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AZJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAJCAIdoub1.38Å1.40ÅAromatic
CAJCALsing1.38Å1.40ÅAromatic
CAICAKsing1.38Å1.40ÅAromatic
CALCBAdoub1.38Å1.40ÅAromatic
CAKCAMdoub1.38Å1.40ÅAromatic
CBACAMsing1.38Å1.40ÅAromatic
CBACATsing1.51Å1.41Å
CATSBGsing1.81Å1.86Å
OAFSBGdoub1.42Å1.54Å
SBGOAGdoub1.42Å1.54Å
SBGNAVsing1.66Å1.66Å
NAVCAXsing1.35Å1.35Å
CAXOADdoub1.21Å1.23Å
CAXCBEsing1.51Å1.53Å
CBECAQsing1.53Å1.57Å
CBECAPsing1.53Å1.54Å
CAQCASsing1.53Å1.54Å
CASNBFsing1.47Å1.49Å
CAPCARsing1.53Å1.53Å
CARNBFsing1.47Å1.50Å
NBFCBDsing1.38Å1.49Å
NACCAHtrip1.14Å1.15Å
CAHCBBsing1.43Å1.44Å
CBDCBBdoub1.41Å1.41ÅAromatic
CBDNAUsing1.33Å1.35ÅAromatic
CBBCANsing1.39Å1.39ÅAromatic
NAUCAZdoub1.32Å1.35ÅAromatic
CANCBCdoub1.40Å1.40ÅAromatic
CAZCBCsing1.40Å1.43ÅAromatic
CAZCABsing1.51Å1.40Å
CBCCAYsing1.48Å1.42Å
CAYOAWsing1.35Å1.37Å
CAYOAEdoub1.21Å1.23Å
CAOOAWsing1.45Å1.44Å
CAOCAAsing1.53Å1.53Å
CAAH1sing1.09Å1.10Å
CAAH2sing1.09Å1.10Å
CAAH3sing1.09Å1.10Å
CABH4sing1.09Å1.10Å
CABH5sing1.09Å1.10Å
CABH6sing1.09Å1.10Å
CAIH7sing1.08Å1.08Å
CAJH8sing1.08Å1.08Å
CAKH9sing1.08Å1.08Å
CALH10sing1.08Å1.08Å
CAMH11sing1.08Å1.08Å
CANH12sing1.08Å1.08Å
CAOH13sing1.09Å1.10Å
CAOH14sing1.09Å1.10Å
CAPH15sing1.09Å1.10Å
CAPH16sing1.09Å1.10Å
CAQH17sing1.09Å1.10Å
CAQH18sing1.09Å1.10Å
CARH19sing1.09Å1.10Å
CARH20sing1.09Å1.10Å
CASH21sing1.09Å1.10Å
CASH22sing1.09Å1.10Å
CATH23sing1.09Å1.10Å
CATH24sing1.09Å1.10Å
NAVH25sing0.97Å1.00Å
CBEH26sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAICAJCAL119.9°120.0°
CAJCAICAK119.8°120.0°
CAJCAIH7120.1°120.0°
CAICAJH8120.1°120.0°
CAJCALCBA120.6°120.0°
CALCAJH8120.1°120.0°
CAJCALH10119.7°120.0°
CAICAKCAM120.3°120.0°
CAKCAIH7120.1°120.0°
CAICAKH9119.9°120.0°
CALCBACAM119.1°120.0°
CALCBACAT119.3°120.0°
CBACALH10119.7°120.0°
CAKCAMCBA120.3°120.0°
CAMCAKH9119.9°120.0°
CAKCAMH11119.8°120.0°
CAMCBACAT121.4°120.0°
CBACAMH11119.8°120.0°
CBACATSBG117.2°109.5°
CBACATH23107.5°109.4°
CBACATH24107.5°109.5°
CATSBGOAF110.7°110.5°
CATSBGOAG108.3°110.5°
CATSBGNAV112.2°104.4°
SBGCATH23107.5°109.5°
SBGCATH24107.5°109.5°
OAFSBGOAG109.2°121.0°
OAFSBGNAV107.9°104.3°
OAGSBGNAV108.5°104.3°
SBGNAVCAX120.8°120.0°
SBGNAVH25119.6°120.0°
NAVCAXOAD125.6°120.0°
