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ODE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAICAFdoub1.40Å1.41ÅAromatic
CAICANsing1.38Å1.41ÅAromatic
CAIHAIsing1.08Å1.08Å
CANCAVdoub1.39Å1.39ÅAromatic
CANHANsing1.08Å1.08Å
CAVCAOsing1.39Å1.39ÅAromatic
CAVOAZsing1.36Å1.35Å
OAZHOAZsing0.97Å0.95Å
CAOCALdoub1.38Å1.39ÅAromatic
CAOHAOsing1.08Å1.08Å
CALCAFsing1.40Å1.38ÅAromatic
CALHALsing1.08Å1.08Å
CAFCAAsing1.47Å1.40Å
CAACACsing1.53Å1.53Å
CAACABdoub1.36Å1.40Å
CACOBCsing1.47Å1.49Å
CACCADsing1.56Å1.53Å
CACHACsing1.09Å1.10Å
OBCCAEsing1.47Å1.45Å
CADCAKsing1.55Å1.56Å
CADCARsing1.51Å1.47Å
CADHADsing1.09Å1.10Å
CAROBAsing1.34Å1.37Å
CAROBDdoub1.21Å1.24Å
OBACAJsing1.45Å1.41Å
CAJCAUsing1.53Å1.54Å
CAJHAJ1sing1.09Å1.10Å
CAJHAJ2sing1.09Å1.10Å
CAUHAU1sing1.09Å1.10Å
CAUHAU2sing1.09Å1.10Å
CAUHAU3sing1.09Å1.10Å
CAKCAQsing1.51Å1.58Å
CAKCAEsing1.56Å1.58Å
CAKHAKsing1.09Å1.10Å
CAQOBBsing1.34Å1.38Å
CAQOAYdoub1.21Å1.22Å
OBBCASsing1.45Å1.45Å
CASCAGsing1.53Å1.54Å
CASHAS1sing1.09Å1.10Å
CASHAS2sing1.09Å1.10Å
CAGHAG1sing1.09Å1.10Å
CAGHAG2sing1.09Å1.10Å
CAGHAG3sing1.09Å1.10Å
CAECABsing1.53Å1.57Å
CAEHAEsing1.09Å1.10Å
CABCAHsing1.47Å1.39Å
CAHCAPdoub1.40Å1.40ÅAromatic
CAHCAMsing1.40Å1.39ÅAromatic
CAMCAWdoub1.38Å1.41ÅAromatic
CAMHAMsing1.08Å1.08Å
CAWCATsing1.39Å1.39ÅAromatic
CAWHAWsing1.08Å1.08Å
CATCAXdoub1.39Å1.40ÅAromatic
CATOBEsing1.36Å1.34Å
OBEHOBEsing0.97Å0.95Å
CAXCAPsing1.38Å1.39ÅAromatic
CAXHAXsing1.08Å1.08Å
CAPHAPsing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAFCAICAN121.5°119.9°
CAFCAIHAI119.3°120.0°
CAICAFCAL119.9°119.8°
CAICAFCAA120.9°120.1°
CANCAIHAI119.2°120.1°
CAICANCAV117.1°120.1°
CAICANHAN121.4°119.9°
CAVCANHAN121.4°119.9°
CANCAVCAO121.4°120.2°
CANCAVOAZ120.8°119.9°
CAOCAVOAZ117.8°119.9°
CAVCAOCAL121.2°120.1°
CAVCAOHAO119.4°119.9°
CAVOAZHOAZ109.5°114.0°
CALCAOHAO119.4°119.9°
CAOCALCAF119.0°119.9°
CAOCALHAL120.5°120.1°
CAFCALHAL120.5°120.1°
CALCAFCAA119.2°120.1°
CAFCAACAC128.7°127.0°
CAFCAACAB128.2°127.1°
CACCAACAB103.0°106.0°
CAACACOBC93.8°100.7°
CAACACCAD123.3°105.1°
CAACACHAC108.5°115.7°
CAACABCAE107.5°105.9°
CAACABCAH130.4°127.0°
OBCCACCAD98.4°101.0°
OBCCACHAC130.4°116.0°
CACOBCCAE97.8°97.0°
CADCACHAC104.5°116.2°
