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B36

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBBCBEdoub1.46Å1.50ÅAromatic
CAKCBEsing1.41Å1.45ÅAromatic
CBECAZsing1.41Å1.48ÅAromatic
CAECAKdoub1.36Å1.46ÅAromatic
CAKHAKsing1.08Å1.08Å
CACCAEsing1.39Å1.44ÅAromatic
CAEHAEsing1.08Å1.08Å
CACCAIdoub1.36Å1.44ÅAromatic
CACHACsing1.08Å1.08Å
CAICBBsing1.41Å1.46ÅAromatic
CAIHAIsing1.08Å1.08Å
CBBCAPsing1.40Å1.46ÅAromatic
CAPCBCdoub1.40Å1.45ÅAromatic
CAPHAPsing1.08Å1.08Å
CBCCAJsing1.41Å1.45ÅAromatic
CBCCBFsing1.46Å1.50ÅAromatic
CAJCADdoub1.36Å1.46ÅAromatic
CAJHAJsing1.08Å1.08Å
CADCAFsing1.39Å1.45ÅAromatic
CADHADsing1.08Å1.08Å
CALCAFdoub1.36Å1.47ÅAromatic
CAFHAFsing1.08Å1.08Å
CBFCALsing1.41Å1.50ÅAromatic
CALHALsing1.08Å1.08Å
CAZCBFdoub1.41Å1.50ÅAromatic
CAZCAWsing1.47Å1.54Å
OABCAWdoub1.22Å1.27Å
CAWNBHsing1.35Å1.43Å
NBHCASsing1.47Å1.52Å
NBHCATsing1.47Å1.50Å
CATCARsing1.53Å1.53Å
CATHATsing1.09Å1.10Å
CATHATAsing1.09Å1.10Å
CARCBGsing1.53Å1.56Å
CARHARsing1.09Å1.10Å
CARHARAsing1.09Å1.10Å
CASCAQsing1.53Å1.57Å
CASHASsing1.09Å1.10Å
CASHASAsing1.09Å1.10Å
CAQCBGsing1.53Å1.58Å
CAQHAQsing1.09Å1.10Å
CAQHAQAsing1.09Å1.10Å
CBGCAUsing1.53Å1.61Å
CBGHBGsing1.09Å1.10Å
CAUCAYsing1.51Å1.55Å
CAUHAUsing1.09Å1.10Å
CAUHAUAsing1.09Å1.10Å
CAYCAOdoub1.36Å1.44ÅAromatic
CAYCAHsing1.39Å1.46ÅAromatic
CAOCBAsing1.40Å1.45ÅAromatic
CAOHAOsing1.08Å1.08Å
CBACAMdoub1.41Å1.45ÅAromatic
CBACBDsing1.42Å1.51ÅAromatic
CAMCAGsing1.37Å1.44ÅAromatic
CAMHAMsing1.08Å1.08Å
CAGCAXdoub1.39Å1.46ÅAromatic
CAGHAGsing1.08Å1.08Å
NAVCAXsing1.31Å1.45ÅAromatic
CAXCAAsing1.51Å1.53Å
CAAHAAsing1.09Å1.10Å
CAAHAAAsing1.09Å1.10Å
CAAHAABsing1.09Å1.10Å
CBDNAVdoub1.34Å1.43ÅAromatic
CANCBDsing1.41Å1.44ÅAromatic
CAHCANdoub1.36Å1.46ÅAromatic
CANHANsing1.08Å1.08Å
CAHHAHsing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBBCBECAK117.8°118.8°
CBBCBECAZ119.8°120.0°
CBECBBCAI120.4°118.7°
CBECBBCAP121.2°120.4°
CAKCBECAZ122.3°121.1°
CBECAKCAE120.5°119.6°
CBECAKHAK119.8°120.2°
CBECAZCBF118.4°119.2°
CBECAZCAW122.4°120.4°
CAECAKHAK119.8°120.2°
CAKCAECAC121.0°121.6°
