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AYQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAAHAAsing1.09Å1.10Å
CAAHAAAsing1.09Å1.10Å
OAJCBDdoub1.21Å1.23Å
OAMPBLdoub1.48Å1.61Å
OAKPBLsing1.61Å1.48Å
OAKHOAKsing0.97Å0.95Å
OALHOALsing0.97Å0.95Å
CANCAPsing1.38Å1.39ÅAromatic
CANHANsing1.08Å1.08Å
CAOCAQdoub1.38Å1.39ÅAromatic
CAOCBEsing1.39Å1.39ÅAromatic
CAOHAOsing1.08Å1.08Å
CAPHAPsing1.08Å1.08Å
CAQCBFsing1.38Å1.39ÅAromatic
CAQHAQsing1.08Å1.08Å
NAUCAAsing1.46Å1.47Å
NAUCBCsing1.35Å1.33Å
OAXCBEsing1.36Å1.36Å
OAXPBLsing1.61Å1.61Å
CBCOAIdoub1.21Å1.23Å
CBECANdoub1.39Å1.39ÅAromatic
CBFCAPdoub1.38Å1.39ÅAromatic
CBFCBKsing1.51Å1.53Å
CBICBCsing1.51Å1.53Å
CBICBJsing1.53Å1.53Å
CBIHBIsing1.09Å1.10Å
CBJCBDsing1.51Å1.53Å
CBJHBJsing1.09Å1.10Å
CBKCBIsing1.53Å1.53Å
CBKCBJsing1.53Å1.53Å
CBKHBKsing1.09Å1.10Å
PBLOALsing1.61Å1.61Å
CAAH28sing1.09Å1.10Å
NAUH29sing0.97Å1.00Å
NCAsing1.47Å1.47Å
NHNsing0.97Å1.00Å
CACsing1.51Å1.53Å
CACBsing1.53Å1.53Å
CAHAsing1.09Å1.10Å
COdoub1.21Å1.23Å
CBCGsing1.53Å1.53Å
CBHBsing1.09Å1.10Å
CBHBAsing1.09Å1.10Å
CGCDsing1.51Å1.53Å
CGHGsing1.09Å1.10Å
CGHGAsing1.09Å1.10Å
CDOE1doub1.21Å1.23Å
CDNE2sing1.35Å1.33Å
NE2HNE2sing0.97Å1.00Å
NE2HNEAsing0.97Å1.00Å
NAVCBHsing1.46Å1.47Å
NAVHNAVsing0.97Å1.00Å
CBHCBAsing1.51Å1.53Å
CBHCATsing1.53Å1.53Å
CBHHBHsing1.09Å1.10Å
CBAOAGdoub1.21Å1.23Å
CATCAZsing1.51Å1.53Å
CATHATsing1.09Å1.10Å
CATHATAsing1.09Å1.10Å
CAZOAFdoub1.21Å1.23Å
CAZNACsing1.35Å1.33Å
NACHNACsing0.97Å1.00Å
NACHNAAsing0.97Å1.00Å
NADHNADsing0.97Å1.00Å
NADHNABsing0.97Å1.00Å
CBDNsing1.35Å1.33Å
CNAVsing1.35Å1.33Å
CBANADsing1.35Å1.33Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
HAACAAHAAA109.5°109.5°
HAACAANAU109.5°109.5°
HAACAAH28109.5°109.4°
HAAACAANAU109.4°109.5°
HAAACAAH28109.5°109.4°
OAJCBDCBJ121.3°120.0°
OAJCBDN123.8°120.0°
OAMPBLOAK122.0°109.5°
OAMPBLOAX94.8°109.4°
OAMPBLOAL112.3°109.5°
PBLOAKHOAK109.5°114.0°
OAKPBLOAX99.1°109.5°
OAKPBLOAL121.6°109.5°
HOALOALPBL109.5°113.9°
CAPCANHAN119.8°120.0°
CANCAPHAP119.9°120.0°
CAPCANCBE120.4°120.0°
CANCAPCBF120.2°120.0°
HANCANCBE119.8°120.0°
CAQCAOCBE120.3°120.0°
CAQCAOHAO119.9°120.0°
CAOCAQCBF120.4°120.0°
CAOCAQHAQ119.8°120.0°
CBECAOHAO119.9°120.1°
CAOCBEOAX119.4°120.1°
CAOCBECAN119.3°119.9°
HAPCAPCBF119.9°120.0°
CBFCAQHAQ119.8°120.0°
CAQCBFCAP119.3°120.2°
CAQCBFCBK119.5°120.0°