CACCADCAK102.3°102.0°
CACCADCAR106.3°110.9°
CACCADHAD115.5°110.9°
OBCCAECAK91.3°101.1°
OBCCAECAB91.1°100.8°
OBCCAEHAE138.7°116.0°
CAKCADCAR108.5°110.9°
CAKCADHAD113.6°110.9°
CADCAKCAQ115.4°110.9°
CADCAKCAE100.3°101.9°
CADCAKHAK116.8°111.0°
CARCADHAD110.0°110.9°
CADCAROBA119.4°120.0°
CADCAROBD117.3°120.0°
OBACAROBD123.3°120.0°
CAROBACAJ113.1°117.0°
OBACAJCAU90.6°109.4°
OBACAJHAJ1116.3°109.5°
OBACAJHAJ2119.8°109.5°
CAUCAJHAJ1116.3°109.5°
CAUCAJHAJ2119.8°109.4°
CAJCAUHAU1109.5°109.5°
CAJCAUHAU2109.4°109.5°
CAJCAUHAU3109.5°109.5°
HAJ1CAJHAJ295.9°109.5°
HAU1CAUHAU2109.5°109.4°
HAU1CAUHAU3109.4°109.4°
HAU2CAUHAU3109.5°109.4°
CAQCAKCAE121.0°110.9°
CAQCAKHAK93.6°110.8°
CAKCAQOBB126.4°120.0°
CAKCAQOAY120.6°120.0°
CAECAKHAK110.7°111.0°
CAKCAECAB130.1°104.9°
CAKCAEHAE105.2°115.6°
OBBCAQOAY112.9°120.0°
CAQOBBCAS113.1°117.0°
OBBCASCAG108.9°109.5°
OBBCASHAS1109.7°109.5°
OBBCASHAS2109.8°109.4°
CAGCASHAS1109.7°109.5°
CAGCASHAS2109.8°109.5°
CASCAGHAG1109.5°109.5°
CASCAGHAG2109.5°109.4°
CASCAGHAG3109.4°109.4°
HAS1CASHAS2109.0°109.5°
HAG1CAGHAG2109.4°109.5°
HAG1CAGHAG3109.5°109.5°
HAG2CAGHAG3109.5°109.4°
CABCAEHAE105.3°116.3°
CAECABCAH121.1°127.1°
CABCAHCAP116.8°120.1°
CABCAHCAM123.8°120.1°
CAPCAHCAM118.9°119.8°
CAHCAPCAX120.9°119.9°
CAHCAPHAP119.5°120.0°
CAHCAMCAW120.8°119.9°
CAHCAMHAM119.6°120.0°
CAWCAMHAM119.6°120.1°
CAMCAWCAT119.6°120.1°
CAMCAWHAW120.2°120.0°
CATCAWHAW120.2°119.9°
CAWCATCAX120.4°120.2°
CAWCATOBE118.5°119.9°
CAXCATOBE121.2°119.9°
CATCAXCAP119.3°120.1°
CATCAXHAX120.3°120.0°
CATOBEHOBE109.5°114.0°
CAPCAXHAX120.3°120.0°
CAXCAPHAP119.5°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAFCAICANHAI180.0°179.7°
CAFCAICANCAV1.9°0.0°
CAFCAICANHAN178.1°179.9°
CAICAFCALCAO0.9°0.0°
CAICAFCALCAA178.4°180.0°
CAICAFCALHAL179.1°180.0°
CAICAFCAACAC18.8°115.0°
CAICAFCAACAB155.1°64.7°
CAICANCAVHAN180.0°179.9°
CAICANCAVCAO0.6°0.0°
CAICANCAVOAZ177.3°180.0°
CANCAICAFCAL2.0°0.0°
CANCAICAFCAA179.6°180.0°
HAICAICANCAV178.1°179.8°
HAICAICANHAN1.9°0.3°
HAICAICAFCAL177.9°179.8°
HAICAICAFCAA0.5°0.2°
CANCAVCAOOAZ178.0°180.0°
CANCAVOAZHOAZ173.1°90.0°
CANCAVCAOCAL0.5°0.0°
CANCAVCAOHAO179.5°180.0°
HANCANCAVCAO179.4°179.9°
HANCANCAVOAZ2.7°0.1°
