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9R2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAQCAPsing1.53Å1.51Å
CAPCAOsing1.53Å1.51Å
CAOCANsing1.53Å1.52Å
CANCAMsing1.53Å1.52Å
CAMCALsing1.53Å1.52Å
CALCAKsing1.53Å1.52Å
CAKCAJsing1.53Å1.52Å
CAJCAIsing1.53Å1.52Å
CAICAHsing1.53Å1.52Å
CAHCAGsing1.53Å1.52Å
CAGCAFsing1.53Å1.52Å
CAFCAEsing1.53Å1.52Å
CAECADsing1.53Å1.52Å
CADCACsing1.53Å1.52Å
CACCABsing1.51Å1.50Å
CABOAAdoub1.21Å1.20Å
CABO6sing1.34Å1.33Å
O2C2sing1.43Å1.42Å
O5C1sing1.43Å1.43Å
O5C5sing1.43Å1.44Å
C1O1sing1.43Å1.40Å
C1C2sing1.53Å1.52Å
O6C6sing1.45Å1.44Å
C2C3sing1.53Å1.52Å
C6C5sing1.53Å1.51Å
C5C4sing1.53Å1.53Å
C4C3sing1.53Å1.52Å
C4O4sing1.43Å1.42Å
C3O3sing1.43Å1.42Å
CAQHA6sing1.09Å1.10Å
CAQHA4sing1.09Å1.10Å
CAQHA5sing1.09Å1.10Å
CAPHA2sing1.09Å1.10Å
CAPHA3sing1.09Å1.10Å
CAOHA1sing1.09Å1.10Å
CAOHA0sing1.09Å1.10Å
CANHAZsing1.09Å1.10Å
CANHAYsing1.09Å1.10Å
CAMHAXsing1.09Å1.10Å
CAMHAWsing1.09Å1.10Å
CALHAVsing1.09Å1.10Å
CALHAUsing1.09Å1.10Å
CAKHATsing1.09Å1.10Å
CAKHASsing1.09Å1.10Å
CAJHARsing1.09Å1.10Å
CAJHAQsing1.09Å1.10Å
CAIHAPsing1.09Å1.10Å
CAIHAOsing1.09Å1.10Å
CAHHANsing1.09Å1.10Å
CAHHAMsing1.09Å1.10Å
CAGHALsing1.09Å1.10Å
CAGHAKsing1.09Å1.10Å
CAFHAJsing1.09Å1.10Å
CAFHAIsing1.09Å1.10Å
CAEHAHsing1.09Å1.10Å
CAEHAGsing1.09Å1.10Å
CADHAFsing1.09Å1.10Å
CADHAEsing1.09Å1.10Å
CACHADsing1.09Å1.10Å
CACHACsing1.09Å1.10Å
C6H61sing1.09Å1.10Å
C6H62sing1.09Å1.10Å
C5H5sing1.09Å1.10Å
C1H11sing1.09Å1.10Å
O1H12sing0.97Å0.95Å
C2H21sing1.09Å1.10Å
O2H22sing0.97Å0.95Å
C3H31sing1.09Å1.10Å
O3H32sing0.97Å0.95Å
C4H41sing1.09Å1.10Å
O4H42sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAQCAPCAO113.0°109.5°
CAPCAQHA6109.5°109.5°
CAPCAQHA4109.5°109.5°
CAPCAQHA5109.5°109.5°
CAQCAPHA2108.6°109.5°
CAQCAPHA3108.6°109.5°
CAPCAOCAN114.5°109.4°
CAOCAPHA2108.6°109.5°
CAOCAPHA3108.6°109.5°
CAPCAOHA1108.2°109.5°
CAPCAOHA0108.2°109.5°
CAOCANCAM112.8°109.5°
CANCAOHA1108.2°109.4°
CANCAOHA0108.2°109.6°
CAOCANHAZ108.6°109.5°
CAOCANHAY108.6°109.6°
CANCAMCAL115.1°109.5°
CAMCANHAZ108.6°109.4°
CAMCANHAY108.7°109.5°
CANCAMHAX108.0°109.4°
CANCAMHAW108.0°109.5°
CAMCALCAK112.3°109.5°
CALCAMHAX108.1°109.5°
CALCAMHAW108.0°109.5°
CAMCALHAV108.7°109.5°
CAMCALHAU108.8°109.5°
CALCAKCAJ115.1°109.5°
CAKCALHAV108.8°109.5°
CAKCALHAU108.8°109.4°
