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AQU

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C2doub1.32Å1.41ÅAromatic
N1C6sing1.33Å1.35ÅAromatic
C2N3sing1.31Å1.42ÅAromatic
N3C4doub1.34Å1.35ÅAromatic
C4C5sing1.42Å1.40ÅAromatic
C4CAPsing1.40Å1.39ÅAromatic
C5C6doub1.42Å1.40ÅAromatic
C5CAQsing1.40Å1.39ÅAromatic
C6NAYsing1.38Å1.34Å
CAACBKsing1.53Å1.53Å
CABCBKsing1.53Å1.54Å
CACCBKsing1.53Å1.54Å
NADCBAsing1.40Å1.33Å
OAECAZdoub1.22Å1.24Å
CAFCAGsing1.39Å1.39ÅAromatic
CAFCAPdoub1.36Å1.39ÅAromatic
CAGCAQdoub1.36Å1.39ÅAromatic
CAHCAJdoub1.38Å1.40ÅAromatic
CAHCAKsing1.38Å1.40ÅAromatic
CAJCBAsing1.39Å1.40ÅAromatic
CAKCBDdoub1.39Å1.41ÅAromatic
CALCANdoub1.38Å1.39ÅAromatic
CALCBBsing1.39Å1.39ÅAromatic
CAMCAOsing1.38Å1.39ÅAromatic
CAMCBBdoub1.39Å1.39ÅAromatic
CANCBCsing1.39Å1.39ÅAromatic
CAOCBCdoub1.39Å1.40ÅAromatic
CARCBAdoub1.39Å1.40ÅAromatic
CARCBDsing1.39Å1.41ÅAromatic
CASCBEsing1.40Å1.33ÅAromatic
CASCBFdoub1.36Å1.33ÅAromatic
NAVCBEdoub1.31Å1.34ÅAromatic
NAVNBJsing1.40Å1.30ÅAromatic
NAWCAZsing1.35Å1.33Å
NAWCBBsing1.40Å1.32Å
NAXCAZsing1.35Å1.35Å
NAXCBFsing1.39Å1.33Å
NAYCBCsing1.40Å1.33Å
CBDNBJsing1.40Å1.35Å
CBECBKsing1.51Å1.55Å
CBFNBJsing1.36Å1.34ÅAromatic
C2H2sing1.08Å1.08Å
CAAHAAsing1.09Å1.10Å
CAAHAAAsing1.09Å1.10Å
CAAHAABsing1.09Å1.10Å
CABHABsing1.09Å1.10Å
CABHABAsing1.09Å1.10Å
CABHABBsing1.09Å1.10Å
CACHACsing1.09Å1.10Å
CACHACAsing1.09Å1.10Å
CACHACBsing1.09Å1.10Å
NADHNADsing0.97Å1.00Å
NADHNAAsing0.97Å1.00Å
CAFHAFsing1.08Å1.08Å
CAGHAGsing1.08Å1.08Å
CAHHAHsing1.08Å1.08Å
CAJHAJsing1.08Å1.08Å
CAKHAKsing1.08Å1.08Å
CALHALsing1.08Å1.08Å
CAMHAMsing1.08Å1.08Å
CANHANsing1.08Å1.08Å
CAOHAOsing1.08Å1.08Å
CAPHAPsing1.08Å1.08Å
CAQHAQsing1.08Å1.08Å
CARHARsing1.08Å1.08Å
CASHASsing1.08Å1.08Å
NAXHNAXsing0.97Å1.00Å
NAYHNAYsing0.97Å1.00Å
NAWHNAWsing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1C6119.0°121.5°
N1C2N3119.5°123.0°
N1C2H2120.2°118.5°
N1C6C5121.5°118.2°
N1C6NAY124.4°120.9°
C2N3C4120.3°120.5°
N3C2H2120.2°118.5°
N3C4C5120.2°118.7°
N3C4CAP119.8°122.0°
C5C4CAP120.0°119.3°
C4C5C6119.5°118.2°
C4C5CAQ120.9°119.7°
C4CAPCAF119.1°119.6°
C4CAPHAP120.5°120.2°
C6C5CAQ119.6°122.1°
C5C6NAY114.1°121.0°
C5CAQCAG118.7°119.5°
C5CAQHAQ120.6°120.2°
C6NAYCBC121.7°120.0°
C6NAYHNAY119.2°119.9°
CAACBKCAB108.2°109.5°
CAACBKCAC107.9°109.5°
CAACBKCBE111.4°109.5°
CBKCAAHAA109.5°109.5°
CBKCAAHAAA109.4°109.5°
CBKCAAHAAB109.5°109.5°
