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QOZ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAECAGdoub1.38Å1.38ÅAromatic
CAECAHsing1.38Å1.38ÅAromatic
CAGCAKsing1.38Å1.39ÅAromatic
CAHCALdoub1.38Å1.38ÅAromatic
CAKCBAdoub1.38Å1.39ÅAromatic
CATCAVsing1.53Å1.51Å
CATNsing1.47Å1.46Å
CAVNBFsing1.47Å1.47Å
CALCBAsing1.38Å1.39ÅAromatic
CANsing1.47Å1.46Å
CACsing1.51Å1.52Å
CBACBDsing1.51Å1.52Å
NCASsing1.47Å1.46Å
CNAXsing1.35Å1.35Å
COdoub1.21Å1.23Å
NBFCBDsing1.47Å1.48Å
NBFCAUsing1.47Å1.47Å
CBDCBBsing1.51Å1.52Å
NAXCAZsing1.40Å1.41Å
CASCAUsing1.53Å1.51Å
CAZCAPdoub1.39Å1.39ÅAromatic
CAZCAOsing1.39Å1.39ÅAromatic
CAPCARsing1.38Å1.38ÅAromatic
CAOCAQdoub1.38Å1.39ÅAromatic
CBBCANdoub1.38Å1.39ÅAromatic
CBBCAMsing1.38Å1.39ÅAromatic
CARCBCdoub1.38Å1.39ÅAromatic
CANCAJsing1.38Å1.39ÅAromatic
CAQCBCsing1.38Å1.38ÅAromatic
CAMCAIdoub1.38Å1.39ÅAromatic
CBCSBGsing1.76Å1.76Å
NAASBGsing1.66Å1.60Å
OADSBGdoub1.42Å1.43Å
SBGOACdoub1.42Å1.43Å
CAJCAFdoub1.38Å1.38ÅAromatic
CAICAFsing1.38Å1.38ÅAromatic
CAOH1sing1.08Å1.08Å
CAQH2sing1.08Å1.08Å
CARH3sing1.08Å1.08Å
CAPH4sing1.08Å1.08Å
NAXH5sing0.97Å1.00Å
CAH6sing1.09Å1.10Å
CAH7sing1.09Å1.10Å
CATH9sing1.09Å1.10Å
CATH10sing1.09Å1.10Å
CAVH11sing1.09Å1.10Å
CAVH12sing1.09Å1.10Å
CASH13sing1.09Å1.10Å
CASH14sing1.09Å1.10Å
CAUH15sing1.09Å1.10Å
CAUH16sing1.09Å1.10Å
CBDH18sing1.09Å1.10Å
CAMH19sing1.08Å1.08Å
CAIH20sing1.08Å1.08Å
CAFH21sing1.08Å1.08Å
CAJH22sing1.08Å1.08Å
CANH23sing1.08Å1.08Å
CAKH24sing1.08Å1.08Å
CAGH25sing1.08Å1.08Å
CAEH26sing1.08Å1.08Å
CAHH27sing1.08Å1.08Å
CALH28sing1.08Å1.08Å
NAAH29sing0.97Å1.00Å
NAAH30sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAGCAECAH120.0°120.0°
CAECAGCAK120.2°120.0°
CAECAGH25119.9°120.0°
CAGCAEH26120.0°120.0°
CAECAHCAL119.8°120.0°
CAHCAEH26120.0°120.0°
CAECAHH27120.1°120.0°
CAGCAKCBA120.4°120.0°
CAGCAKH24119.8°120.0°
CAKCAGH25119.9°120.0°
CAHCALCBA120.8°120.0°
CALCAHH27120.1°120.0°
CAHCALH28119.6°120.0°
CAKCBACAL118.7°120.0°
CAKCBACBD120.5°120.0°
CBACAKH24119.8°120.0°
CAVCATN110.3°109.4°
CATCAVNBF111.6°109.4°
CAVCATH9109.3°109.5°
CAVCATH10109.3°109.5°
CATCAVH11109.0°109.5°
CATCAVH12108.9°109.5°
CATNCA111.0°111.0°
CATNCAS107.7°110.8°
NCATH9109.2°109.5°
NCATH10109.3°109.5°
CAVNBFCBD110.4°111.0°
CAVNBFCAU111.1°110.8°
NBFCAVH11108.9°109.5°
NBFCAVH12109.0°109.5°
