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684

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2N1doub1.32Å1.35ÅAromatic
N1C8Asing1.34Å1.34ÅAromatic
N3C2sing1.33Å1.36ÅAromatic
N2C2sing1.38Å1.33Å
N2HN2sing0.97Å1.00Å
N2HN2Asing0.97Å1.00Å
N3C4doub1.32Å1.34ÅAromatic
N4C4sing1.38Å1.35Å
C4C4Asing1.46Å1.42ÅAromatic
N4HN4sing0.97Å1.00Å
N4HN4Asing0.97Å1.00Å
C4AN5doub1.33Å1.33ÅAromatic
N5C6sing1.32Å1.34ÅAromatic
C6C9sing1.51Å1.55Å
C6C7doub1.39Å1.40ÅAromatic
N8C7sing1.32Å1.32ÅAromatic
C7H7sing1.08Å1.08Å
C8AN8doub1.34Å1.35ÅAromatic
C9N10sing1.47Å1.46Å
C9H9sing1.09Å1.10Å
C9H9Asing1.09Å1.10Å
N10CBGsing1.39Å1.33Å
N10CBFsing1.39Å1.36Å
C4AC8Asing1.42Å1.38ÅAromatic
CAXOACdoub1.21Å1.25Å
CAXOADsing1.34Å1.25Å
OADHOADsing0.97Å0.95Å
CAFCAEdoub1.32Å1.40ÅAromatic
CAECAHsing1.47Å1.39ÅAromatic
CAEHAEsing1.08Å1.08Å
CAICAFsing1.47Å1.40ÅAromatic
CAFHAFsing1.08Å1.08Å
CAJCAGdoub1.31Å1.39ÅAromatic
CAGCBAsing1.47Å1.40ÅAromatic
CAGHAGsing1.08Å1.08Å
CBCCAHdoub1.32Å1.39ÅAromatic
CAHHAHsing1.08Å1.08Å
CAICBFdoub1.32Å1.39ÅAromatic
CAIHAIsing1.08Å1.08Å
CAJCBGsing1.48Å1.40ÅAromatic
CAJHAJsing1.08Å1.08Å
CBCCAKsing1.47Å1.39Å
CALCAKdoub1.29Å1.39Å
CAKHAKsing1.08Å1.08Å
CBDCALsing1.47Å1.40Å
CALHALsing1.08Å1.08Å
CBACANdoub1.31Å1.39ÅAromatic
CBDCANsing1.48Å1.40ÅAromatic
CANHANsing1.08Å1.08Å
CAPCAOsing1.53Å1.53Å
CAOCAQsing1.53Å1.53Å
CAOHAOsing1.09Å1.10Å
CAOHAOAsing1.09Å1.10Å
OAWCAPsing1.43Å1.47Å
CAPHAPsing1.09Å1.10Å
CAPHAPAsing1.09Å1.10Å
CAQCAXsing1.51Å1.53Å
CAQHAQsing1.09Å1.10Å
CAQHAQAsing1.09Å1.10Å
CBAOAWsing1.36Å1.37Å
CBFCBCsing1.47Å1.39ÅAromatic
CBGCBDdoub1.31Å1.37ÅAromatic
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1C8A120.2°121.1°
N1C2N3121.0°123.5°
N1C2N2116.8°118.3°
N1C8AN8119.1°121.9°
N1C8AC4A119.8°118.6°
N3C2N2122.2°118.2°
C2N3C4121.4°121.3°
C2N2HN2109.5°119.9°
C2N2HN2A109.5°120.0°
HN2N2HN2A109.4°120.0°
N3C4N4121.1°121.2°
N3C4C4A117.5°117.7°
N4C4C4A121.4°121.1°
C4N4HN4109.5°119.9°
C4N4HN4A109.5°120.0°
C4C4AN5120.8°122.1°
C4C4AC8A120.0°117.8°
HN4N4HN4A109.5°120.1°
C4AN5C6120.6°119.6°
N5C4AC8A119.1°120.0°
N5C6C9117.3°119.7°
N5C6C7119.7°120.6°
