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AW3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C2doub1.32Å1.40ÅAromatic
N1C6sing1.33Å1.34ÅAromatic
C2N3sing1.32Å1.40ÅAromatic
C2H2sing1.08Å1.08Å
N3C4doub1.33Å1.34ÅAromatic
C5C4sing1.41Å1.34ÅAromatic
C4NBJsing1.37Å1.34ÅAromatic
C6C5doub1.40Å1.33ÅAromatic
C5CBBsing1.46Å1.33ÅAromatic
NADC6sing1.38Å1.33Å
BRHCBBsing1.89Å1.89Å
CBKCAAsing1.53Å1.53Å
CAAHAAsing1.09Å1.10Å
CAAHAAAsing1.09Å1.10Å
CAAHAABsing1.09Å1.10Å
CABCBKsing1.53Å1.54Å
CABHABsing1.09Å1.10Å
CABHABAsing1.09Å1.10Å
CABHABBsing1.09Å1.10Å
CBKCACsing1.53Å1.53Å
CACHACsing1.09Å1.10Å
CACHACAsing1.09Å1.10Å
CACHACBsing1.09Å1.10Å
NADHNADsing0.97Å1.00Å
NADHNAAsing0.97Å1.00Å
CAYOAEdoub1.22Å1.23Å
OAFCBFsing1.43Å1.43Å
OAFHOAFsing0.97Å0.95Å
OAGCBGsing1.43Å1.44Å
OAGHOAGsing0.97Å0.95Å
CBACAJdoub1.39Å1.39ÅAromatic
CAJCALsing1.38Å1.39ÅAromatic
CAJHAJsing1.08Å1.08Å
CBACAKsing1.39Å1.39ÅAromatic
CAKCAMdoub1.38Å1.39ÅAromatic
CAKHAKsing1.08Å1.08Å
CALCBCdoub1.38Å1.39ÅAromatic
CALHALsing1.08Å1.08Å
CAMCBCsing1.38Å1.39ÅAromatic
CAMHAMsing1.08Å1.08Å
CBBCANdoub1.34Å1.33ÅAromatic
NBJCANsing1.37Å1.33ÅAromatic
CANHANsing1.08Å1.08Å
CAPCAOsing1.53Å1.55Å
CAOCAQsing1.53Å1.51Å
CAOHAOsing1.09Å1.10Å
CAOHAOAsing1.09Å1.10Å
NAUCAPsing1.47Å1.47Å
CAPHAPsing1.09Å1.10Å
CAPHAPAsing1.09Å1.10Å
CAQNAVsing1.46Å1.45Å
CAQHAQsing1.09Å1.10Å
CAQHAQAsing1.09Å1.10Å
CBHCARsing1.53Å1.54Å
CARNAUsing1.47Å1.47Å
CARHARsing1.09Å1.10Å
CARHARAsing1.09Å1.10Å
NAUHNAUsing1.01Å1.00Å
NAVCAYsing1.35Å1.33Å
NAVHNAVsing0.97Å1.00Å
CAYNAWsing1.35Å1.34Å
NAWCBAsing1.40Å1.33Å
NAWHNAWsing0.97Å1.00Å
CBIOAXsing1.44Å1.44Å
CBHOAXsing1.44Å1.45Å
CBCCBKsing1.51Å1.39Å
CBGCBFsing1.54Å1.53Å
CBFCBHsing1.54Å1.52Å
CBFHBFsing1.09Å1.10Å
CBGCBIsing1.54Å1.52Å
CBGHBGsing1.09Å1.10Å
CBHHBHsing1.09Å1.10Å
NBJCBIsing1.47Å1.49Å
CBIHBIsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1C6118.6°121.1°
N1C2N3118.2°122.7°
N1C2H2120.9°118.7°
N1C6C5121.8°118.3°
N1C6NAD121.6°120.9°
N3C2H2120.9°118.7°
C2N3C4119.9°120.8°
N3C4C5120.3°118.5°
N3C4NBJ131.5°134.3°
C5C4NBJ108.2°107.1°
C4C5C6121.2°118.7°
C4C5CBB106.5°106.2°
C4NBJCAN108.5°110.0°
C4NBJCBI126.2°125.0°
C6C5CBB132.3°135.1°
C5C6NAD116.6°120.8°
C5CBBBRH124.3°126.6°
C5CBBCAN110.4°106.8°
C6NADHNAD109.5°120.0°
C6NADHNAA109.5°120.0°