CAANAUCBC117.7°120.0°
NAUCAAH28109.5°109.5°
CAANAUH29121.2°120.0°
NAUCBCOAI124.1°120.0°
NAUCBCCBI114.3°120.0°
CBCNAUH29121.1°120.0°
CBEOAXPBL114.8°114.0°
OAXCBECAN121.1°120.1°
OAXPBLOAL96.1°109.5°
OAICBCCBI121.5°120.0°
CAPCBFCBK120.8°119.9°
CBFCBKCBI118.5°117.5°
CBFCBKCBJ115.1°117.5°
CBFCBKHBK93.8°115.6°
CBCCBICBJ116.5°117.5°
CBCCBIHBI92.7°115.6°
CBCCBICBK118.9°117.5°
CBJCBIHBI136.1°117.5°
CBICBJCBD114.2°117.5°
CBICBJHBJ136.1°117.5°
CBJCBICBK60.0°60.0°
CBICBJCBK60.1°60.0°
HBICBICBK134.0°117.5°
CBDCBJHBJ95.4°115.5°
CBDCBJCBK116.7°117.5°
CBJCBDN114.9°120.0°
HBJCBJCBK134.0°117.5°
CBICBKCBJ59.9°60.0°
CBICBKHBK133.6°117.5°
CBJCBKHBK136.6°117.5°
CANHN118.6°120.0°
NCAC113.5°109.5°
NCACB109.9°109.5°
NCAHA106.3°109.5°
CANCBD122.8°120.0°
HNNCBD118.6°120.0°
CCACB109.3°109.5°
CCAHA107.0°109.5°
CACO120.2°120.0°
CACNAV116.4°120.0°
CBCAHA110.8°109.5°
CACBCG112.0°109.5°
CACBHB108.6°109.5°
CACBHBA108.7°109.5°
OCNAV123.4°120.0°
CGCBHB108.7°109.5°
CGCBHBA108.6°109.5°
CBCGCD111.9°109.5°
CBCGHG108.7°109.5°
CBCGHGA108.6°109.4°
HBCBHBA110.3°109.5°
CDCGHG108.7°109.5°
CDCGHGA108.7°109.5°
CGCDOE1120.5°120.0°
CGCDNE2115.5°120.0°
HGCGHGA110.3°109.5°
OE1CDNE2124.0°120.0°
CDNE2HNE2120.0°120.0°
CDNE2HNEA120.0°120.0°
HNE2NE2HNEA120.0°120.0°
CBHNAVHNAV119.9°120.0°
NAVCBHCBA111.7°109.5°
NAVCBHCAT109.3°109.4°
NAVCBHHBH108.1°109.5°
CBHNAVC120.1°120.0°
HNAVNAVC119.9°119.9°
CBACBHCAT109.6°109.5°
CBACBHHBH107.8°109.5°
CBHCBAOAG120.6°120.0°
CBHCBANAD115.3°120.0°
CATCBHHBH110.3°109.4°
CBHCATCAZ110.9°109.5°
CBHCATHAT109.0°109.5°
CBHCATHATA109.0°109.4°
OAGCBANAD124.1°120.0°
CAZCATHAT109.0°109.5°
CAZCATHATA109.0°109.5°
CATCAZOAF121.1°120.1°
CATCAZNAC114.9°120.0°
HATCATHATA109.9°109.4°
OAFCAZNAC124.0°119.9°
CAZNACHNAC120.0°120.0°
CAZNACHNAA120.0°120.0°
HNACNACHNAA120.0°120.0°
HNADNADHNAB120.0°120.0°
HNADNADCBA120.0°120.0°
HNABNADCBA120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
HAACAAHAAANAU120.0°120.0°
HAACAAHAAAH28120.0°119.9°
HAACAANAUH28120.0°120.0°
HAACAANAUCBC180.0°180.0°
HAACAANAUH290.0°0.0°
HAAACAANAUH28120.0°120.0°
HAAACAANAUCBC60.0°60.0°
HAAACAANAUH29120.0°120.0°
OAJCBDCBJCBI28.5°68.6°
OAJCBDCBJN179.4°180.0°
OAJCBDCBJHBJ175.2°145.7°
OAJCBDCBJCBK38.8°0.0°
OAJCBDNCA3.2°0.0°
OAJCBDNHN176.8°180.0°
OAMPBLOAKOAX101.5°119.9°
OAMPBLOAKOAL155.5°120.0°
OAMPBLOAKHOAK0.0°180.0°
OAMPBLOALHOAL0.0°60.0°