C9C6C7123.0°119.7°
C6C9N10116.8°109.5°
C6C9H9107.1°109.4°
C6C9H9A107.1°109.5°
C6C7N8119.7°120.8°
C6C7H7120.2°119.6°
N8C7H7120.2°119.6°
C7N8C8A119.8°119.6°
N8C8AC4A121.1°119.4°
N10C9H9107.1°109.5°
N10C9H9A107.1°109.5°
C9N10CBG117.0°111.0°
C9N10CBF120.9°111.0°
H9C9H9A111.8°109.4°
CBGN10CBF121.7°113.0°
N10CBGCAJ112.3°117.9°
N10CBGCBD126.7°122.3°
N10CBFCAI114.4°119.7°
N10CBFCBC125.5°120.6°
OACCAXOAD126.0°119.9°
OACCAXCAQ115.9°120.0°
CAXOADHOAD109.5°117.1°
OADCAXCAQ117.9°120.0°
CAFCAECAH120.8°119.9°
CAFCAEHAE119.6°120.0°
CAECAFCAI120.3°120.0°
CAECAFHAF119.8°120.0°
CAHCAEHAE119.6°120.1°
CAECAHCBC118.1°120.0°
CAECAHHAH120.9°120.0°
CAICAFHAF119.8°120.0°
CAFCAICBF118.9°120.1°
CAFCAIHAI120.5°119.9°
CAJCAGCBA120.1°119.7°
CAJCAGHAG119.9°120.1°
CAGCAJCBG119.3°120.6°
CAGCAJHAJ120.3°119.7°
CBACAGHAG119.9°120.2°
CAGCBACAN119.8°119.8°
CAGCBAOAW119.3°120.1°
CBCCAHHAH120.9°120.0°
CAHCBCCAK111.9°120.0°
CAHCBCCBF121.7°120.2°
CBFCAIHAI120.5°120.0°
CAICBFCBC120.0°119.8°
CBGCAJHAJ120.3°119.7°
CAJCBGCBD121.0°119.8°
CBCCAKCAL125.0°124.2°
CBCCAKHAK117.5°117.9°
CAKCBCCBF126.4°119.8°
CALCAKHAK117.5°117.9°
CAKCALCBD126.2°126.5°
CAKCALHAL116.9°116.8°
CBDCALHAL116.9°116.8°
CALCBDCAN113.5°117.9°
CALCBDCBG126.6°122.5°
CBACANCBD119.9°120.6°
CBACANHAN120.0°119.7°
CANCBAOAW120.9°120.1°
CBDCANHAN120.1°119.7°
CANCBDCBG119.9°119.5°
CAPCAOCAQ111.0°109.5°
CAPCAOHAO108.9°109.5°
CAPCAOHAOA109.0°109.5°
CAOCAPOAW112.5°109.5°
CAOCAPHAP108.5°109.4°
CAOCAPHAPA108.5°109.4°
CAQCAOHAO109.0°109.5°
CAQCAOHAOA108.9°109.5°
CAOCAQCAX108.9°109.5°
CAOCAQHAQ109.7°109.5°
CAOCAQHAQA109.7°109.4°
HAOCAOHAOA110.0°109.4°
OAWCAPHAP108.5°109.5°
OAWCAPHAPA108.5°109.5°
CAPOAWCBA113.0°117.0°
HAPCAPHAPA110.5°109.4°
CAXCAQHAQ109.7°109.5°
CAXCAQHAQA109.6°109.5°
HAQCAQHAQA109.3°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C2N3N2179.7°179.9°
N1C2N2HN20.0°0.1°
N1C2N2HN2A120.0°180.0°
N1C2N3C42.0°0.1°
C2N1C8AN8179.9°179.9°
C2N1C8AC4A0.3°0.0°
C8AN1C2N31.3°0.0°
C8AN1C2N2179.1°180.0°
N1C8AC4AC41.3°0.1°
N1C8AC4AN5177.7°180.0°
N1C8AN8C7179.3°180.0°
N1C8AN8C4A179.8°179.9°
N3C2N2HN2179.7°180.0°