CAOCAVOAZHOAZ8.9°90.0°
CAVCAOCALHAO180.0°179.9°
CAVCAOCALCAF0.3°0.0°
CAVCAOCALHAL179.7°180.0°
OAZCAVCAOCAL178.5°180.0°
OAZCAVCAOHAO1.5°0.1°
CAOCALCAFHAL180.0°180.0°
CAOCALCAFCAA179.3°180.0°
HAOCAOCALCAF179.7°180.0°
HAOCAOCALHAL0.3°0.0°
CALCAFCAACAC162.8°65.0°
CALCAFCAACAB23.3°115.3°
HALCALCAFCAA0.7°0.0°
CAFCAACACCAB175.1°179.8°
CAFCAACACOBC137.7°147.9°
CAFCAACACCAD119.7°107.5°
CAFCAACACHAC2.7°22.1°
CAFCAACABCAE174.4°179.9°
CAFCAACABCAH5.7°0.0°
CAACACOBCCAD124.5°107.8°
CAACACOBCHAC118.2°125.6°
CAACACCADHAC124.2°129.2°
CAACACOBCCAE64.9°50.5°
CAACACCADCAK77.3°69.6°
CAACACCADCAR36.4°48.6°
CAACACCADHAD158.7°172.3°
CACCAACABCAE0.7°0.3°
CACCAACABCAH169.4°179.8°
CABCAACACOBC37.4°32.3°
CABCAACACCAD65.2°72.3°
CABCAACACHAC172.4°158.1°
CAACABCAEOBC37.6°31.8°
CAACABCAECAK55.0°72.9°
CAACABCAECAH170.0°179.9°
CAACABCAEHAE179.2°158.1°
CAACABCAHCAP66.1°52.4°
CAACABCAHCAM121.8°127.4°
OBCCACCADHAC135.7°126.4°
OBCCACCADCAK22.8°34.7°
OBCCACCADCAR136.6°152.9°
OBCCACCADHAD101.1°83.4°
CACOBCCAECAK68.4°57.4°
CACOBCCAECAB61.7°50.4°
CACOBCCAEHAE176.7°176.8°
CADCACOBCCAE59.6°57.3°
CACCADCAKCAR112.1°118.2°
CACCADCAKHAD125.2°118.1°
CACCADCARHAD125.8°123.7°
CACCADCAROBA119.1°167.8°
CACCADCAROBD62.2°12.2°
CACCADCAKCAQ148.6°118.1°
CACCADCAKCAE16.8°0.0°
CACCADCAKHAK102.8°118.2°
HACCACOBCCAE176.9°176.1°
HACCACCADCAK158.5°161.1°
HACCACCADCAR87.7°80.7°
HACCACCADHAD34.6°43.0°
OBCCAECAKCAD51.2°34.8°
OBCCAECAKCAQ179.4°152.9°
OBCCAECAKCAB92.5°104.5°
OBCCAECAKHAE141.7°126.1°
OBCCAECAKHAK72.7°83.4°
OBCCAECABHAE141.6°126.3°
OBCCAECABCAH132.4°148.1°
CAKCADCARHAD124.8°123.7°
CAKCADCAROBA131.5°55.2°
CAKCADCAROBD47.2°124.8°
CADCAKCAQCAE121.1°112.5°
CADCAKCAQHAK122.1°123.8°
CADCAKCAEHAK124.0°118.2°
CADCAKCAQOBB173.3°132.7°
CADCAKCAQOAY2.7°47.3°
CADCAKCAECAB41.3°69.7°
CADCAKCAEHAE167.1°160.8°
CADCAROBAOBD178.6°180.0°
CADCAROBACAJ33.1°180.0°
CARCADCAKCAQ36.5°0.0°
CARCADCAKCAE95.2°118.2°
CARCADCAKHAK145.1°123.6°
HADCADCAROBA6.7°68.6°
HADCADCAROBD172.0°111.4°
HADCADCAKCAQ86.2°123.8°
HADCADCAKCAE142.1°118.1°
HADCADCAKHAK22.4°0.1°
CAROBACAJCAU164.2°180.0°
CAROBACAJHAJ144.2°60.0°
CAROBACAJHAJ270.3°60.0°
OBDCAROBACAJ145.5°0.0°
OBACAJCAUHAJ1120.0°120.0°
OBACAJCAUHAJ2125.4°119.9°