CAKCAEHAE119.5°119.1°
CACCAEHAE119.5°119.3°
CAECACCAI120.1°121.7°
CAECACHAC119.9°119.2°
CAICACHAC119.9°119.1°
CACCAICBB120.2°119.5°
CACCAIHAI119.9°120.2°
CBBCAIHAI119.9°120.3°
CAICBBCAP118.4°121.0°
CBBCAPCBC119.7°119.9°
CBBCAPHAP120.2°120.0°
CBCCAPHAP120.2°120.1°
CAPCBCCAJ119.1°121.0°
CAPCBCCBF120.8°120.3°
CAJCBCCBF120.1°118.7°
CBCCAJCAD121.0°119.6°
CBCCAJHAJ119.5°120.2°
CBCCBFCAL117.6°118.8°
CBCCBFCAZ120.1°120.1°
CADCAJHAJ119.5°120.2°
CAJCADCAF120.7°121.6°
CAJCADHAD119.7°119.2°
CAFCADHAD119.7°119.2°
CADCAFCAL119.6°121.6°
CADCAFHAF120.2°119.2°
CALCAFHAF120.2°119.2°
CAFCALCBF121.1°119.6°
CAFCALHAL119.5°120.2°
CBFCALHAL119.4°120.2°
CALCBFCAZ122.3°121.1°
CBFCAZCAW119.2°120.4°
CAZCAWOAB120.0°120.0°
CAZCAWNBH119.5°120.0°
OABCAWNBH120.5°120.0°
CAWNBHCAS120.3°120.7°
CAWNBHCAT123.6°120.6°
CASNBHCAT116.0°118.7°
NBHCASCAQ110.3°108.8°
NBHCASHAS109.2°109.6°
NBHCASHASA109.0°109.6°
NBHCATCAR108.5°108.8°
NBHCATHAT109.8°109.6°
NBHCATHATA110.0°109.6°
CARCATHAT109.8°109.6°
CARCATHATA110.0°109.5°
CATCARCBG110.3°109.3°
CATCARHAR109.2°109.5°
CATCARHARA109.0°109.5°
HATCATHATA108.7°109.7°
CBGCARHAR109.2°109.5°
CBGCARHARA109.0°109.5°
CARCBGCAQ110.3°109.4°
CARCBGCAU115.1°109.5°
CARCBGHBG104.9°109.5°
HARCARHARA110.1°109.6°
CAQCASHAS109.2°109.6°
CAQCASHASA109.0°109.6°
CASCAQCBG112.3°109.4°
CASCAQHAQ108.5°109.5°
CASCAQHAQA107.9°109.5°
HASCASHASA110.1°109.7°
CBGCAQHAQ108.5°109.5°
CBGCAQHAQA107.9°109.4°
CAQCBGCAU109.4°109.3°
CAQCBGHBG111.2°109.7°
HAQCAQHAQA111.8°109.5°
CAUCBGHBG105.9°109.4°
CBGCAUCAY116.7°109.5°
CBGCAUHAU107.1°109.5°
CBGCAUHAUA105.5°109.5°
CAYCAUHAU107.1°109.4°
CAYCAUHAUA105.5°109.4°
CAUCAYCAO123.4°119.6°
CAUCAYCAH117.8°119.6°
HAUCAUHAUA115.3°109.5°
CAOCAYCAH118.7°120.8°
CAYCAOCBA120.2°119.6°
CAYCAOHAO119.9°120.2°
CAYCAHCAN122.3°121.1°
CAYCAHHAH118.8°119.4°
CBACAOHAO119.9°120.2°
CAOCBACAM118.2°121.4°
CAOCBACBD120.9°119.6°
CAMCBACBD120.9°119.0°
CBACAMCAG119.5°118.2°
CBACAMHAM120.3°120.9°
CBACBDNAV118.3°119.8°
CBACBDCAN118.0°119.1°
CAGCAMHAM120.2°120.9°
CAMCAGCAX119.1°119.9°
CAMCAGHAG120.4°120.1°