N3C2N2HN2A59.7°0.1°
C2N3C4N4180.0°180.0°
C2N3C4C4A1.0°0.0°
C2N2HN2HN2A120.0°179.9°
N2C2N3C4178.4°180.0°
N3C4N4C4A178.9°180.0°
N3C4N4HN40.0°0.0°
N3C4N4HN4A120.0°180.0°
N3C4C4AN5177.0°180.0°
N3C4C4AC8A0.6°0.0°
C4N4HN4HN4A120.0°180.0°
N4C4C4AN52.0°0.0°
N4C4C4AC8A178.4°179.9°
C4AC4N4HN4179.0°180.0°
C4AC4N4HN4A58.9°0.0°
C4C4AN5C8A176.5°180.0°
C4C4AN5C6179.9°179.9°
C4C4AC8AN8179.0°180.0°
C4AN5C6C9179.6°180.0°
C4AN5C6C73.3°0.1°
N5C4AC8AN82.5°0.1°
N5C6C9C7177.0°179.9°
N5C6C7N81.7°0.0°
N5C6C7H7178.3°179.9°
N5C6C9N10152.3°84.9°
N5C6C9H932.3°35.1°
N5C6C9H9A87.7°155.0°
C6N5C4AC8A3.7°0.0°
C9C6C7N8178.7°179.9°
C9C6C7H71.3°0.0°
C6C9N10H9120.0°120.0°
C6C9N10H9A120.0°120.1°
C6C9H9H9A117.0°120.0°
C6C9N10CBG55.9°170.0°
C6C9N10CBF131.0°63.4°
C6C7N8H7180.0°180.0°
C6C7N8C8A0.6°0.1°
C7C6C9N1030.7°95.0°
C7C6C9H9150.7°145.0°
C7C6C9H9A89.3°25.1°
C7N8C8AC4A1.0°0.1°
H7C7N8C8A179.4°180.0°
N10C9H9H9A117.0°120.0°
C9N10CBGCBF173.0°125.5°
C9N10CBFCAI41.0°119.3°
C9N10CBGCAJ38.3°121.1°
C9N10CBFCBC140.0°61.1°
C9N10CBGCBD141.9°58.9°
H9C9N10CBG64.0°50.0°
H9C9N10CBF109.1°176.6°
H9AC9N10CBG175.9°70.0°
H9AC9N10CBF11.0°56.6°
N10CBGCAJCAG178.9°179.6°
CBGN10CBFCAI131.7°115.2°
N10CBGCAJCBD179.8°180.0°
N10CBGCAJHAJ1.1°0.4°
N10CBGCBDCAL1.5°0.6°
N10CBGCBDCAN178.7°179.5°
CBGN10CBFCBC47.2°64.4°
N10CBFCAICAF179.7°179.0°
N10CBFCBCCAH179.1°178.8°
N10CBFCAICBC179.0°179.6°
N10CBFCAIHAI0.3°0.9°
CBFN10CBGCAJ134.7°113.4°
N10CBFCBCCAK1.0°1.7°
CBFN10CBGCBD45.0°66.6°
OACCAXOADCAQ174.4°180.0°
OACCAXOADHOAD0.0°0.0°
OACCAXCAQCAO47.1°0.0°
OACCAXCAQHAQ73.0°120.0°
OACCAXCAQHAQA167.0°120.0°
OADCAXCAQCAO127.9°180.0°
OADCAXCAQHAQ112.1°60.0°
OADCAXCAQHAQA7.9°60.0°
HOADOADCAXCAQ174.4°180.0°
CAFCAECAHHAE180.0°179.9°
CAECAFCAIHAF180.0°180.0°
CAFCAECAHCBC0.1°0.2°
CAFCAECAHHAH179.9°179.9°
CAECAFCAICBF0.9°0.0°
CAECAFCAIHAI179.2°179.9°
CAHCAECAFCAI0.4°0.4°
CAHCAECAFHAF179.5°179.6°
CAECAHCBCHAH180.0°180.0°
CAECAHCBCCAK178.5°179.1°
CAECAHCBCCBF0.3°0.5°
HAECAECAFCAI179.5°179.6°
HAECAECAFHAF0.5°0.4°
HAECAECAHCBC179.9°179.9°
HAECAECAHHAH0.1°0.1°
CAFCAICBFHAI180.0°179.9°
CAFCAICBFCBC0.7°0.6°