CALCBACBD120.6°120.0°
CBACALH28119.6°120.0°
NCAC113.8°109.5°
CANCAS111.7°111.0°
NCAH6108.4°109.5°
NCAH7108.4°109.4°
CACNAX113.2°120.0°
CACO122.5°120.0°
CCAH6108.4°109.5°
CCAH7108.4°109.5°
CBACBDNBF110.9°109.5°
CBACBDCBB111.7°109.5°
CBACBDH18107.5°109.4°
NCASCAU110.1°109.4°
NCASH13109.3°109.5°
NCASH14109.3°109.5°
NAXCO124.2°120.0°
CNAXCAZ127.7°120.0°
CNAXH5116.1°120.0°
CBDNBFCAU110.5°111.0°
NBFCBDCBB111.1°109.4°
NBFCBDH18108.0°109.5°
NBFCAUCAS111.8°109.4°
NBFCAUH15108.9°109.5°
NBFCAUH16108.9°109.5°
CBDCBBCAN119.8°120.0°
CBDCBBCAM121.6°120.0°
CBBCBDH18107.5°109.4°
NAXCAZCAP119.1°120.1°
NAXCAZCAO121.2°120.0°
CAZNAXH5116.1°120.0°
CAUCASH13109.3°109.5°
CAUCASH14109.3°109.5°
CASCAUH15108.9°109.5°
CASCAUH16108.9°109.5°
CAPCAZCAO119.6°119.9°
CAZCAPCAR120.3°119.9°
CAZCAPH4119.8°120.0°
CAZCAOCAQ120.3°119.9°
CAZCAOH1119.8°120.1°
CAPCARCBC119.5°120.1°
CAPCARH3120.3°119.9°
CARCAPH4119.9°120.1°
CAOCAQCBC119.4°120.1°
CAQCAOH1119.8°120.0°
CAOCAQH2120.3°120.0°
CANCBBCAM118.6°120.0°
CBBCANCAJ120.9°120.0°
CBBCANH23119.5°120.0°
CBBCAMCAI120.4°120.0°
CBBCAMH19119.8°120.0°
CARCBCCAQ120.8°120.1°
CARCBCSBG118.6°119.9°
CBCCARH3120.2°120.0°
CANCAJCAF120.0°120.0°
CANCAJH22120.0°120.0°
CAJCANH23119.6°120.0°
CAQCBCSBG120.7°120.0°
CBCCAQH2120.3°119.9°
CAMCAICAF120.3°120.0°
CAICAMH19119.8°120.0°
CAMCAIH20119.8°120.0°
CBCSBGNAA108.2°107.2°
CBCSBGOAD106.3°106.4°
CBCSBGOAC106.4°106.4°
NAASBGOAD109.0°106.4°
NAASBGOAC108.7°106.4°
SBGNAAH29109.5°120.0°
SBGNAAH30109.5°120.0°
OADSBGOAC117.9°123.2°
CAJCAFCAI119.8°120.0°
CAJCAFH21120.1°120.0°
CAFCAJH22120.0°119.9°
CAFCAIH20119.8°120.0°
CAICAFH21120.1°120.0°
H6CAH7109.5°109.5°
H9CATH10109.5°109.5°
H11CAVH12109.5°109.5°
H13CASH14109.5°109.5°
H15CAUH16109.5°109.5°
H29NAAH30109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAGCAECAHH26180.0°180.0°
CAECAGCAKH25180.0°180.0°
CAGCAECAHCAL0.2°0.2°
CAECAGCAKCBA1.4°0.0°
CAECAGCAKH24178.6°180.0°
CAGCAECAHH27179.8°180.0°
CAHCAECAGCAK1.4°0.0°
CAECAHCALH27180.0°179.8°
CAECAHCALCBA1.0°0.6°
CAHCAECAGH25178.6°180.0°
CAECAHCALH28179.0°180.0°
CAGCAKCBAH24180.0°180.0°
CAGCAKCBACAL0.3°0.3°
CAGCAKCBACBD176.4°180.0°
CAKCAGCAEH26178.6°180.0°
CAHCALCBACAK0.9°0.6°
CAHCALCBAH28180.0°179.4°
CAHCALCBACBD175.2°179.7°
CALCAHCAEH26179.8°179.7°
CAKCBACALCBD176.1°179.7°
CAKCBACBDNBF136.7°136.6°