CAXCAGHAG120.5°120.0°
CAGCAXNAV122.0°121.7°
CAGCAXCAA118.0°119.2°
NAVCAXCAA120.0°119.1°
CAXNAVCBD120.3°121.4°
CAXCAAHAA109.5°109.5°
CAXCAAHAAA109.4°109.5°
CAXCAAHAAB109.5°109.4°
HAACAAHAAA109.5°109.5°
HAACAAHAAB109.5°109.5°
HAAACAAHAAB109.5°109.5°
NAVCBDCAN123.7°121.1°
CBDCANCAH119.8°119.8°
CBDCANHAN120.1°120.0°
CAHCANHAN120.1°120.2°
CANCAHHAH118.8°119.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CBBCBECAKCAZ179.6°179.7°
CBBCBECAKCAE0.4°0.3°
CBBCBECAKHAK179.7°179.8°
CBECBBCAICAC0.5°0.5°
CBECBBCAICAP179.7°179.5°
CBECBBCAIHAI179.5°179.8°
CBECBBCAPCBC0.3°0.5°
CBECBBCAPHAP179.7°179.5°
CBBCBECAZCBF0.7°0.6°
CBBCBECAZCAW179.3°179.8°
CBECAKCAEHAK180.0°179.9°
CBECAKCAECAC0.4°0.1°
CBECAKCAEHAE179.7°180.0°
CAKCBECBBCAI0.8°0.5°
CAKCBECBBCAP179.5°180.0°
CAKCBECAZCBF179.7°179.2°
CAKCBECAZCAW0.3°0.1°
CAZCBECAKCAE179.2°180.0°
CAZCBECAKHAK0.7°0.0°
CAZCBECBBCAI178.8°179.7°
CAZCBECBBCAP0.8°0.2°
CBECAZCBFCBC0.1°1.0°
CBECAZCBFCAL179.8°179.7°
CBECAZCBFCAW180.0°179.2°
CBECAZCAWOAB89.5°90.0°
CBECAZCAWNBH92.6°90.0°
CAKCAECACHAE180.0°179.9°
CAKCAECACCAI0.7°0.1°
CAKCAECACHAC179.3°180.0°
HAKCAKCAECAC179.6°180.0°
HAKCAKCAEHAE0.4°0.1°
CAECACCAIHAC180.0°180.0°
CAECACCAICBB0.3°0.3°
CAECACCAIHAI179.7°180.0°
HAECAECACCAI179.3°180.0°
HAECAECACHAC0.7°0.0°
CACCAICBBHAI180.0°179.7°
CACCAICBBCAP179.8°180.0°
HACCACCAICBB179.7°179.7°
HACCACCAIHAI0.3°0.0°
CAICBBCAPCBC179.4°180.0°
CAICBBCAPHAP0.6°0.0°
HAICAICBBCAP0.2°0.3°
CBBCAPCBCHAP180.0°179.9°
CBBCAPCBCCAJ179.9°180.0°
CBBCAPCBCCBF0.3°0.1°
CAPCBCCAJCBF179.7°180.0°
CAPCBCCAJCAD179.8°180.0°
CAPCBCCAJHAJ0.2°0.0°
CAPCBCCBFCAL179.7°179.9°
CAPCBCCBFCAZ0.5°0.7°
HAPCAPCBCCAJ0.1°0.0°
HAPCAPCBCCBF179.6°180.0°
CBCCAJCADHAJ180.0°180.0°
CBCCAJCADCAF0.2°0.0°
CBCCAJCADHAD179.8°180.0°
CAJCBCCBFCAL0.1°0.1°
CAJCBCCBFCAZ179.8°179.2°
CBFCBCCAJCAD0.0°0.0°
CBFCBCCAJHAJ179.9°180.0°
CBCCBFCALCAF0.0°0.1°
CBCCBFCALCAZ179.9°179.3°
CBCCBFCALHAL180.0°180.0°
CBCCBFCAZCAW179.9°179.8°
CAJCADCAFHAD180.0°179.9°
CAJCADCAFCAL0.3°0.0°
CAJCADCAFHAF179.7°180.0°
HAJCAJCADCAF179.8°179.9°
HAJCAJCADHAD0.2°0.0°
CADCAFCALHAF180.0°180.0°