OBACAJHAJ1HAJ2127.5°120.0°
OBACAJCAUHAU114.7°180.0°
OBACAJCAUHAU2134.7°60.0°
OBACAJCAUHAU3105.3°60.0°
CAUCAJHAJ1HAJ2127.5°120.0°
CAJCAUHAU1HAU2120.0°120.1°
CAJCAUHAU1HAU3120.0°120.0°
CAJCAUHAU2HAU3120.0°120.0°
HAJ1CAJCAUHAU1105.3°60.0°
HAJ1CAJCAUHAU214.7°180.0°
HAJ1CAJCAUHAU3134.7°60.0°
HAJ2CAJCAUHAU1140.1°60.0°
HAJ2CAJCAUHAU299.9°60.0°
HAJ2CAJCAUHAU320.2°180.0°
HAU1CAUHAU2HAU3120.0°119.9°
CAQCAKCAEHAK107.8°123.7°
CAKCAQOBBOAY176.3°180.0°
CAKCAQOBBCAS42.4°179.9°
CAQCAKCAECAB87.0°48.4°
CAQCAKCAEHAE38.9°81.0°
CAECAKCAQOBB65.6°114.8°
CAECAKCAQOAY118.4°65.2°
CAKCAECABHAE125.8°129.0°
CAKCAECABCAH135.1°107.3°
HAKCAKCAQOBB51.2°9.0°
HAKCAKCAQOAY124.8°171.0°
HAKCAKCAECAB165.2°172.1°
HAKCAKCAEHAE68.9°42.6°
CAQOBBCASCAG64.7°176.2°
CAQOBBCASHAS1175.3°63.7°
CAQOBBCASHAS255.5°56.3°
OAYCAQOBBCAS141.3°0.1°
OBBCASCAGHAS1120.0°120.0°
OBBCASCAGHAS2120.2°119.9°
OBBCASHAS1HAS2120.2°119.9°
OBBCASCAGHAG122.6°59.9°
OBBCASCAGHAG2142.5°60.1°
OBBCASCAGHAG397.4°180.0°
CAGCASHAS1HAS2120.2°120.0°
CASCAGHAG1HAG2120.0°120.0°
CASCAGHAG1HAG3120.0°120.0°
CASCAGHAG2HAG3120.0°119.9°
HAS1CASCAGHAG197.5°180.0°
HAS1CASCAGHAG222.5°59.9°
HAS1CASCAGHAG3142.5°60.0°
HAS2CASCAGHAG1142.8°60.0°
HAS2CASCAGHAG297.3°180.0°
HAS2CASCAGHAG322.8°60.1°
HAG1CAGHAG2HAG3120.0°120.0°
CAECABCAHCAP101.3°127.5°
CAECABCAHCAM70.9°52.8°
HAECAECABCAH9.3°21.8°
CABCAHCAPCAM172.5°179.8°
CABCAHCAMCAW174.6°180.0°
CABCAHCAMHAM5.4°0.0°
CABCAHCAPCAX175.7°179.8°
CABCAHCAPHAP4.3°0.0°
CAPCAHCAMCAW2.6°0.2°
CAPCAHCAMHAM177.4°179.8°
CAHCAPCAXCAT1.6°0.5°
CAHCAPCAXHAP180.0°179.7°
CAHCAPCAXHAX178.4°179.8°
CAHCAMCAWHAM180.0°180.0°
CAHCAMCAWCAT0.5°0.0°
CAHCAMCAWHAW179.5°180.0°
CAMCAHCAPCAX3.2°0.5°
CAMCAHCAPHAP176.8°179.8°
CAMCAWCATHAW180.0°179.9°
CAMCAWCATCAX1.1°0.0°
CAMCAWCATOBE179.1°180.0°
HAMCAMCAWCAT179.6°180.0°
HAMCAMCAWHAW0.4°0.0°
CAWCATCAXOBE179.7°180.0°
CAWCATOBEHOBE138.6°90.1°
CAWCATCAXCAP0.6°0.2°
CAWCATCAXHAX179.4°180.0°
HAWCAWCATCAX178.8°180.0°
HAWCAWCATOBE0.9°0.0°
CAXCATOBEHOBE41.1°89.9°
CATCAXCAPHAX180.0°179.8°
CATCAXCAPHAP178.4°179.8°
OBECATCAXCAP179.7°179.8°
OBECATCAXHAX0.3°0.0°
HAXCAXCAPHAP1.6°0.0°

248636

PDB entries from 2026-02-04

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