CAKCBACBDCBB98.8°103.4°
CAKCBACBDH1818.8°16.6°
CBACAKCAGH25178.6°179.9°
CAKCBACALH28179.0°180.0°
CAVCATNH9120.1°119.9°
CAVCATNH10120.1°120.0°
CATCAVNBFH11120.3°120.0°
CATCAVNBFH12120.3°119.9°
CAVCATNCA175.2°176.8°
CAVCATNCAS62.2°59.4°
CATCAVNBFCBD174.8°176.8°
CATCAVNBFCAU51.9°59.4°
CAVCATH9H10119.6°120.1°
CATCAVH11H12119.0°120.0°
NCATCAVNBF58.0°58.5°
CATNCACAS120.3°123.8°
CATNCAC178.9°66.2°
CATNCASCAU61.9°59.4°
CATNCAH658.2°53.8°
CATNCAH760.5°173.8°
NCATH9H10119.6°120.1°
NCATCAVH1162.3°61.6°
NCATCAVH12178.3°178.4°
CATNCASH1358.1°60.6°
CATNCASH14177.9°179.3°
CAVNBFCBDCBA53.0°179.1°
CAVNBFCBDCAU123.3°123.8°
CAVNBFCBDCBB177.8°60.9°
CAVNBFCAUCAS51.9°59.4°
NBFCAVCATH962.1°178.4°
NBFCAVCATH10178.1°61.5°
NBFCAVH11H12119.0°120.0°
CAVNBFCAUH1568.5°179.3°
CAVNBFCAUH16172.2°60.6°
CAVNBFCBDH1864.5°59.1°
CALCBACBDNBF47.2°43.7°
CALCBACBDCBB77.2°76.3°
CALCBACBDH18165.1°163.7°
CALCBACAKH24179.7°179.7°
CBACALCAHH27179.0°179.7°
NCACH6120.7°120.0°
NCACH7120.7°120.0°
NCACNAX154.4°180.0°
NCACO28.8°0.0°
CANCASCAU175.9°176.8°
NCAH6H7118.0°120.0°
CANCATH964.6°56.9°
CANCATH1055.1°63.2°
CANCASH1364.0°63.2°
CANCASH1455.8°56.9°
CCANCAS58.6°170.0°
CACNAXO176.7°180.0°
CACNAXCAZ179.0°175.0°
CACNAXH51.0°5.1°
CCAH6H7118.0°120.0°
CBACBDNBFCBB124.8°120.0°
CBACBDNBFH18117.5°120.0°
CBACBDNBFCAU176.4°55.3°
CBACBDCBBH18117.7°120.0°
CBACBDCBBCAN66.6°103.2°
CBACBDCBBCAM112.3°76.5°
CBDCBACAKH243.6°0.0°
CBDCBACALH284.8°0.3°
NCASCAUNBF57.7°58.5°
NCASCAUH13120.1°120.0°
NCASCAUH14120.1°119.9°
CASNCAH662.0°70.0°
CASNCAH7179.3°50.0°
CASNCATH957.9°179.3°
CASNCATH10177.7°60.6°
NCASH13H14119.7°120.0°
NCASCAUH1562.7°178.4°
NCASCAUH16178.0°61.5°
CNAXCAZH5180.0°180.0°
CNAXCAZCAP172.8°144.8°
CNAXCAZCAO7.6°35.7°
NAXCCAH633.7°60.0°
NAXCCAH785.0°60.0°
OCNAXCAZ2.3°5.0°
OCNAXH5177.7°175.0°
OCCAH6149.5°120.0°
OCCAH791.8°120.0°
NBFCBDCBBH18118.0°120.0°
CBDNBFCAUCAS174.8°176.8°
NBFCBDCBBCAN57.7°136.8°
NBFCBDCBBCAM123.3°43.5°
CBDNBFCAVH1154.5°63.2°
CBDNBFCAVH1264.8°56.9°
CBDNBFCAUH1554.5°56.9°
CBDNBFCAUH1664.8°63.2°
CAUNBFCBDCBB58.9°175.4°
NBFCAUCASH15120.3°119.9°
NBFCAUCASH16120.3°120.0°
CAUNBFCAVH1168.4°60.6°
CAUNBFCAVH12172.2°179.3°
NBFCAUCASH1362.4°61.6°
NBFCAUCASH14177.8°178.4°
NBFCAUH15H16118.9°120.1°
CAUNBFCBDH1858.8°64.7°
CBDCBBCANCAM179.0°179.7°
CBDCBBCANCAJ179.8°179.8°