CADCAFCALCBF0.2°0.0°
CADCAFCALHAL179.8°180.0°
HADCADCAFCAL179.7°180.0°
HADCADCAFHAF0.3°0.1°
CAFCALCBFHAL180.0°179.9°
CAFCALCBFCAZ179.9°179.2°
HAFCAFCALCBF179.8°180.0°
HAFCAFCALHAL0.1°0.0°
CALCBFCAZCAW0.2°0.5°
HALCALCBFCAZ0.1°0.7°
CBFCAZCAWOAB90.6°89.3°
CBFCAZCAWNBH87.3°90.8°
CAZCAWOABNBH177.9°179.9°
CAZCAWNBHCAS177.4°180.0°
CAZCAWNBHCAT5.7°0.3°
OABCAWNBHCAS0.5°0.1°
OABCAWNBHCAT176.4°179.7°
CAWNBHCASCAT177.1°179.7°
CAWNBHCATCAR123.3°126.4°
CAWNBHCATHAT116.6°113.8°
CAWNBHCATHATA3.0°6.6°
CAWNBHCASCAQ129.9°126.4°
CAWNBHCASHAS9.9°6.6°
CAWNBHCASHASA110.5°113.8°
CASNBHCATCAR59.6°53.3°
CASNBHCATHAT60.4°66.5°
CASNBHCATHATA180.0°173.1°
NBHCASCAQHAS120.0°119.8°
NBHCASCAQHASA119.7°119.8°
NBHCASHASHASA119.7°120.3°
NBHCASCAQCBG47.3°54.7°
NBHCASCAQHAQ72.6°65.3°
NBHCASCAQHAQA166.1°174.6°
NBHCATCARHAT120.0°119.8°
NBHCATCARHATA120.4°119.8°
NBHCATHATHATA120.4°120.4°
NBHCATCARCBG60.4°54.6°
NBHCATCARHAR179.6°174.6°
NBHCATCARHARA59.2°65.3°
CATNBHCASCAQ53.0°53.3°
CATNBHCASHAS173.0°173.1°
CATNBHCASHASA66.7°66.5°
CARCATHATHATA120.4°120.3°
CATCARCBGHAR120.0°119.9°
CATCARCBGHARA119.7°119.9°
CATCARHARHARA119.7°120.1°
CATCARCBGCAQ57.9°61.6°
CATCARCBGCAU177.8°178.6°
CATCARCBGHBG61.9°58.7°
HATCATCARCBG59.6°65.2°
HATCATCARHAR60.4°54.8°
HATCATCARHARA179.2°174.9°
HATACATCARCBG179.2°174.4°
HATACATCARHAR59.2°65.6°
HATACATCARHARA61.2°54.5°
CBGCARHARHARA119.7°120.1°
CARCBGCAQCAS51.3°61.6°
CARCBGCAQCAU127.6°119.9°
CARCBGCAQHBG115.9°120.1°
CARCBGCAQHAQ68.7°58.4°
CARCBGCAQHAQA170.1°178.4°
CARCBGCAUHBG115.3°120.0°
CARCBGCAUCAY50.0°175.0°
CARCBGCAUHAU70.0°55.0°
CARCBGCAUHAUA166.7°65.0°
HARCARCBGCAQ177.9°178.5°
HARCARCBGCAU57.8°58.7°
HARCARCBGHBG58.1°61.3°
HARACARCBGCAQ61.8°58.3°
HARACARCBGCAU62.6°61.5°
HARACARCBGHBG178.5°178.6°
CAQCASHASHASA119.7°120.4°
CASCAQCBGHAQ120.0°120.0°
CASCAQCBGHAQA118.8°119.9°
CASCAQHAQHAQA118.8°120.1°
CASCAQCBGCAU178.9°178.5°
CASCAQCBGHBG64.6°58.5°
HASCASCAQCBG167.3°174.5°
HASCASCAQHAQ47.4°54.5°
HASCASCAQHAQA73.9°65.6°
HASACASCAQCBG72.3°65.1°
HASACASCAQHAQ167.7°174.9°
HASACASCAQHAQA46.4°54.8°