CALCAKHAT108.1°109.4°
CALCAKHAS108.1°109.4°
CAKCAJCAI112.7°109.5°
CAJCAKHAT108.0°109.5°
CAJCAKHAS108.1°109.5°
CAKCAJHAR108.6°109.5°
CAKCAJHAQ108.6°109.5°
CAJCAICAH114.2°109.5°
CAICAJHAR108.7°109.5°
CAICAJHAQ108.7°109.5°
CAJCAIHAP108.3°109.5°
CAJCAIHAO108.3°109.5°
CAICAHCAG114.3°109.5°
CAHCAIHAP108.3°109.5°
CAHCAIHAO108.3°109.5°
CAICAHHAN108.3°109.5°
CAICAHHAM108.2°109.4°
CAHCAGCAF113.7°109.5°
CAGCAHHAN108.2°109.5°
CAGCAHHAM108.3°109.5°
CAHCAGHAL108.4°109.5°
CAHCAGHAK108.4°109.5°
CAGCAFCAE114.3°109.5°
CAFCAGHAL108.4°109.5°
CAFCAGHAK108.4°109.4°
CAGCAFHAJ108.3°109.5°
CAGCAFHAI108.2°109.4°
CAFCAECAD114.1°109.4°
CAECAFHAJ108.2°109.5°
CAECAFHAI108.2°109.5°
CAFCAEHAH108.3°109.5°
CAFCAEHAG108.3°109.5°
CAECADCAC113.2°109.4°
CADCAEHAH108.3°109.5°
CADCAEHAG108.3°109.5°
CAECADHAF108.5°109.5°
CAECADHAE108.5°109.5°
CADCACCAB113.0°109.4°
CACCADHAF108.5°109.5°
CACCADHAE108.5°109.5°
CADCACHAD108.6°109.5°
CADCACHAC108.5°109.5°
CACCABOAA125.2°120.0°
CACCABO6111.0°120.0°
CABCACHAD108.6°109.5°
CABCACHAC108.6°109.4°
OAACABO6123.8°120.0°
CABO6C6117.7°117.0°
O2C2C1109.1°109.5°
O2C2C3110.0°109.5°
O2C2H21110.1°109.5°
C2O2H22109.5°114.0°
C1O5C5114.3°114.1°
O5C1O1111.6°109.5°
O5C1C2109.6°109.4°
O5C1H11108.7°109.5°
O5C5C6106.7°109.5°
O5C5C4110.4°109.4°
O5C5H5110.2°109.5°
O1C1C2110.2°109.5°
O1C1H11109.1°109.5°
C1O1H12109.5°114.0°
C1C2C3110.3°109.2°
C2C1H11107.6°109.5°
C1C2H21108.7°109.5°
O6C6C5107.6°109.5°
O6C6H61109.9°109.5°
O6C6H62109.9°109.5°
C2C3C4110.0°109.1°
C2C3O3110.1°109.6°
C3C2H21108.7°109.6°
C2C3H31108.5°109.5°
C6C5C4111.1°109.5°
C5C6H61109.9°109.4°
C5C6H62109.9°109.5°
C6C5H5109.3°109.5°
C5C4C3110.2°109.1°
C5C4O4108.9°109.5°
C4C5H5109.0°109.5°
C5C4H41108.8°109.5°
C3C4O4109.9°109.5°
C4C3O3109.7°109.5°
C4C3H31108.6°109.6°
C3C4H41108.8°109.5°
O4C4H41110.2°109.7°
C4O4H42109.5°114.0°
O3C3H31109.9°109.5°
C3O3H32109.5°114.0°
HA6CAQHA4109.5°109.5°
HA6CAQHA5109.5°109.5°
HA4CAQHA5109.4°109.5°
HA2CAPHA3109.5°109.4°
HA1CAOHA0109.4°109.5°
HAZCANHAY109.5°109.5°
HAXCAMHAW109.5°109.4°
HAVCALHAU109.5°109.5°
HATCAKHAS109.4°109.5°
HARCAJHAQ109.5°109.4°
HAPCAIHAO109.5°109.4°
HANCAHHAM109.5°109.5°
HALCAGHAK109.5°109.5°
HAJCAFHAI109.5°109.5°
HAHCAEHAG109.5°109.5°
HAFCADHAE109.4°109.5°
HADCACHAC109.5°109.5°
