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QRO

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAGCAOdoub1.38Å1.42ÅAromatic
CAGCAHsing1.38Å1.41ÅAromatic
CAJCAOsing1.51Å1.33Å
CAJCAKsing1.53Å1.53Å
CAOCAIsing1.38Å1.40ÅAromatic
CAHCAPdoub1.38Å1.39ÅAromatic
CAICAQdoub1.38Å1.41ÅAromatic
CAPCAQsing1.39Å1.35ÅAromatic
CAPFAEsing1.35Å1.42Å
CAQFAFsing1.35Å1.33Å
CAKCASsing1.51Å1.49Å
OACCAUdoub1.22Å1.23Å
CASCAUsing1.47Å1.40Å
CASCARdoub1.36Å1.38Å
CAUNAMsing1.35Å1.39Å
CARCANsing1.48Å1.51Å
CARNALsing1.38Å1.42Å
OAACANdoub1.21Å1.26Å
NAMCATsing1.34Å1.35Å
CANOADsing1.35Å1.23Å
CATNALsing1.34Å1.36Å
CATOABdoub1.22Å1.26Å
OADH1sing0.97Å0.95Å
NAMH2sing0.97Å1.00Å
CAKH4sing1.09Å1.10Å
CAKH5sing1.09Å1.10Å
CAJH6sing1.09Å1.10Å
CAJH7sing1.09Å1.10Å
CAIH8sing1.08Å1.08Å
CAHH9sing1.08Å1.08Å
CAGH10sing1.08Å1.08Å
NALH11sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAOCAGCAH121.8°120.1°
CAGCAOCAJ122.5°120.0°
CAGCAOCAI115.8°120.1°
CAOCAGH10119.1°120.0°
CAGCAHCAP120.3°120.0°
CAGCAHH9119.9°120.0°
CAHCAGH10119.1°120.0°
CAOCAJCAK112.7°109.5°
CAJCAOCAI121.7°119.9°
CAOCAJH6108.7°109.5°
CAOCAJH7108.7°109.5°
CAJCAKCAS111.8°109.5°
CAJCAKH4108.9°109.5°
CAJCAKH5108.9°109.5°
CAKCAJH6108.6°109.5°
CAKCAJH7108.6°109.5°
CAOCAICAQ120.8°120.0°
CAOCAIH8119.6°120.0°
CAHCAPCAQ118.2°119.9°
CAHCAPFAE120.8°120.0°
CAPCAHH9119.9°120.0°
CAICAQCAP123.0°119.9°
CAICAQFAF120.9°120.0°
CAQCAIH8119.6°120.0°
CAQCAPFAE121.0°120.0°
CAPCAQFAF116.0°120.0°
CAKCASCAU120.8°120.8°
CAKCASCAR119.5°120.8°
CASCAKH4108.9°109.5°
CASCAKH5108.9°109.5°
OACCAUCAS125.2°120.6°
OACCAUNAM116.3°120.6°
CAUCASCAR119.7°118.4°
CASCAUNAM118.0°118.8°
CASCARCAN126.4°120.3°
CASCARNAL119.2°119.4°
CAUNAMCAT123.1°120.4°
CAUNAMH2118.5°119.8°
CANCARNAL113.7°120.3°
CARCANOAA114.2°120.0°
CARCANOAD114.9°120.1°
CARNALCAT120.4°121.2°
CARNALH11119.8°119.5°
OAACANOAD130.9°120.0°
NAMCATNAL119.3°121.8°
NAMCATOAB121.6°119.1°
CATNAMH2118.5°119.8°
CANOADH1109.5°117.0°
NALCATOAB118.9°119.1°
CATNALH11119.9°119.4°
H4CAKH5109.4°109.4°
H6CAJH7109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAOCAGCAHH10180.0°179.8°
CAGCAOCAJCAI179.6°179.7°
CAGCAOCAJCAK79.3°90.3°
CAOCAGCAHCAP1.9°0.5°
CAGCAOCAICAQ3.0°0.3°
CAGCAOCAJH6160.2°149.7°