OAMPBLOAXCBE46.0°55.0°
OAMPBLOAXOAL113.1°120.0°
OAKPBLOALHOAL157.7°60.0°
OAKPBLOAXCBE169.6°65.0°
OAKPBLOAXOAL123.4°120.1°
HOAKOAKPBLOAX101.5°60.0°
HOAKOAKPBLOAL155.5°60.0°
HOALOALPBLOAX97.7°180.0°
CAPCANHANCBE180.0°179.7°
CAPCANCBECAO1.2°0.1°
CANCAPHAPCBF180.0°180.0°
CANCAPCBFCAQ0.9°0.0°
CAPCANCBEOAX172.6°180.0°
CANCAPCBFCBK172.7°179.4°
HANCANCBECAO178.8°179.8°
HANCANCAPHAP0.3°0.0°
HANCANCBEOAX7.4°0.2°
HANCANCAPCBF179.8°180.0°
CAQCAOCBEHAO180.0°179.3°
CAOCAQCBFHAQ180.0°179.1°
CAQCAOCBEOAX172.9°179.5°
CAQCAOCBECAN1.1°0.5°
CAOCAQCBFCAP1.0°0.6°
CAOCAQCBFCBK172.6°180.0°
CBECAOCAQCBF0.0°0.8°
CBECAOCAQHAQ180.0°179.9°
CAOCBEOAXCAN173.8°180.0°
CAOCBEOAXPBL113.5°90.0°
HAOCAOCAQCBF180.0°179.9°
HAOCAOCAQHAQ0.0°0.8°
HAOCAOCBEOAX7.1°0.2°
HAOCAOCBECAN178.9°179.8°
HAPCAPCBFCAQ179.2°180.0°
HAPCAPCANCBE179.7°179.7°
HAPCAPCBFCBK7.3°0.6°
CAQCBFCAPCBK173.5°179.4°
CAQCBFCBKCBI112.3°66.6°
CAQCBFCBKCBJ44.4°2.0°
CAQCBFCBKHBK102.3°147.8°
HAQCAQCBFCAP179.0°179.7°
HAQCAQCBFCBK7.4°1.0°
CAANAUCBCH29180.0°180.0°
CAANAUCBCOAI12.2°0.0°
CAANAUCBCCBI165.0°180.0°
NAUCBCOAICBI177.0°179.9°
NAUCBCCBICBJ162.7°62.0°
NAUCBCCBIHBI16.6°83.6°
NAUCBCCBICBK128.6°130.6°
CBCNAUCAAH2860.0°60.0°
CBEOAXPBLOAL67.1°175.0°
PBLOAXCBECAN72.6°90.0°
OAICBCCBICBJ14.6°118.1°
OAICBCCBIHBI160.7°96.3°
OAICBCCBICBK54.1°49.5°
OAICBCNAUH29167.8°179.9°
CBECANCAPCBF0.3°0.3°
CAPCBFCBKCBI74.2°114.1°
CAPCBFCBKCBJ142.1°177.3°
CAPCBFCBKHBK71.2°31.6°
CBFCBKCBICBC1.6°0.0°
CBFCBKCBJCBI109.7°107.5°
CBFCBKCBIHBI129.1°145.1°
CBFCBKCBJCBD146.3°145.0°
CBFCBKCBJHBJ17.2°0.0°
CBFCBKCBIHBK128.5°145.0°
CBFCBKCBJHBK127.1°145.1°
CBCCBICBJHBI126.5°145.0°
CBCCBICBJCBK109.7°107.5°
CBCCBIHBICBK136.0°145.7°
CBCCBICBJCBD142.2°145.0°
CBCCBICBJHBJ14.3°0.0°
CBCCBICBKHBK127.0°145.1°
CBICBCNAUH2915.0°0.0°
CBJCBIHBICBK90.1°68.6°
CBICBJCBDHBJ146.7°145.7°
CBICBJCBDCBK67.3°68.6°
CBICBJHBJCBK90.3°68.6°
CBJCBICBKHBK127.4°107.5°
CBICBJCBDN152.1°111.4°
HBICBICBJCBD15.8°0.0°
HBICBICBJHBJ112.2°145.0°
HBICBICBKHBK0.6°0.0°
CBDCBJHBJCBK135.9°145.7°
CBDCBJCBKHBK19.3°0.0°
CBJCBDNCA177.4°180.0°
CBJCBDNHN2.6°0.0°
HBJCBJCBKHBK109.9°145.0°
HBJCBJCBDN5.4°34.3°
CBKCBJCBDN140.6°180.0°
H28CAANAUH29120.0°120.0°
CANHNCBD180.0°180.0°
NCACCB123.1°120.0°
NCACHA116.9°120.0°
NCACBHA117.2°120.0°
NCACO142.2°0.0°
NCACBCG57.9°65.0°
NCACBHB62.1°55.0°
NCACBHBA177.9°175.0°