H61C6H62109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAQCAPCAOHA2120.5°120.0°
CAQCAPCAOHA3120.5°120.0°
CAQCAPCAOCAN70.9°179.9°
CAPCAQHA6HA4120.1°120.0°
CAPCAQHA6HA5120.0°120.0°
CAPCAQHA4HA5120.0°120.0°
CAQCAPHA2HA3118.4°119.9°
CAQCAPCAOHA149.9°60.0°
CAQCAPCAOHA0168.4°60.0°
CAPCAOCANHA1120.8°119.9°
CAPCAOCANHA0120.8°120.0°
CAPCAOCANCAM178.1°180.0°
CAOCAPCAQHA6180.0°60.0°
CAOCAPCAQHA460.0°60.0°
CAOCAPCAQHA560.0°180.0°
CAOCAPHA2HA3118.4°120.0°
CAPCAOHA1HA0117.7°120.0°
CAPCAOCANHAZ61.4°60.1°
CAPCAOCANHAY57.6°60.0°
CAOCANCAMHAZ120.5°120.0°
CAOCANCAMHAY120.5°120.1°
CAOCANCAMCAL173.2°179.9°
CANCAOCAPHA2168.6°60.0°
CANCAOCAPHA349.7°59.9°
CANCAOHA1HA0117.7°120.1°
CAOCANHAZHAY118.4°120.1°
CAOCANCAMHAX66.0°60.0°
CAOCANCAMHAW52.3°59.9°
CANCAMCALHAX120.8°120.0°
CANCAMCALHAW120.8°120.0°
CANCAMCALCAK173.2°180.0°
CAMCANCAOHA157.4°60.1°
CAMCANCAOHA061.1°60.0°
CAMCANHAZHAY118.5°119.9°
CANCAMHAXHAW117.4°119.9°
CANCAMCALHAV52.8°60.0°
CANCAMCALHAU66.3°60.0°
CAMCALCAKHAV120.4°120.0°
CAMCALCAKHAU120.4°120.0°
CAMCALCAKCAJ174.0°NaN°
CALCAMCANHAZ52.7°60.0°
CALCAMCANHAY66.3°60.0°
CALCAMHAXHAW117.4°120.1°
CAMCALHAVHAU118.7°120.0°
CAMCALCAKHAT53.2°60.0°
CAMCALCAKHAS65.1°60.0°
CALCAKCAJHAT120.8°120.0°
CALCAKCAJHAS120.9°119.9°
CALCAKCAJCAI177.9°180.0°
CAKCALCAMHAX66.0°60.0°
CAKCALCAMHAW52.4°60.0°
CAKCALHAVHAU118.7°120.0°
CALCAKHATHAS117.4°119.9°
CALCAKCAJHAR61.6°60.0°
CALCAKCAJHAQ57.4°60.0°
CAKCAJCAIHAR120.5°120.0°
CAKCAJCAIHAQ120.5°120.0°
CAKCAJCAICAH169.1°180.0°
CAJCAKCALHAV65.5°60.0°
CAJCAKCALHAU53.6°60.0°
CAJCAKHATHAS117.4°120.1°
CAKCAJHARHAQ118.5°120.0°
CAKCAJCAIHAP48.4°60.0°
CAKCAJCAIHAO70.2°60.0°
CAJCAICAHHAP120.7°120.0°
CAJCAICAHHAO120.7°120.0°
CAJCAICAHCAG114.0°180.0°
CAICAJCAKHAT57.1°60.0°
CAICAJCAKHAS61.2°60.1°
CAICAJHARHAQ118.6°119.9°
CAJCAIHAPHAO117.8°120.0°
CAJCAICAHHAN6.7°60.0°
CAJCAICAHHAM125.3°60.0°
CAICAHCAGHAN120.7°120.0°
CAICAHCAGHAM120.7°120.0°
CAICAHCAGCAF165.5°180.0°
CAHCAICAJHAR70.4°60.0°
CAHCAICAJHAQ48.6°60.0°
CAHCAIHAPHAO117.9°119.9°
CAICAHHANHAM117.8°120.0°
CAICAHCAGHAL44.9°60.0°
CAICAHCAGHAK73.9°60.1°
CAHCAGCAFHAL120.6°120.0°
CAHCAGCAFHAK120.6°120.0°
CAHCAGCAFCAE58.0°180.0°
CAGCAHCAIHAP125.3°59.9°
CAGCAHCAIHAO6.7°60.0°
CAGCAHHANHAM117.8°120.0°
CAHCAGHALHAK118.0°120.0°
CAHCAGCAFHAJ62.7°60.0°