CAGCAOCAJH741.1°29.7°
CAGCAOCAIH8177.0°179.8°
CAOCAGCAHH9178.0°179.7°
CAHCAGCAOCAJ176.9°179.8°
CAHCAGCAOCAI3.4°0.5°
CAGCAHCAPH9180.0°179.8°
CAGCAHCAPCAQ0.1°0.2°
CAGCAHCAPFAE177.4°179.7°
CAOCAJCAKH6120.5°120.0°
CAOCAJCAKH7120.5°120.0°
CAJCAOCAICAQ177.4°180.0°
CAOCAJCAKCAS60.3°180.0°
CAOCAJCAKH4179.4°60.0°
CAOCAJCAKH560.1°60.0°
CAOCAJH6H7118.6°120.0°
CAJCAOCAIH82.6°0.1°
CAJCAOCAGH103.1°0.0°
CAKCAJCAOCAI101.0°90.0°
CAJCAKCASH4120.3°120.0°
CAJCAKCASH5120.4°120.0°
CAJCAKCASCAU68.5°88.1°
CAJCAKCASCAR112.4°91.4°
CAJCAKH4H5119.0°120.0°
CAKCAJH6H7118.5°120.0°
CAOCAICAQH8180.0°179.9°
CAOCAICAQCAP1.1°0.1°
CAOCAICAQFAF175.4°180.0°
CAICAOCAJH619.4°30.0°
CAICAOCAJH7138.5°150.0°
CAICAOCAGH10176.6°179.7°
CAHCAPCAQCAI0.6°0.0°
CAHCAPCAQFAE177.3°179.9°
CAHCAPCAQFAF177.2°179.9°
CAPCAHCAGH10178.0°179.8°
CAICAQCAPFAF176.6°179.9°
CAICAQCAPFAE177.8°179.9°
CAPCAQCAIH8178.9°180.0°
CAQCAPCAHH9179.9°180.0°
FAECAPCAQFAF5.5°0.0°
FAECAPCAHH92.6°0.1°
FAFCAQCAIH84.6°0.1°
CAKCASCAUOAC1.3°0.2°
CAKCASCAUCAR179.1°179.5°
CAKCASCAUNAM173.1°180.0°
CAKCASCARCAN4.3°0.2°
CAKCASCARNAL174.1°180.0°
CASCAKH4H5119.0°120.0°
CASCAKCAJH660.2°60.0°
CASCAKCAJH7179.2°60.0°
OACCAUCASNAM171.8°179.8°
OACCAUCASCAR179.6°179.7°
OACCAUNAMCAT176.3°180.0°
OACCAUNAMH23.7°0.1°
CAUCASCARCAN176.6°179.8°
CAUCASCARNAL6.8°0.5°
CASCAUNAMCAT3.8°0.3°
CASCAUNAMH2176.2°179.8°
CAUCASCAKH451.8°31.9°
CAUCASCAKH5171.1°151.8°
CARCASCAUNAM7.8°0.5°
CASCARCANNAL170.3°179.8°
CASCARCANOAA58.0°6.2°
CASCARCANOAD122.5°173.4°
CASCARNALCAT1.5°0.3°
CARCASCAKH4127.3°148.6°
CARCASCAKH58.0°28.6°
CASCARNALH11178.5°179.8°
CAUNAMCATH2180.0°179.9°
CAUNAMCATNAL1.5°0.1°
CAUNAMCATOAB175.7°179.9°
CARCANOAAOAD179.5°179.7°
CANCARNALCAT172.6°180.0°
CARCANOADH1179.5°179.7°
CANCARNALH117.4°0.0°
NALCARCANOAA131.8°174.0°
CARNALCATNAM2.6°0.0°
NALCARCANOAD47.8°6.3°
CARNALCATH11180.0°180.0°
CARNALCATOAB177.0°179.9°
OAACANOADH10.0°0.0°
NAMCATNALOAB174.4°179.9°
NAMCATNALH11177.4°180.0°
NALCATNAMH2178.6°179.9°
OABCATNAMH24.3°0.2°
OABCATNALH113.0°0.1°
H4CAKCAJH660.1°180.0°
H4CAKCAJH758.9°60.0°
H5CAKCAJH6179.4°60.0°
H5CAKCAJH760.4°NaN°
H9CAHCAGH102.0°0.1°

222415

PDB entries from 2024-07-10

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