NCACNAV38.2°180.0°
HNNCAC132.2°25.0°
HNNCACB9.5°95.0°
HNNCAHA110.4°145.0°
CCACBHA117.7°120.0°
CACONAV179.6°180.0°
CCACBCG176.9°175.0°
CCACBHB63.1°65.0°
CCACBHBA56.9°55.0°
CACNAVCBH178.4°180.0°
CACNAVHNAV1.6°0.0°
CCANCBD47.8°155.0°
CBCACO94.7°120.0°
CACBCGHB120.0°120.0°
CACBCGHBA120.0°120.0°
CACBHBHBA119.0°120.0°
CACBCGCD58.9°180.0°
CACBCGHG61.1°59.9°
CACBCGHGA178.9°60.0°
CBCANCBD170.5°85.0°
CBCACNAV84.9°60.0°
HACACO25.3°120.0°
HACACBCG59.3°55.0°
HACACBHB179.3°175.0°
HACACBHBA60.7°65.0°
HACANCBD69.6°35.0°
HACACNAV155.1°60.0°
OCNAVCBH1.2°0.0°
OCNAVHNAV178.8°180.0°
CGCBHBHBA119.0°120.0°
CBCGCDHG120.0°120.1°
CBCGCDHGA120.0°119.9°
CBCGHGHGA119.0°120.0°
CBCGCDOE1141.0°0.0°
CBCGCDNE238.9°180.0°
HBCBCGCD178.9°60.0°
HBCBCGHG58.9°180.0°
HBCBCGHGA61.1°60.0°
HBACBCGCD61.1°60.0°
HBACBCGHG178.9°60.1°
HBACBCGHGA58.9°180.0°
CDCGHGHGA119.0°120.0°
CGCDOE1NE2179.9°180.0°
CGCDNE2HNE2180.0°0.1°
CGCDNE2HNEA0.1°180.0°
HGCGCDOE121.0°120.0°
HGCGCDNE2158.9°59.9°
HGACGCDOE199.0°119.9°
HGACGCDNE281.1°60.1°
OE1CDNE2HNE20.0°179.9°
OE1CDNE2HNEA180.0°0.0°
CDNE2HNE2HNEA180.0°179.9°
CBHNAVHNAVC180.0°180.0°
NAVCBHCBACAT121.3°120.0°
NAVCBHCBAHBH118.6°120.0°
NAVCBHCATHBH118.7°120.0°
NAVCBHCBAOAG156.0°0.1°
NAVCBHCATCAZ61.8°65.0°
NAVCBHCATHAT178.1°55.0°
NAVCBHCATHATA58.2°175.0°
NAVCBHCBANAD24.9°180.0°
HNAVNAVCBHCBA65.3°95.0°
HNAVNAVCBHCAT56.1°25.0°
HNAVNAVCBHHBH176.2°144.9°
CBACBHCATHBH118.6°120.0°
CBHCBAOAGNAD178.9°179.9°
CBACBHCATCAZ60.9°175.0°
CBACBHCATHAT59.2°65.0°
CBACBHCATHATA179.1°55.0°
CBHCBANADHNAD179.0°0.1°
CBHCBANADHNAB1.0°180.0°
CBACBHNAVC114.7°85.0°
CATCBHCBAOAG34.8°120.0°
CBHCATCAZHAT120.0°120.0°
CBHCATCAZHATA120.0°120.0°
CBHCATHATHATA119.4°120.0°
CBHCATCAZOAF20.5°0.0°
CBHCATCAZNAC159.6°180.0°
CATCBHNAVC123.9°155.0°
CATCBHCBANAD146.2°60.0°
HBHCBHCBAOAG85.3°120.0°
HBHCBHCATCAZ179.4°55.0°
HBHCBHCATHAT59.4°175.0°
HBHCBHCATHATA60.6°65.1°
HBHCBHNAVC3.7°35.0°
HBHCBHCBANAD93.7°59.9°
OAGCBANADHNAD0.0°180.0°
OAGCBANADHNAB180.0°0.1°
CAZCATHATHATA119.4°120.0°
CATCAZOAFNAC179.9°180.0°
CATCAZNACHNAC179.9°0.0°
CATCAZNACHNAA0.1°180.0°
HATCATCAZOAF140.5°120.0°
HATCATCAZNAC39.6°60.0°
HATACATCAZOAF99.5°120.0°
HATACATCAZNAC80.4°60.0°
OAFCAZNACHNAC0.0°179.9°
OAFCAZNACHNAA180.0°0.0°
CAZNACHNACHNAA180.0°180.0°
HNADNADHNABCBA180.0°179.9°

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