CAHCAGCAFHAI178.7°60.0°
CAGCAFCAEHAJ120.7°120.0°
CAGCAFCAEHAI120.7°120.0°
CAGCAFCAECAD175.4°180.0°
CAFCAGCAHHAN73.8°60.0°
CAFCAGCAHHAM44.8°60.0°
CAFCAGHALHAK118.1°120.0°
CAGCAFHAJHAI117.8°120.0°
CAGCAFCAEHAH63.9°60.0°
CAGCAFCAEHAG54.7°60.0°
CAFCAECADHAH120.7°120.0°
CAFCAECADHAG120.7°120.0°
CAFCAECADCAC92.8°180.0°
CAECAFCAGHAL178.6°60.0°
CAECAFCAGHAK62.6°60.0°
CAECAFHAJHAI117.8°120.1°
CAFCAEHAHHAG117.9°120.1°
CAFCAECADHAF146.6°60.0°
CAFCAECADHAE27.8°60.0°
CAECADCACHAF120.6°120.0°
CAECADCACHAE120.6°120.0°
CAECADCACCAB109.1°180.0°
CADCAECAFHAJ54.7°60.0°
CADCAECAFHAI63.9°60.0°
CADCAEHAHHAG117.9°120.0°
CAECADHAFHAE118.2°120.0°
CAECADCACHAD130.4°60.0°
CAECADCACHAC11.5°60.0°
CADCACCABHAD120.5°120.1°
CADCACCABHAC120.5°120.0°
CADCACCABOAA122.2°0.0°
CADCACCABO658.2°180.0°
CACCADCAEHAH27.9°60.0°
CACCADCAEHAG146.5°60.0°
CACCADHAFHAE118.3°120.0°
CADCACHADHAC118.3°120.0°
CACCABOAAO6179.6°180.0°
CACCABO6C6176.4°180.0°
CABCACCADHAF11.5°60.0°
CABCACCADHAE130.4°60.0°
CABCACHADHAC118.4°120.0°
OAACABO6C63.3°0.0°
OAACABCACHAD117.3°120.1°
OAACABCACHAC1.7°120.0°
CABO6C6C5166.8°180.0°
O6CABCACHAD62.3°59.9°
O6CABCACHAC178.7°60.0°
CABO6C6H6173.5°60.0°
CABO6C6H6247.1°60.0°
O2C2C1O564.0°62.3°
O2C2C1O1172.8°177.7°
O2C2C1C3120.9°119.9°
O2C2C1H21120.0°120.1°
O2C2C3H21120.6°120.2°
O2C2C3C464.9°62.9°
O2C2C3O356.1°56.9°
O2C2C1H1154.1°57.6°
O2C2C3H31176.4°177.1°
O5C1O1C2122.0°119.9°
O5C1O1H11120.1°120.1°
O5C1C2H11118.1°119.9°
O5C1C2C356.9°57.6°
C1O5C5C6179.6°178.8°
C1O5C5C458.7°61.2°
C1O5C5H561.8°58.8°
O5C1O1H12180.0°60.0°
O5C1C2H21176.0°177.6°
C5O5C1O162.7°58.8°
C5O5C1C259.7°61.2°
O5C5C6O653.6°65.1°
O5C5C6C4120.5°119.9°
O5C5C6H5119.2°120.0°
O5C5C4H5121.3°120.0°
O5C5C4C354.6°57.6°
O5C5C4O4175.2°177.5°
O5C5C6H61173.3°55.0°
O5C5C6H6266.1°174.9°
C5O5C1H11177.0°178.9°
O5C5C4H4164.7°62.2°
O1C1C2H11118.8°120.1°
O1C1C2C366.3°62.4°
O1C1C2H2152.8°57.6°
C1C2C3H21119.1°119.9°
C1C2C3C455.4°57.0°
C1C2C3O3176.5°176.9°
C2C1O1H1258.0°180.0°
C1C2O2H22180.0°60.0°
C1C2C3H3163.2°63.0°
O6C6C5H61119.7°120.1°
O6C6C5H62119.7°120.0°
O6C6C5C466.9°175.0°
O6C6H61H62120.9°120.0°
O6C6C5H5172.8°55.0°
C2C3C4C554.1°57.0°
C2C3C4O3121.2°119.9°
C2C3C4H31118.7°119.9°
C2C3C4O4174.1°176.9°
C2C3O3H31119.5°120.1°
C3C2C1H11174.9°177.6°
C3C2O2H2258.9°179.7°
C2C3O3H32180.0°59.9°