BRHCBBCAN125.3°126.6°
CBKCAAHAA109.5°109.5°
CBKCAAHAAA109.5°109.5°
CBKCAAHAAB109.5°109.5°
CAACBKCAB109.8°109.5°
CAACBKCAC109.1°109.4°
CAACBKCBC109.1°109.5°
HAACAAHAAA109.4°109.5°
HAACAAHAAB109.4°109.4°
HAAACAAHAAB109.5°109.5°
CBKCABHAB109.5°109.4°
CBKCABHABA109.5°109.5°
CBKCABHABB109.5°109.4°
CABCBKCAC109.3°109.5°
CABCBKCBC109.1°109.5°
HABCABHABA109.4°109.4°
HABCABHABB109.5°109.5°
HABACABHABB109.5°109.5°
CBKCACHAC109.5°109.5°
CBKCACHACA109.5°109.5°
CBKCACHACB109.5°109.4°
CACCBKCBC110.3°109.5°
HACCACHACA109.5°109.5°
HACCACHACB109.5°109.5°
HACACACHACB109.4°109.5°
HNADNADHNAA109.5°120.1°
OAECAYNAV119.1°120.0°
OAECAYNAW120.7°120.0°
CBFOAFHOAF109.5°114.0°
OAFCBFCBG110.6°110.5°
OAFCBFCBH109.5°110.5°
OAFCBFHBF111.6°110.4°
CBGOAGHOAG109.5°114.0°
OAGCBGCBF110.9°110.5°
OAGCBGCBI110.0°110.5°
OAGCBGHBG111.7°110.5°
CBACAJCAL120.1°119.9°
CBACAJHAJ120.0°120.0°
CAJCBACAK119.6°119.9°
CAJCBANAW119.7°120.1°
CALCAJHAJ119.9°120.0°
CAJCALCBC120.2°120.1°
CAJCALHAL119.9°120.0°
CBACAKCAM120.3°119.9°
CBACAKHAK119.8°120.0°
CAKCBANAW120.6°120.0°
CAMCAKHAK119.9°120.0°
CAKCAMCBC120.1°120.0°
CAKCAMHAM120.0°120.0°
CBCCALHAL119.9°119.9°
CALCBCCAM119.8°120.1°
CALCBCCBK119.9°119.9°
CBCCAMHAM120.0°120.0°
CAMCBCCBK120.4°119.9°
CBBCANNBJ106.4°109.8°
CBBCANHAN126.8°125.1°
NBJCANHAN126.8°125.1°
CANNBJCBI125.3°125.0°
CAPCAOCAQ101.0°109.5°
CAPCAOHAO111.6°109.5°
CAPCAOHAOA111.6°109.5°
CAOCAPNAU115.1°109.5°
CAOCAPHAP108.0°109.5°
CAOCAPHAPA108.0°109.5°
CAQCAOHAO111.5°109.5°
CAQCAOHAOA111.6°109.4°
CAOCAQNAV109.9°109.5°
CAOCAQHAQ109.4°109.5°
CAOCAQHAQA109.4°109.4°
HAOCAOHAOA109.5°109.5°
NAUCAPHAP108.1°109.5°
NAUCAPHAPA108.1°109.4°
CAPNAUCAR110.0°111.0°
CAPNAUHNAU109.3°111.0°
HAPCAPHAPA109.5°109.5°
NAVCAQHAQ109.4°109.5°
NAVCAQHAQA109.4°109.5°
CAQNAVCAY115.9°120.0°
CAQNAVHNAV122.1°120.0°
HAQCAQHAQA109.5°109.5°
CBHCARNAU109.9°109.5°
CBHCARHAR109.4°109.5°
CBHCARHARA109.3°109.5°
CARCBHOAX111.6°110.3°
CARCBHCBF110.3°110.4°
CARCBHHBH109.4°110.4°
NAUCARHAR109.3°109.5°
NAUCARHARA109.4°109.5°
CARNAUHNAU109.4°111.0°
HARCARHARA109.5°109.4°
CAYNAVHNAV122.1°119.9°
NAVCAYNAW120.2°120.0°
CAYNAWCBA114.6°120.0°
CAYNAWHNAW122.7°120.0°
CBANAWHNAW122.7°120.0°
CBIOAXCBH104.1°105.2°
OAXCBICBG102.1°104.8°
OAXCBINBJ113.0°110.3°