NAVCAXCBE112.5°120.0°
CAXNAVH25119.6°120.0°
OADCAXCBE121.7°120.0°
CAXCBECAQ112.1°109.5°
CAXCBECAP108.8°109.5°
CAXCBEH26107.7°109.5°
CAQCBECAP113.1°109.2°
CBECAQCAS110.1°109.3°
CBECAQH17109.3°109.5°
CBECAQH18109.3°109.5°
CAQCBEH26107.3°109.6°
CBECAPCAR109.6°109.3°
CBECAPH15109.4°109.5°
CBECAPH16109.4°109.5°
CAPCBEH26107.6°109.5°
CAQCASNBF109.7°109.5°
CASCAQH17109.3°109.5°
CASCAQH18109.3°109.5°
CAQCASH21109.4°109.5°
CAQCASH22109.4°109.4°
CASNBFCAR111.2°111.2°
CASNBFCBD117.7°111.0°
NBFCASH21109.4°109.4°
NBFCASH22109.4°109.5°
CAPCARNBF111.2°109.5°
CARCAPH15109.4°109.5°
CARCAPH16109.4°109.5°
CAPCARH19109.0°109.4°
CAPCARH20109.0°109.5°
CARNBFCBD114.4°111.0°
NBFCARH19109.0°109.5°
NBFCARH20109.0°109.5°
NBFCBDCBB122.1°119.6°
NBFCBDNAU119.0°119.7°
NACCAHCBB179.2°180.0°
CAHCBBCBD122.0°120.6°
CAHCBBCAN118.5°120.6°
CBBCBDNAU118.5°120.7°
CBDCBBCAN119.5°118.9°
CBDNAUCAZ123.6°122.0°
CBBCANCBC121.5°118.3°
CBBCANH12119.2°120.9°
NAUCAZCBC120.2°121.0°
NAUCAZCAB114.9°119.5°
CANCBCCAZ116.6°119.2°
CANCBCCAY117.9°120.4°
CBCCANH12119.2°120.8°
CBCCAZCAB124.8°119.5°
CAZCBCCAY125.5°120.4°
CAZCABH4109.5°109.4°
CAZCABH5109.5°109.5°
CAZCABH6109.4°109.5°
CBCCAYOAW115.5°120.0°
CBCCAYOAE122.5°120.0°
OAWCAYOAE122.0°120.0°
CAYOAWCAO114.8°117.0°
OAWCAOCAA110.2°109.5°
OAWCAOH13109.3°109.5°
OAWCAOH14109.3°109.5°
CAOCAAH1109.5°109.5°
CAOCAAH2109.5°109.4°
CAOCAAH3109.5°109.5°
CAACAOH13109.3°109.4°
CAACAOH14109.3°109.5°
H1CAAH2109.5°109.5°
H1CAAH3109.4°109.4°
H2CAAH3109.5°109.5°
H4CABH5109.4°109.5°
H4CABH6109.5°109.4°
H5CABH6109.5°109.5°
H13CAOH14109.5°109.5°
H15CAPH16109.5°109.5°
H17CAQH18109.5°109.6°
H19CARH20109.5°109.5°
H21CASH22109.5°109.5°
H23CATH24109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAICAJCALH8180.0°179.9°
CAJCAICAKH7180.0°179.7°
CAICAJCALCBA1.9°0.1°
CAJCAICAKCAM0.1°0.4°
CAJCAICAKH9179.9°179.6°
CAICAJCALH10178.1°180.0°
CALCAJCAICAK0.2°0.1°
CAJCALCBAH10180.0°179.9°
CAJCALCBACAM3.2°0.3°
CAJCALCBACAT177.4°180.0°
CALCAJCAIH7179.8°179.8°
CAICAKCAMH9180.0°180.0°
CAICAKCAMCBA1.3°0.6°
CAKCAICAJH8179.8°180.0°
CAICAKCAMH11178.7°180.0°
CALCBACAMCAK2.9°0.6°
CALCBACAMCAT174.1°179.7°
CALCBACATSBG115.5°90.0°
CBACALCAJH8178.1°180.0°
CALCBACAMH11177.1°180.0°
CALCBACATH23123.4°150.0°
CALCBACATH245.7°30.0°
CAKCAMCBAH11180.0°179.4°
