXHAXA175.8°60.6°
CAXNBJCATHAT79.4°173.8°
CAXNBJCATHATA40.6°53.8°
NBJCAXCAVHAV92.6°178.4°
NBJCAXCAVHAVA147.3°61.6°
CAXNBJCAWHAW143.8°60.6°
CAXNBJCAWHAWA96.2°179.3°
NBJCAXHAXHAXA118.5°120.1°
CAYNBKCBGCBA1.4°0.0°
CAYNBKCBGCBF178.7°180.0°
CAYNBKCAOHAO0.2°0.3°
NBKCAYCASHAS147.9°60.0°
NBKCAYCASHASA27.9°60.0°
NBKCAYHAYHAYA118.7°120.0°
NAZCBACBGCBF69.2°91.4°
NAZCBACBGNBK113.9°88.6°
CBANAZCARHAR39.6°60.0°
CBANAZCARHARA159.6°60.0°
CBACBGCBFCBD2.8°0.1°
CBACBGCBFCBE179.4°180.0°
CBACBGCBFNBK177.3°179.9°
CBGCBANAZHNAZ0.4°4.7°
CBCCBECBFCBD3.6°0.0°
CBCCBECBFCBG178.7°180.0°
CBECBCCAMHAM2.0°0.0°
CBECBCCANHAN1.5°0.1°
CBCCBECAOHAO1.8°0.3°
CBDCBFCBECBG177.7°180.0°
CBDCBFCBGNBK179.9°180.0°
CBFCBDCAIHAI0.4°0.1°
CBFCBDCAJHAJ0.2°0.0°
CBECBFCBGNBK2.1°0.0°
CBFCBECAOHAO178.5°179.7°
CBGNBKCAOHAO179.8°179.7°
CBGNBKCAYHAY105.9°38.9°
CBGNBKCAYHAYA14.2°158.9°
HAACAAHAAAHAAB120.0°120.0°
HOACOACCAPHAP60.0°60.0°
HOACOACCAPHAPA60.0°60.0°
HOADOADCBHHBH61.1°180.0°
HAFCAFCAGHAG0.2°0.3°
HAFCAFCAHHAH0.0°0.4°
HAGCAGCAIHAI0.4°0.1°
HAHCAHCAJHAJ0.0°0.1°
HAKCAKCAMHAM0.4°0.2°
HALCALCANHAN1.2°0.1°
HAPCAPCBHHBH60.9°175.0°
HAPACAPCBHHBH59.0°65.0°
HAQCAQCARHAR59.0°60.0°
HAQCAQCARHARA61.0°180.0°
HAQCAQCATHAT59.1°180.0°
HAQCAQCATHATA179.1°60.1°
HAQACAQCARHAR61.0°179.9°
HAQACAQCARHARA179.0°60.0°
HAQACAQCATHAT61.0°60.1°
HAQACAQCATHATA59.1°180.0°
HARCARNAZHNAZ140.4°120.0°
HARACARNAZHNAZ20.4°120.0°
HASCASCAYHAY28.0°59.9°
HASCASCAYHAYA92.1°180.0°
HASCASCBHHBH167.1°65.0°
HASACASCAYHAY92.1°179.9°
HASACASCAYHAYA147.9°60.0°
HASACASCBHHBH47.1°175.0°
HAUCAUCAWHAW154.3°178.5°
HAUCAUCAWHAWA34.3°58.4°
HAUACAUCAWHAW34.3°58.4°
HAUACAUCAWHAWA85.7°61.6°
HAVCAVCAXHAX147.3°61.6°
HAVCAVCAXHAXA27.3°58.4°
HAVACAVCAXHAX27.3°58.4°
HAVACAVCAXHAXA92.7°178.5°

246704

PDB entries from 2025-12-24

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