OAXCBIHBI110.1°110.4°
OAXCBHCBF105.3°104.8°
OAXCBHHBH110.6°110.4°
CBGCBFCBH104.3°104.1°
CBGCBFHBF110.2°110.6°
CBFCBGCBI103.1°104.0°
CBFCBGHBG110.3°110.5°
CBHCBFHBF110.3°110.5°
CBFCBHHBH109.6°110.4°
CBICBGHBG110.4°110.7°
CBGCBINBJ112.8°110.3°
CBGCBIHBI109.0°110.4°
NBJCBIHBI109.5°110.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C2N3H2180.0°180.0°
N1C2N3C40.1°0.0°
C2N1C6C50.0°0.1°
C2N1C6NAD179.8°180.0°
C6N1C2N30.1°0.0°
C6N1C2H2179.9°180.0°
N1C6C5C40.0°0.0°
N1C6C5NAD179.8°179.9°
N1C6C5CBB179.6°180.0°
N1C6NADHNAD0.0°0.1°
N1C6NADHNAA120.0°180.0°
C2N3C4C50.1°0.0°
C2N3C4NBJ179.8°180.0°
H2C2N3C4179.9°180.0°
N3C4C5NBJ179.8°180.0°
N3C4C5C60.0°0.0°
N3C4C5CBB179.7°180.0°
N3C4NBJCAN179.9°180.0°
N3C4NBJCBI0.8°0.1°
C4C5C6CBB179.7°179.9°
C4C5C6NAD179.8°179.9°
C4C5CBBBRH179.7°179.9°
C4C5CBBCAN0.3°0.0°
C5C4NBJCAN0.1°0.0°
C5C4NBJCBI179.5°179.9°
NBJC4C5C6179.8°180.0°
NBJC4C5CBB0.1°0.0°
C4NBJCANCBB0.3°0.1°
C4NBJCANCBI179.4°179.9°
C4NBJCANHAN179.7°180.0°
C4NBJCBIOAX70.6°159.6°
C4NBJCBICBG44.6°85.1°
C4NBJCBIHBI166.2°37.3°
C6C5CBBBRH0.6°0.1°
C5C6NADHNAD179.8°180.0°
C5C6NADHNAA59.8°0.1°
C6C5CBBCAN180.0°180.0°
CBBC5C6NAD0.2°0.1°
C5CBBBRHCAN179.3°179.9°
C5CBBCANNBJ0.4°0.1°
C5CBBCANHAN179.6°180.0°
C6NADHNADHNAA120.0°179.9°
BRHCBBCANNBJ179.7°180.0°
BRHCBBCANHAN0.3°0.1°
CBKCAAHAAHAAA120.0°120.1°
CBKCAAHAAHAAB120.0°120.0°
CBKCAAHAAAHAAB120.0°120.0°
CAACBKCABCAC119.7°120.0°
CAACBKCABCBC119.6°120.0°
CAACBKCABHAB180.0°60.0°
CAACBKCABHABA60.0°60.0°
CAACBKCABHABB60.0°180.0°
CAACBKCACCBC119.9°120.0°
CAACBKCACHAC180.0°60.1°
CAACBKCACHACA60.0°60.0°
CAACBKCACHACB60.0°180.0°
CAACBKCBCCAL19.7°180.0°
CAACBKCBCCAM160.2°0.0°
HAACAAHAAAHAAB120.0°120.0°
HAACAACBKCAB180.0°60.0°
HAACAACBKCAC60.1°180.0°
HAACAACBKCBC60.5°60.0°
HAAACAACBKCAB60.0°180.0°
HAAACAACBKCAC179.9°60.0°
HAAACAACBKCBC59.5°60.0°
HAABCAACBKCAB60.0°60.0°
HAABCAACBKCAC59.8°60.0°
HAABCAACBKCBC179.5°180.0°
CBKCABHABHABA120.0°120.0°
CBKCABHABHABB120.0°120.0°
CBKCABHABAHABB120.0°120.0°
CABCBKCACCBC119.9°120.0°
CABCBKCACHAC59.8°59.9°
CABCBKCACHACA179.9°180.0°
CABCBKCACHACB60.2°60.0°
CABCBKCBCCAL139.7°60.0°
CABCBKCBCCAM40.2°120.0°
HABCABHABAHABB120.0°120.0°
HABCABCBKCAC60.2°180.0°
HABCABCBKCBC60.5°60.0°
HABACABCBKCAC59.8°60.0°
HABACABCBKCBC179.5°180.0°
HABBCABCBKCAC179.8°60.1°