CABCBKCAC110.2°109.4°
CABCBKCBE107.9°109.5°
CBKCABHAB109.5°109.5°
CBKCABHABA109.5°109.5°
CBKCABHABB109.5°109.4°
CACCBKCBE111.3°109.5°
CBKCACHAC109.5°109.5°
CBKCACHACA109.5°109.4°
CBKCACHACB109.5°109.5°
NADCBACAJ120.6°120.0°
NADCBACAR119.7°120.1°
CBANADHNAD109.5°120.1°
CBANADHNAA109.5°120.0°
OAECAZNAW123.3°120.0°
OAECAZNAX125.6°120.0°
CAGCAFCAP120.7°121.0°
CAFCAGCAQ120.6°120.9°
CAGCAFHAF119.7°119.5°
CAFCAGHAG119.7°119.6°
CAPCAFHAF119.7°119.5°
CAFCAPHAP120.5°120.2°
CAQCAGHAG119.7°119.5°
CAGCAQHAQ120.7°120.3°
CAJCAHCAK120.7°120.2°
CAHCAJCBA119.7°120.0°
CAJCAHHAH119.7°119.9°
CAHCAJHAJ120.1°120.0°
CAHCAKCBD120.0°120.1°
CAKCAHHAH119.6°120.0°
CAHCAKHAK120.0°120.0°
CAJCBACAR119.7°120.0°
CBACAJHAJ120.2°120.0°
CAKCBDCAR118.8°119.9°
CAKCBDNBJ120.8°120.1°
CBDCAKHAK120.0°119.9°
CANCALCBB120.1°120.0°
CALCANCBC119.5°120.0°
CANCALHAL120.0°120.0°
CALCANHAN120.2°120.0°
CALCBBCAM120.5°120.0°
CALCBBNAW120.4°120.0°
CBBCALHAL120.0°119.9°
CAOCAMCBB119.5°120.0°
CAMCAOCBC120.1°120.0°
CAOCAMHAM120.2°119.9°
CAMCAOHAO120.0°120.0°
CAMCBBNAW118.9°120.0°
CBBCAMHAM120.2°120.0°
CANCBCCAO120.3°120.0°
CANCBCNAY118.5°120.0°
CBCCANHAN120.2°120.0°
CAOCBCNAY121.2°120.0°
CBCCAOHAO120.0°120.0°
CBACARCBD121.1°119.8°
CBACARHAR119.5°120.1°
CARCBDNBJ120.4°120.0°
CBDCARHAR119.5°120.1°
CBECASCBF105.2°107.8°
CASCBENAV109.2°108.5°
CASCBECBK125.1°125.7°
CBECASHAS127.4°126.1°
CASCBFNAX126.5°126.3°
CASCBFNBJ110.1°107.5°
CBFCASHAS127.4°126.1°
CBENAVNBJ108.4°108.4°
NAVCBECBK125.6°125.7°
NAVNBJCBD125.5°126.2°
NAVNBJCBF107.0°107.7°
CAZNAWCBB124.3°120.0°
NAWCAZNAX111.2°120.0°
CAZNAWHNAW117.8°120.0°
CBBNAWHNAW117.9°120.0°
CAZNAXCBF124.3°120.0°
CAZNAXHNAX117.9°120.0°
NAXCBFNBJ123.3°126.3°
CBFNAXHNAX117.9°120.0°
CBCNAYHNAY119.2°120.0°
CBDNBJCBF127.5°126.1°
HAACAAHAAA109.5°109.4°
HAACAAHAAB109.5°109.5°
HAAACAAHAAB109.5°109.5°
HABCABHABA109.4°109.6°
HABCABHABB109.4°109.4°
HABACABHABB109.5°109.5°
HACCACHACA109.5°109.4°
HACCACHACB109.5°109.5°
HACACACHACB109.5°109.5°
HNADNADHNAA109.5°119.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C2N3H2180.0°179.9°
N1C2N3C40.1°0.1°
C2N1C6C50.3°0.0°
C2N1C6NAY179.5°180.0°
C6N1C2N30.2°0.1°
N1C6C5C40.2°0.1°
N1C6C5NAY179.3°180.0°
N1C6C5CAQ179.8°180.0°
N1C6NAYCBC20.4°5.7°
C6N1C2H2179.8°180.0°
N1C6NAYHNAY159.6°174.3°
C2N3C4C50.0°0.0°
C2N3C4CAP179.9°180.0°
N3C4C5CAP179.9°180.0°
N3C4C5C60.1°0.0°
N3C4C5CAQ179.7°179.9°