CAKCAMCBACAT177.0°179.7°
CAMCAKCAIH7179.9°180.0°
CAMCBACATSBG70.4°90.3°
CBACAMCAKH9178.7°179.4°
CAMCBACALH10176.8°179.7°
CAMCBACATH2350.7°29.7°
CAMCBACATH24168.5°149.7°
CBACATSBGH23121.1°119.9°
CBACATSBGH24121.1°120.0°
CBACATSBGOAF63.9°68.4°
CBACATSBGOAG176.4°68.3°
CBACATSBGNAV56.7°180.0°
CATCBACALH102.6°0.1°
CATCBACAMH113.0°0.3°
CBACATH23H24116.5°120.0°
CATSBGOAFOAG119.1°131.5°
CATSBGOAFNAV123.1°111.7°
CATSBGOAGNAV122.0°111.7°
CATSBGNAVCAX60.4°65.0°
SBGCATH23H24116.5°120.0°
CATSBGNAVH25119.6°115.0°
OAFSBGOAGNAV117.4°116.8°
OAFSBGNAVCAX177.4°51.1°
OAFSBGCATH23175.0°171.7°
OAFSBGCATH2457.2°51.6°
OAFSBGNAVH252.6°128.9°
OAGSBGNAVCAX59.2°179.0°
OAGSBGCATH2355.3°51.6°
OAGSBGCATH2462.5°171.6°
OAGSBGNAVH25120.8°1.0°
SBGNAVCAXH25180.0°180.0°
SBGNAVCAXOAD1.1°0.0°
SBGNAVCAXCBE177.5°180.0°
NAVSBGCATH2364.4°60.0°
NAVSBGCATH24177.8°60.0°
NAVCAXOADCBE176.2°180.0°
NAVCAXCBECAQ137.7°180.0°
NAVCAXCBECAP96.5°60.3°
NAVCAXCBEH2619.8°59.8°
OADCAXCBECAQ45.7°0.0°
OADCAXCBECAP80.2°119.7°
OADCAXNAVH25179.0°179.9°
OADCAXCBEH26163.5°120.3°
CAXCBECAQCAP123.4°119.9°
CAXCBECAQH26118.1°120.2°
CAXCBECAPH26116.4°120.1°
CAXCBECAQCAS175.0°177.6°
CAXCBECAPCAR176.3°177.6°
CAXCBECAPH1556.2°62.5°
CAXCBECAPH1663.7°57.6°
CAXCBECAQH1764.9°57.7°
CAXCBECAQH1854.9°62.5°
CBECAXNAVH252.5°0.0°
CAQCBECAPH26118.4°120.0°
CBECAQCASH17120.1°119.9°
CBECAQCASH18120.1°120.0°
CBECAQCASNBF55.5°59.2°
CAQCBECAPCAR51.0°57.7°
CAQCBECAPH1569.0°177.6°
CAQCBECAPH16171.1°62.3°
CBECAQH17H18119.7°120.1°
CBECAQCASH2164.6°60.8°
CBECAQCASH22175.5°179.2°
CAPCBECAQCAS51.6°57.6°
CBECAPCARH15120.0°120.0°
CBECAPCARH16120.0°120.0°
CBECAPCARNBF55.4°59.2°
CBECAPH15H16119.9°120.1°
CAPCBECAQH17171.7°62.3°
CAPCBECAQH1868.5°177.6°
CBECAPCARH19175.7°179.2°
CBECAPCARH2064.8°60.9°
CAQCASNBFH21120.0°120.0°
CAQCASNBFH22120.0°120.0°
CAQCASNBFCAR61.7°61.7°
CAQCASNBFCBD163.4°174.2°
CASCAQH17H18119.7°120.1°
CAQCASH21H22119.9°119.9°
CASCAQCBEH2666.9°62.3°
CASNBFCARCAP62.3°61.7°
CASNBFCARCBD136.5°124.1°
CASNBFCBDCBB60.7°116.7°
CASNBFCBDNAU126.3°63.3°
NBFCASCAQH17175.6°60.7°
NBFCASCAQH1864.6°179.1°
CASNBFCARH19177.4°178.3°
CASNBFCARH2058.0°58.3°
NBFCASH21H22119.9°120.0°
CAPCARNBFH19120.3°120.0°
CAPCARNBFH20120.3°120.0°
CAPCARNBFCBD161.2°174.1°
CARCAPH15H16119.9°120.1°