HABBCABCBKCBC59.5°60.0°
CBKCACHACHACA120.0°120.0°
CBKCACHACHACB120.0°119.9°
CBKCACHACAHACB120.0°119.9°
CACCBKCBCCAL100.2°60.0°
CACCBKCBCCAM79.9°120.0°
HACCACHACAHACB120.0°120.0°
HACCACCBKCBC60.1°180.0°
HACACACCBKCBC59.9°60.0°
HACBCACCBKCBC179.9°60.0°
OAECAYNAVCAQ3.8°0.0°
OAECAYNAVNAW178.4°180.0°
OAECAYNAVHNAV176.2°180.0°
OAECAYNAWCBA1.0°5.4°
OAECAYNAWHNAW179.0°174.7°
OAFCBFCBGOAG15.0°0.0°
OAFCBFCBHCAR108.3°98.5°
OAFCBFCBHOAX131.2°142.7°
OAFCBFCBGCBH117.7°118.7°
OAFCBFCBGHBF124.0°122.6°
OAFCBFCBHHBF123.3°122.5°
OAFCBFCBGCBI102.7°118.7°
OAFCBFCBGHBG139.4°122.5°
OAFCBFCBHHBH12.2°23.8°
HOAFOAFCBFCBG180.0°65.3°
HOAFOAFCBFCBH65.6°180.0°
HOAFOAFCBFHBF56.8°57.4°
OAGCBGCBIOAX156.0°142.6°
OAGCBGCBFCBI117.7°118.6°
OAGCBGCBFHBG124.4°122.6°
OAGCBGCBFCBH132.7°118.6°
OAGCBGCBFHBF108.9°122.7°
OAGCBGCBIHBG123.8°122.7°
OAGCBGCBINBJ82.3°98.6°
OAGCBGCBIHBI39.6°23.7°
HOAGOAGCBGCBF180.0°61.5°
HOAGOAGCBGCBI66.6°176.1°
HOAGOAGCBGHBG56.4°61.1°
CBACAJCALHAJ180.0°179.8°
CAJCBACAKNAW178.3°180.0°
CAJCBACAKCAM0.9°0.5°
CAJCBACAKHAK179.1°179.7°
CBACAJCALCBC0.6°0.2°
CBACAJCALHAL179.5°179.7°
CAJCBANAWCAY41.4°33.2°
CAJCBANAWHNAW138.6°146.8°
CALCAJCBACAK1.0°0.0°
CAJCALCBCHAL180.0°180.0°
CAJCALCBCCAM0.0°0.0°
CALCAJCBANAW179.3°179.9°
CAJCALCBCCBK179.9°180.0°
HAJCAJCBACAK179.0°179.8°
HAJCAJCALCBC179.4°179.9°
HAJCAJCALHAL0.6°0.1°
HAJCAJCBANAW0.7°0.2°
CBACAKCAMHAK180.0°179.2°
CBACAKCAMCBC0.3°0.8°
CBACAKCAMHAM179.7°179.2°
CAKCBANAWCAY136.9°146.8°
CAKCBANAWHNAW43.1°33.3°
CAKCAMCBCCAL0.2°0.5°
CAKCAMCBCHAM180.0°180.0°
CAMCAKCBANAW179.2°179.4°
CAKCAMCBCCBK179.9°179.5°
HAKCAKCAMCBC179.7°180.0°
HAKCAKCAMHAM0.3°0.0°
HAKCAKCBANAW0.8°0.2°
CALCBCCAMCBK179.9°180.0°
CALCBCCAMHAM179.9°179.5°
HALCALCBCCAM180.0°180.0°
HALCALCBCCBK0.1°0.0°
HAMCAMCBCCBK0.0°0.6°
CBBCANNBJHAN180.0°180.0°
CBBCANNBJCBI179.6°180.0°
CANNBJCBIOAX108.6°20.3°
CANNBJCBICBG136.2°95.1°
CANNBJCBIHBI14.6°142.6°
HANCANNBJCBI0.4°0.1°
CAPCAOCAQHAO118.6°120.0°
CAPCAOCAQHAOA118.6°120.0°
CAPCAOHAOHAOA124.0°120.0°
CAOCAPNAUHAP120.8°120.1°
CAOCAPNAUHAPA120.8°120.0°
CAOCAPHAPHAPA117.4°120.0°
CAPCAOCAQNAV109.6°180.0°
CAPCAOCAQHAQ130.3°60.0°
CAPCAOCAQHAQA10.4°60.0°
CAOCAPNAUCAR113.1°180.0°
CAOCAPNAUHNAU7.0°56.0°
CAQCAOHAOHAOA123.9°120.0°
CAQCAOCAPNAU130.2°180.0°