N3C4CAPCAF179.6°180.0°
C4N3C2H2180.0°180.0°
N3C4CAPHAP0.4°0.1°
C4C5C6CAQ179.6°179.9°
C4C5C6NAY179.6°179.9°
C5C4CAPCAF0.3°0.0°
C4C5CAQCAG0.0°0.0°
C5C4CAPHAP179.7°180.0°
C4C5CAQHAQ180.0°180.0°
CAPC4C5C6179.8°179.9°
CAPC4C5CAQ0.3°0.0°
C4CAPCAFCAG0.1°0.1°
C4CAPCAFHAP180.0°180.0°
C4CAPCAFHAF179.8°180.0°
C6C5CAQCAG179.5°179.9°
C5C6NAYCBC160.2°174.3°
C6C5CAQHAQ0.4°0.1°
C5C6NAYHNAY19.8°5.7°
CAQC5C6NAY0.8°0.1°
C5CAQCAGCAF0.2°0.0°
C5CAQCAGHAQ180.0°180.0°
C5CAQCAGHAG179.7°179.9°
C6NAYCBCCAN112.6°33.3°
C6NAYCBCCAO69.3°146.8°
C6NAYCBCHNAY180.0°179.9°
CAACBKCABCAC117.7°120.0°
CAACBKCABCBE120.6°120.0°
CAACBKCACCBE122.5°120.0°
CAACBKCBECAS145.2°75.0°
CAACBKCBENAV36.2°105.0°
CBKCAAHAAHAAA120.0°120.0°
CBKCAAHAAHAAB120.0°120.1°
CBKCAAHAAAHAAB120.0°120.0°
CAACBKCABHAB180.0°59.9°
CAACBKCABHABA60.0°180.0°
CAACBKCABHABB60.0°60.0°
CAACBKCACHAC180.0°60.0°
CAACBKCACHACA60.0°180.0°
CAACBKCACHACB60.0°60.0°
CABCBKCACCBE119.6°120.0°
CABCBKCBECAS96.1°45.0°
CABCBKCBENAV82.5°135.0°
CABCBKCAAHAA180.0°60.0°
CABCBKCAAHAAA60.0°180.0°
CABCBKCAAHAAB60.0°60.0°
CBKCABHABHABA120.0°120.1°
CBKCABHABHABB120.0°119.9°
CBKCABHABAHABB120.0°119.9°
CABCBKCACHAC62.1°180.0°
CABCBKCACHACA177.9°60.0°
CABCBKCACHACB57.9°60.0°
CACCBKCBECAS24.8°165.0°
CACCBKCBENAV156.6°15.0°
CACCBKCAAHAA60.8°180.0°
CACCBKCAAHAAA179.2°60.0°
CACCBKCAAHAAB59.2°60.0°
CACCBKCABHAB62.3°60.1°
CACCBKCABHABA57.7°60.1°
CACCBKCABHABB177.7°180.0°
CBKCACHACHACA120.0°119.9°
CBKCACHACHACB120.0°120.1°
CBKCACHACAHACB120.0°120.0°
NADCBACAJCAH179.6°179.9°
NADCBACAJCAR179.9°180.0°
NADCBACARCBD179.4°180.0°
CBANADHNADHNAA120.0°180.0°
NADCBACAJHAJ0.4°0.0°
NADCBACARHAR0.6°0.0°
OAECAZNAWNAX179.8°180.0°
OAECAZNAWCBB0.3°5.2°
OAECAZNAXCBF0.5°0.0°
OAECAZNAXHNAX179.5°180.0°
OAECAZNAWHNAW179.7°174.8°
CAGCAFCAPHAF180.0°179.9°
CAFCAGCAQHAG180.0°179.9°
CAGCAFCAPHAP179.9°180.0°
CAFCAGCAQHAQ179.8°180.0°
CAPCAFCAGCAQ0.2°0.0°
CAPCAFCAGHAG179.8°179.9°
CAQCAGCAFHAF179.9°180.0°
CAJCAHCAKHAH180.0°179.6°
CAHCAJCBAHAJ180.0°179.9°
CAJCAHCAKCBD0.1°0.1°
CAHCAJCBACAR0.5°0.0°
CAJCAHCAKHAK179.9°179.9°
CAKCAHCAJCBA0.1°0.1°
CAHCAKCBDHAK180.0°180.0°
CAHCAKCBDCAR0.1°0.1°
CAHCAKCBDNBJ179.5°180.0°
CAKCAHCAJHAJ179.9°180.0°
CAJCBACARCBD0.7°0.0°
CAJCBANADHNAD180.0°0.0°
CAJCBANADHNAA60.0°180.0°
CBACAJCAHHAH179.9°179.7°
CAJCBACARHAR179.3°180.0°
CAKCBDCARCBA0.5°0.0°
CAKCBDCARNBJ179.5°179.9°
CAKCBDNBJNAV39.6°145.0°
CAKCBDNBJCBF141.6°35.0°