CAPCARH19H20119.2°120.0°
CARCAPCBEH2667.4°62.3°
CARNBFCBDCBB165.8°119.1°
CARNBFCBDNAU7.2°60.9°
NBFCARCAPH1564.6°179.1°
NBFCARCAPH16175.4°60.8°
NBFCARH19H20119.2°120.0°
CARNBFCASH2158.3°58.3°
CARNBFCASH22178.3°178.3°
NBFCBDCBBCAH4.6°0.1°
NBFCBDCBBNAU173.1°179.9°
NBFCBDCBBCAN175.9°180.0°
NBFCBDNAUCAZ176.1°179.7°
CBDNBFCARH1941.0°54.2°
CBDNBFCARH2078.5°65.8°
CBDNBFCASH2176.6°65.8°
CBDNBFCASH2243.4°54.2°
NACCAHCBBCBD3.0°154.8°
NACCAHCBBCAN177.6°25.3°
CAHCBBCBDCAN179.4°179.9°
CAHCBBCBDNAU177.7°180.0°
CAHCBBCANCBC178.9°180.0°
CAHCBBCANH121.1°0.3°
CBBCBDNAUCAZ2.8°0.3°
CBDCBBCANCBC1.6°0.1°
CBDCBBCANH12178.4°179.7°
NAUCBDCBBCAN2.9°0.1°
CBDNAUCAZCBC1.3°0.5°
CBDNAUCAZCAB178.1°179.9°
CBBCANCBCH12180.0°179.7°
CBBCANCBCCAZ0.1°0.3°
CBBCANCBCCAY178.7°179.7°
NAUCAZCBCCAN0.1°0.5°
NAUCAZCBCCAB179.3°179.5°
NAUCAZCBCCAY178.4°179.5°
NAUCAZCABH40.0°96.7°
NAUCAZCABH5120.0°143.3°
NAUCAZCABH6120.0°23.2°
CANCBCCAZCAY178.5°180.0°
CANCBCCAZCAB179.4°180.0°
CANCBCCAYOAW9.4°6.4°
CANCBCCAYOAE171.8°173.7°
CAZCBCCAYOAW172.1°173.6°
CAZCBCCAYOAE6.7°6.3°
CBCCAZCABH4179.3°82.9°
CBCCAZCABH559.4°37.2°
CBCCAZCABH660.7°157.2°
CAZCBCCANH12179.9°180.0°
CABCAZCBCCAY0.9°0.0°
CAZCABH4H5120.0°120.0°
CAZCABH4H6120.0°119.9°
CAZCABH5H6120.0°120.1°
CBCCAYOAWOAE178.8°179.9°
CBCCAYOAWCAO118.8°180.0°
CAYCBCCANH121.3°0.0°
CAYOAWCAOCAA170.6°180.0°
CAYOAWCAOH1350.5°60.0°
CAYOAWCAOH1469.3°60.0°
OAECAYOAWCAO62.4°0.0°
OAWCAOCAAH13120.1°120.0°
OAWCAOCAAH14120.1°120.0°
OAWCAOCAAH1180.0°60.0°
OAWCAOCAAH260.0°180.0°
OAWCAOCAAH360.0°60.0°
OAWCAOH13H14119.7°120.1°
CAOCAAH1H2120.0°120.0°
CAOCAAH1H3120.0°120.0°
CAOCAAH2H3120.0°120.0°
CAACAOH13H14119.7°120.0°
H1CAAH2H3120.0°120.0°
H1CAACAOH1359.9°179.9°
H1CAACAOH1459.9°60.0°
H2CAACAOH13179.9°60.0°
H2CAACAOH1460.1°60.0°
H3CAACAOH1360.1°60.0°
H3CAACAOH14179.9°180.0°
H4CABH5H6120.0°119.9°
H7CAICAJH80.3°0.4°
H7CAICAKH90.1°0.0°
H8CAJCALH101.9°0.1°
H9CAKCAMH111.3°0.0°
H15CAPCARH1955.6°60.9°
H15CAPCARH20175.1°59.1°
H15CAPCBEH26172.6°57.7°
H16CAPCARH1964.3°59.2°
H16CAPCARH2055.2°179.2°
H16CAPCBEH2652.7°177.7°
H17CAQCASH2155.6°179.3°
H17CAQCASH2264.4°59.3°
H17CAQCBEH2653.2°177.9°
H18CAQCASH21175.4°59.2°
H18CAQCASH2255.4°60.8°
H18CAQCBEH26173.0°57.7°

222926

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