CAQCAOCAPHAP9.4°60.0°
CAQCAOCAPHAPA108.9°60.0°
CAOCAQNAVHAQ120.0°120.0°
CAOCAQNAVHAQA120.1°120.0°
CAOCAQHAQHAQA119.8°120.0°
CAOCAQNAVCAY135.9°180.0°
CAOCAQNAVHNAV44.1°0.0°
HAOCAOCAPNAU11.6°60.0°
HAOCAOCAPHAP109.2°60.0°
HAOCAOCAPHAPA132.5°180.0°
HAOCAOCAQNAV9.0°60.0°
HAOCAOCAQHAQ111.1°180.0°
HAOCAOCAQHAQA129.0°60.0°
HAOACAOCAPNAU111.1°60.0°
HAOACAOCAPHAP128.0°180.0°
HAOACAOCAPHAPA9.7°59.9°
HAOACAOCAQNAV131.7°60.0°
HAOACAOCAQHAQ11.7°60.0°
HAOACAOCAQHAQA108.2°180.0°
NAUCAPHAPHAPA117.5°119.9°
CAPNAUCARCBH112.3°180.0°
CAPNAUCARHNAU120.1°124.0°
CAPNAUCARHAR7.7°60.0°
CAPNAUCARHARA127.7°60.0°
HAPCAPNAUCAR126.1°59.9°
HAPCAPNAUHNAU113.8°176.1°
HAPACAPNAUCAR7.7°60.0°
HAPACAPNAUHNAU127.8°64.0°
NAVCAQHAQHAQA119.8°120.0°
CAQNAVCAYHNAV180.0°180.0°
CAQNAVCAYNAW177.8°180.0°
HAQCAQNAVCAY104.0°60.0°
HAQCAQNAVHNAV76.0°119.9°
HAQACAQNAVCAY15.9°60.0°
HAQACAQNAVHNAV164.2°120.0°
CBHCARNAUHAR120.0°120.0°
CBHCARNAUHARA120.0°120.0°
CBHCARHARHARA119.8°120.0°
CBHCARNAUHNAU7.7°56.0°
CARCBHOAXCBI157.1°159.3°
CARCBHOAXCBF119.7°118.8°
CARCBHOAXHBH122.1°122.3°
CARCBHCBFCBG133.2°142.8°
CARCBHCBFHBH120.5°122.4°
CARCBHCBFHBF14.9°24.0°
NAUCARHARHARA119.8°120.0°
NAUCARCBHOAX81.4°69.7°
NAUCARCBHCBF161.9°175.0°
NAUCARCBHHBH41.3°52.6°
HARCARNAUHNAU127.8°176.0°
HARCARCBHOAX158.5°50.4°
HARCARCBHCBF41.9°64.9°
HARCARCBHHBH78.7°172.7°
HARACARNAUHNAU112.3°64.0°
HARACARCBHOAX38.6°170.3°
HARACARCBHCBF78.0°55.0°
HARACARCBHHBH161.3°67.3°
NAVCAYNAWCBA179.4°174.6°
NAVCAYNAWHNAW0.6°5.3°
HNAVNAVCAYNAW2.2°0.0°
CAYNAWCBAHNAW180.0°179.9°
OAXCBICBGCBF37.7°24.0°
CBIOAXCBHCBF37.5°40.5°
OAXCBICBGNBJ121.6°118.8°
OAXCBICBGHBI116.5°118.9°
OAXCBICBGHBG80.2°94.7°
CBIOAXCBHHBH80.8°78.3°
OAXCBINBJHBI123.2°122.3°
OAXCBHCBFCBG12.7°24.0°
OAXCBHCBFHBH118.9°118.8°
OAXCBHCBFHBF105.6°94.8°
CBHOAXCBICBG47.0°40.6°
CBHOAXCBINBJ168.4°159.3°
CBHOAXCBIHBI68.7°78.3°
CBGCBFCBHHBF118.3°118.8°
CBFCBGCBIHBG117.9°118.7°
CBGCBFCBHHBH106.2°94.8°
CBFCBGCBINBJ159.3°142.8°
CBFCBGCBIHBI78.8°94.9°
CBHCBFCBGCBI15.0°0.0°
CBHCBFCBGHBG102.9°118.8°
HBFCBFCBGCBI133.3°118.7°
HBFCBFCBGHBG15.4°0.1°
HBFCBFCBHHBH135.5°146.3°
CBGCBINBJHBI121.6°122.3°
HBGCBGCBINBJ41.4°24.1°
HBGCBGCBIHBI163.3°146.4°

224201

PDB entries from 2024-08-28

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