C2C3C4H4165.1°62.9°
C6C5C4H5120.5°120.0°
C6C5C4C3172.8°177.6°
C6C5C4O466.5°62.5°
C5C6H61H62120.8°119.9°
C6C5C4H4153.6°57.7°
C5C4C3O4120.1°119.9°
C5C4C3H41119.2°119.8°
C5C4O4H41119.2°120.2°
C5C4C3O3175.3°176.9°
C4C5C6H6152.8°64.9°
C4C5C6H62173.4°55.0°
C5C4C3H3164.6°62.9°
C5C4O4H42180.0°180.0°
C3C4O4H41120.0°120.2°
C4C3O3H31119.3°120.3°
C3C4C5H566.7°62.4°
C4C3C2H21174.6°176.9°
C4C3O3H3258.8°179.5°
C3C4O4H4259.2°60.4°
O4C4C3O364.7°63.2°
O4C4C5H554.0°57.5°
O4C4C3H3155.4°56.9°
O3C3C2H2164.4°63.2°
O3C3C4H4156.1°57.0°
HA6CAQHA4HA5120.0°120.0°
HA6CAQCAPHA259.5°60.0°
HA6CAQCAPHA359.4°179.9°
HA4CAQCAPHA260.5°180.0°
HA4CAQCAPHA3179.5°60.0°
HA5CAQCAPHA2179.5°60.0°
HA5CAQCAPHA360.6°60.0°
HA2CAPCAOHA170.6°179.9°
HA2CAPCAOHA047.9°60.0°
HA3CAPCAOHA1170.4°60.0°
HA3CAPCAOHA071.1°180.0°
HA1CAOCANHAZ177.8°180.0°
HA1CAOCANHAY63.2°60.0°
HA0CAOCANHAZ59.4°59.9°
HA0CAOCANHAY178.4°180.0°
HAZCANCAMHAX173.5°180.0°
HAZCANCAMHAW68.1°60.0°
HAYCANCAMHAX54.5°60.1°
HAYCANCAMHAW172.8°180.0°
HAXCAMCALHAV173.6°180.0°
HAXCAMCALHAU54.5°59.9°
HAWCAMCALHAV68.0°60.0°
HAWCAMCALHAU172.8°180.0°
HAVCALCAKHAT173.6°180.0°
HAVCALCAKHAS55.3°60.0°
HAUCALCAKHAT67.2°60.0°
HAUCALCAKHAS174.5°NaN°
HATCAKCAJHAR177.5°179.9°
HATCAKCAJHAQ63.4°60.0°
HASCAKCAJHAR59.2°60.0°
HASCAKCAJHAQ178.3°179.9°
HARCAJCAIHAP168.8°NaN°
HARCAJCAIHAO50.3°60.1°
HAQCAJCAIHAP72.1°60.1°
HAQCAJCAIHAO169.3°180.0°
HAPCAICAHHAN114.0°180.0°
HAPCAICAHHAM4.6°60.1°
HAOCAICAHHAN127.4°60.0°
HAOCAICAHHAM114.0°180.0°
HANCAHCAGHAL165.6°NaN°
HANCAHCAGHAK46.9°59.9°
HAMCAHCAGHAL75.8°60.0°
HAMCAHCAGHAK165.4°180.0°
HALCAGCAFHAJ57.9°180.0°
HALCAGCAFHAI60.7°60.0°
HAKCAGCAFHAJ176.7°60.0°
HAKCAGCAFHAI58.1°180.0°
HAJCAFCAEHAH175.4°180.0°
HAJCAFCAEHAG66.0°60.0°
HAICAFCAEHAH56.8°60.0°
HAICAFCAEHAG175.4°180.0°
HAHCAECADHAF92.7°NaN°
HAHCAECADHAE148.5°60.0°
HAGCAECADHAF25.9°60.0°
HAGCAECADHAE92.9°180.0°
HAFCADCACHAD109.0°180.0°
HAFCADCACHAC132.0°59.9°
HAECADCACHAD9.8°60.0°
HAECADCACHAC109.1°180.0°
H61C6C5H567.5°175.0°
H62C6C5H553.1°65.1°
H5C5C4H41174.1°177.8°
H11C1O1H1259.9°60.0°
H11C1C2H2165.9°62.5°
H21C2O2H2260.8°60.2°
H21C2C3H3155.9°56.9°
H31C3O3H3260.5°60.2°
H31C3C4H41176.2°177.2°
H41C4O4H4260.8°59.8°

222415

PDB entries from 2024-07-10

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