CBGCAQHAQHAQA118.8°120.0°
CAQCBGCAUHBG119.8°120.2°
CAQCBGCAUCAY174.8°65.2°
CAQCBGCAUHAU54.8°174.9°
CAQCBGCAUHAUA68.5°54.8°
HAQCAQCBGCAU58.9°61.5°
HAQCAQCBGHBG175.4°178.5°
HAQACAQCBGCAU62.3°58.6°
HAQACAQCBGHBG54.2°61.4°
CBGCAUCAYHAU120.0°120.0°
CBGCAUCAYHAUA116.7°120.0°
CBGCAUHAUHAUA117.0°120.0°
CBGCAUCAYCAO35.9°90.0°
CBGCAUCAYCAH140.9°90.2°
HBGCBGCAUCAY65.4°55.0°
HBGCBGCAUHAU174.6°65.0°
HBGCBGCAUHAUA51.3°175.0°
CAYCAUHAUHAUA117.1°119.9°
CAUCAYCAOCAH176.7°179.8°
CAUCAYCAOCBA175.4°180.0°
CAUCAYCAOHAO4.6°0.1°
CAUCAYCAHCAN176.8°179.7°
CAUCAYCAHHAH3.2°0.0°
HAUCAUCAYCAO155.9°30.0°
HAUCAUCAYCAH20.9°149.8°
HAUACAUCAYCAO80.8°150.0°
HAUACAUCAYCAH102.4°29.8°
CAYCAOCBAHAO180.0°179.9°
CAYCAOCBACAM176.7°180.0°
CAYCAOCBACBD1.2°0.1°
CAOCAYCAHCAN0.1°0.5°
CAOCAYCAHHAH179.9°179.7°
CAHCAYCAOCBA1.3°0.3°
CAHCAYCAOHAO178.7°179.8°
CAYCAHCANCBD1.3°0.6°
CAYCAHCANHAH180.0°179.7°
CAYCAHCANHAN178.7°179.7°
CAOCBACAMCBD177.9°179.9°
CAOCBACAMCAG177.0°180.0°
CAOCBACAMHAM3.0°0.1°
CAOCBACBDNAV178.0°179.9°
CAOCBACBDCAN0.2°0.1°
HAOCAOCBACAM3.3°0.2°
HAOCAOCBACBD178.8°179.9°
CBACAMCAGHAM180.0°179.9°
CBACAMCAGCAX0.9°0.1°
CBACAMCAGHAG179.1°180.0°
CAMCBACBDNAV0.2°0.0°
CAMCBACBDCAN178.0°180.0°
CBDCBACAMCAG0.9°0.1°
CBDCBACAMHAM179.1°180.0°
CBACBDNAVCAX1.1°0.0°
CBACBDNAVCAN178.1°180.0°
CBACBDCANCAH1.4°0.3°
CBACBDCANHAN178.6°179.9°
CAMCAGCAXHAG180.0°179.9°
CAMCAGCAXNAV0.1°0.0°
CAMCAGCAXCAA179.0°180.0°
HAMCAMCAGCAX179.1°180.0°
HAMCAMCAGHAG0.9°0.1°
CAGCAXNAVCAA179.0°180.0°
CAGCAXCAAHAA113.9°90.0°
CAGCAXCAAHAAA6.1°150.0°
CAGCAXCAAHAAB126.1°30.0°
CAGCAXNAVCBD1.1°0.0°
HAGCAGCAXNAV179.9°180.0°
HAGCAGCAXCAA1.0°0.0°
NAVCAXCAAHAA67.1°90.0°
NAVCAXCAAHAAA172.9°30.0°
NAVCAXCAAHAAB52.9°150.0°
CAXNAVCBDCAN176.9°180.0°
CAXCAAHAAHAAA120.0°120.1°
CAXCAAHAAHAAB120.0°119.9°
CAXCAAHAAAHAAB120.0°120.0°
CAACAXNAVCBD177.9°180.0°
HAACAAHAAAHAAB120.0°120.0°
NAVCBDCANCAH176.7°179.7°
NAVCBDCANHAN3.3°0.0°
CBDCANCAHHAN180.0°179.7°
CBDCANCAHHAH178.7°179.7°
HANCANCAHHAH1.3°0.0°

225158

PDB entries from 2024-09-18

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