HAFCAFCAICBF179.1°179.9°
HAFCAFCAIHAI0.8°0.1°
CAJCAGCBAHAG180.0°179.9°
CAGCAJCBGHAJ180.0°180.0°
CAJCAGCBACAN0.9°0.2°
CAJCAGCBAOAW179.2°179.8°
CAGCAJCBGCBD1.3°0.4°
CBACAGCAJCBG0.0°0.0°
CBACAGCAJHAJ180.0°180.0°
CAGCBACANOAW178.3°180.0°
CAGCBACANCBD0.6°0.0°
CAGCBACANHAN179.3°180.0°
CAGCBAOAWCAP158.5°0.0°
HAGCAGCAJCBG180.0°179.9°
HAGCAGCAJHAJ0.0°0.1°
HAGCAGCBACAN179.1°179.9°
HAGCAGCBAOAW0.8°0.2°
CAHCBCCBFCAI0.2°0.8°
CAHCBCCAKCBF178.2°179.5°
CAHCBCCAKCAL151.4°142.5°
CAHCBCCAKHAK28.7°37.5°
HAHCAHCBCCAK1.4°1.0°
HAHCAHCBCCBF179.7°179.5°
CAICBFCBCCAK177.9°178.7°
HAICAICBFCBC179.3°179.5°
CAJCBGCBDCAL178.7°179.4°
CAJCBGCBDCAN1.5°0.6°
HAJCAJCBGCBD178.7°179.6°
CBCCAKCALHAK180.0°179.9°
CBCCAKCALCBD2.9°1.0°
CBCCAKCALHAL177.1°179.0°
CAKCALCBDHAL180.0°180.0°
CAKCALCBDCAN157.8°139.1°
CALCAKCBCCBF26.8°38.0°
CAKCALCBDCBG24.9°40.9°
HAKCAKCALCBD177.1°179.0°
HAKCAKCALHAL2.9°1.0°
HAKCAKCBCCBF153.1°142.1°
CALCBDCANCBA178.1°179.6°
CALCBDCANCBG177.5°180.0°
CALCBDCANHAN1.9°0.4°
HALCALCBDCAN22.2°40.9°
HALCALCBDCBG155.1°139.1°
CBACANCBDHAN180.0°180.0°
CANCBAOAWCAP19.7°180.0°
CBACANCBDCBG0.6°0.4°
CBDCANCBAOAW178.9°180.0°
HANCANCBAOAW1.1°0.0°
HANCANCBDCBG179.4°179.6°
CAPCAOCAQHAO120.0°120.1°
CAPCAOCAQHAOA120.0°120.0°
CAPCAOHAOHAOA119.4°120.0°
CAOCAPOAWHAP120.0°120.0°
CAOCAPOAWHAPA120.0°120.0°
CAOCAPHAPHAPA118.8°119.9°
CAPCAOCAQCAX141.2°180.0°
CAPCAOCAQHAQ21.2°60.0°
CAPCAOCAQHAQA98.8°60.0°
CAOCAPOAWCBA101.0°180.0°
CAQCAOHAOHAOA119.3°120.0°
CAQCAOCAPOAW142.1°180.0°
CAQCAOCAPHAP22.0°60.0°
CAQCAOCAPHAPA98.0°59.9°
CAOCAQCAXHAQ120.0°120.0°
CAOCAQCAXHAQA120.0°120.0°
CAOCAQHAQHAQA120.2°120.0°
HAOCAOCAPOAW22.0°60.0°
HAOCAOCAPHAP98.0°60.1°
HAOCAOCAPHAPA142.0°180.0°
HAOCAOCAQCAX98.8°59.9°
HAOCAOCAQHAQ141.2°179.9°
HAOCAOCAQHAQA21.2°60.1°
HAOACAOCAPOAW98.0°60.0°
HAOACAOCAPHAP142.0°180.0°
HAOACAOCAPHAPA22.0°60.1°
HAOACAOCAQCAX21.2°60.0°
HAOACAOCAQHAQ98.8°60.0°
HAOACAOCAQHAQA141.2°180.0°
OAWCAPHAPHAPA118.8°120.0°
HAPCAPOAWCBA19.0°60.0°
HAPACAPOAWCBA139.0°60.0°
CAXCAQHAQHAQA120.2°120.0°

248942

PDB entries from 2026-02-11

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