CBDCBBCAMCAI178.9°180.0°
CBDCBBCAMH191.1°0.0°
CBDCBBCANH230.2°0.0°
NAXCAZCAPCAO179.6°179.5°
NAXCAZCAPCAR179.4°180.0°
NAXCAZCAOCAQ179.3°180.0°
NAXCAZCAOH10.7°0.3°
NAXCAZCAPH40.6°0.2°
CAUCASH13H14119.7°120.0°
CASCAUH15H16119.0°120.1°
CAZCAPCARH4180.0°179.8°
CAPCAZCAOCAQ1.1°0.5°
CAZCAPCARCBC0.6°0.3°
CAPCAZCAOH1178.9°179.8°
CAZCAPCARH3179.4°179.8°
CAPCAZNAXH57.2°35.2°
CAOCAZCAPCAR0.2°0.6°
CAZCAOCAQH1180.0°179.7°
CAZCAOCAQCBC2.0°0.3°
CAZCAOCAQH2178.0°179.7°
CAOCAZCAPH4179.8°179.7°
CAOCAZNAXH5172.4°144.3°
CAPCARCBCH3180.0°179.9°
CAPCARCBCCAQ0.3°0.1°
CAPCARCBCSBG179.1°179.9°
CAOCAQCBCCAR1.6°0.0°
CAOCAQCBCH2180.0°180.0°
CAOCAQCBCSBG177.8°180.0°
CBBCANCAJH23180.0°179.8°
CANCBBCAMCAI2.1°0.3°
CBBCANCAJCAF0.2°0.5°
CANCBBCBDH18175.7°16.7°
CANCBBCAMH19177.9°179.8°
CBBCANCAJH22179.8°179.8°
CAMCBBCANCAJ1.2°0.5°
CBBCAMCAIH19180.0°180.0°
CBBCAMCAICAF1.6°0.0°
CAMCBBCBDH185.3°163.5°
CBBCAMCAIH20178.4°180.0°
CAMCBBCANH23178.8°179.7°
CARCBCCAQSBG179.4°180.0°
CARCBCSBGNAA126.5°89.9°
CARCBCSBGOAD9.6°156.5°
CARCBCSBGOAC116.9°23.6°
CARCBCCAQH2178.4°179.9°
CBCCARCAPH4179.4°179.9°
CANCAJCAFH22180.0°179.7°
CANCAJCAFCAI0.8°0.2°
CANCAJCAFH21179.2°179.8°
CAQCBCSBGNAA52.9°90.0°
CAQCBCSBGOAD169.9°23.5°
CAQCBCSBGOAC63.7°156.4°
CBCCAQCAOH1178.0°180.0°
CAQCBCCARH3179.7°180.0°
CAMCAICAFCAJ0.1°0.0°
CAMCAICAFH20180.0°180.0°
CAMCAICAFH21179.9°180.0°
CBCSBGNAAOAD115.2°113.5°
CBCSBGNAAOAC115.1°113.5°
CBCSBGOADOAC119.2°123.0°
SBGCBCCAQH22.2°0.0°
SBGCBCCARH30.9°0.0°
CBCSBGNAAH29180.0°150.0°
CBCSBGNAAH3060.0°30.0°
NAASBGOADOAC124.4°122.9°
SBGNAAH29H30120.0°179.9°
OADSBGNAAH2964.8°96.4°
OADSBGNAAH3055.3°83.5°
OACSBGNAAH2964.9°36.5°
OACSBGNAAH30175.1°143.5°
CAJCAFCAIH21180.0°180.0°
CAJCAFCAIH20179.9°180.0°
CAFCAJCANH23179.8°179.7°
CAFCAICAMH19178.4°180.0°
CAICAFCAJH22179.2°180.0°
H1CAOCAQH22.0°0.0°
H3CARCAPH40.6°0.0°
H9CATCAVH11177.6°58.4°
H9CATCAVH1258.2°61.7°
H10CATCAVH1157.8°178.5°
H10CATCAVH1261.6°58.4°
H13CASCAUH15177.3°58.4°
H13CASCAUH1657.9°178.5°
H14CASCAUH1557.4°61.7°
H14CASCAUH1661.9°58.4°
H19CAMCAIH201.6°0.0°
H20CAICAFH210.2°0.0°
H21CAFCAJH220.8°0.0°
H22CAJCANH230.2°0.0°
H24CAKCAGH251.4°0.1°
H25CAGCAEH261.4°0.0°
H26CAECAHH270.2°0.0°
H27CAHCALH281.0°0.2°

226262

PDB entries from 2024-10-16

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