CBDCAKCAHHAH179.9°179.7°
CAKCBDCARHAR179.5°180.0°
CANCALCBBHAL180.0°179.8°
CANCALCBBCAM1.8°0.1°
CALCANCBCHAN180.0°179.9°
CALCANCBCCAO0.5°0.1°
CANCALCBBNAW177.8°180.0°
CALCANCBCNAY178.6°180.0°
CALCBBCAMCAO1.5°0.0°
CALCBBCAMNAW176.0°180.0°
CBBCALCANCBC0.8°0.1°
CALCBBNAWCAZ67.1°32.9°
CALCBBCAMHAM178.5°180.0°
CBBCALCANHAN179.2°180.0°
CALCBBNAWHNAW112.8°147.2°
CAOCAMCBBHAM180.0°180.0°
CAMCAOCBCCAN0.8°0.1°
CAMCAOCBCHAO180.0°179.9°
CAOCAMCBBNAW177.5°180.0°
CAMCAOCBCNAY178.9°180.0°
CBBCAMCAOCBC0.2°0.0°
CAMCBBNAWCAZ116.8°147.2°
CAMCBBCALHAL178.2°179.7°
CBBCAMCAOHAO179.8°180.0°
CAMCBBNAWHNAW63.2°32.8°
CANCBCCAONAY178.1°179.9°
CBCCANCALHAL179.1°179.7°
CANCBCCAOHAO179.2°180.0°
CANCBCNAYHNAY67.4°146.8°
CBCCAOCAMHAM179.8°180.0°
CAOCBCCANHAN179.5°180.0°
CAOCBCNAYHNAY110.7°33.1°
CBACARCBDHAR180.0°180.0°
CBACARCBDNBJ179.9°180.0°
CARCBANADHNAD0.2°180.0°
CARCBANADHNAA119.9°0.0°
CARCBACAJHAJ179.5°180.0°
CARCBDNBJNAV139.9°35.1°
CARCBDNBJCBF39.0°145.0°
CARCBDCAKHAK179.9°180.0°
CBECASCBFHAS180.0°179.7°
CASCBENAVCBK178.8°180.0°
CASCBENAVNBJ0.5°0.0°
CBECASCBFNAX179.0°180.0°
CBECASCBFNBJ0.8°0.0°
CBFCASCBENAV0.2°0.0°
CASCBFNBJNAV1.1°0.0°
CASCBFNAXCAZ28.4°0.0°
CASCBFNAXNBJ178.0°180.0°
CASCBFNBJCBD179.9°180.0°
CBFCASCBECBK178.6°180.0°
CASCBFNAXHNAX151.6°180.0°
CBENAVNBJCBD180.0°180.0°
CBENAVNBJCBF0.9°0.0°
NAVCBECASHAS179.8°179.7°
NAVNBJCBFNAX179.4°180.0°
NAVNBJCBDCBF178.8°180.0°
NBJNAVCBECBK179.2°180.0°
CAZNAWCBBHNAW180.0°179.9°
NAWCAZNAXCBF179.8°180.0°
NAWCAZNAXHNAX0.3°0.0°
CBBNAWCAZNAX179.5°174.8°
NAWCBBCALHAL2.2°0.2°
NAWCBBCAMHAM2.5°0.1°
CAZNAXCBFHNAX180.0°180.0°
CAZNAXCBFNBJ153.6°180.0°
NAXCAZNAWHNAW0.5°5.2°
NAXCBFNBJCBD1.6°0.0°
NAXCBFCASHAS1.0°0.3°
NAYCBCCANHAN1.4°0.1°
NAYCBCCAOHAO1.1°0.1°
NBJCBDCAKHAK0.4°0.0°
NBJCBDCARHAR0.1°0.0°
CBECBKCAAHAA61.6°60.0°
CBECBKCAAHAAA58.4°60.0°
CBECBKCAAHAAB178.4°180.0°
CBECBKCABHAB59.4°180.0°
CBECBKCABHABA179.4°59.9°
CBECBKCABHABB60.6°60.0°
CBECBKCACHAC57.5°60.0°
CBECBKCACHACA62.5°60.0°
CBECBKCACHACB177.6°180.0°
CBKCBECASHAS1.4°0.3°
NBJCBFCASHAS179.2°179.7°
NBJCBFNAXHNAX26.4°0.0°
HAACAAHAAAHAAB120.0°120.0°
HABCABHABAHABB120.0°120.0°
HACCACHACAHACB120.0°120.0°
HAFCAFCAGHAG0.2°0.1°
HAFCAFCAPHAP0.1°0.0°
HAGCAGCAQHAQ0.2°0.1°
HAHCAHCAJHAJ0.1°0.3°
HAHCAHCAKHAK0.1°0.3°
HALCALCANHAN0.8°0.2°
HAMCAMCAOHAO0.2°0.1°

222415

PDB entries from 2024-07-10

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