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KFD

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NBECBDdoub1.31Å1.42ÅAromatic
NBECBFsing1.33Å1.34ÅAromatic
CBDCBCsing1.40Å1.41ÅAromatic
NBGCBFsing1.37Å1.33ÅAromatic
NBGCBHsing1.37Å1.31ÅAromatic
CBFCBJdoub1.41Å1.34ÅAromatic
CAZCAYdoub1.38Å1.37ÅAromatic
CAZCBAsing1.40Å1.40ÅAromatic
CBCCBAsing1.48Å1.40Å
CBCCBKdoub1.39Å1.39ÅAromatic
CAYCAXsing1.39Å1.38ÅAromatic
CBANBBdoub1.32Å1.35ÅAromatic
CBHCBIdoub1.34Å1.34ÅAromatic
CBJCBKsing1.39Å1.33ÅAromatic
CBJCBIsing1.46Å1.35ÅAromatic
CAXCAWdoub1.39Å1.37ÅAromatic
NBBCAWsing1.33Å1.33ÅAromatic
CAWCABsing1.48Å1.42Å
CABOAAdoub1.22Å1.24Å
CABNACsing1.35Å1.35Å
CAOCAPsing1.53Å1.48Å
CAOCANsing1.53Å1.51Å
NACCADsing1.40Å1.37Å
CAPNAKsing1.47Å1.44Å
CANCAMsing1.53Å1.53Å
NAKCAJsing1.40Å1.36Å
NAKCALsing1.47Å1.49Å
CAMCALsing1.53Å1.50Å
CADCAJdoub1.40Å1.43ÅAromatic
CADCAEsing1.38Å1.39ÅAromatic
CAJCAIsing1.38Å1.41ÅAromatic
CAECAFdoub1.40Å1.34ÅAromatic
CAICAHdoub1.39Å1.35ÅAromatic
CAFCAHsing1.40Å1.39ÅAromatic
CAFNBLsing1.36Å1.32ÅAromatic
CAHOBMsing1.35Å1.40ÅAromatic
NBLCAGdoub1.31Å1.34ÅAromatic
OBMCAGsing1.34Å1.37ÅAromatic
CAGNAQsing1.38Å1.33Å
CARNAQsing1.47Å1.50Å
CARCASsing1.53Å1.59Å
NAQCAVsing1.47Å1.52Å
CAVCAUsing1.53Å1.50Å
CASOATsing1.43Å1.43Å
CAUOATsing1.43Å1.49Å
CALH1sing1.09Å1.10Å
CALH2sing1.09Å1.10Å
CAMH3sing1.09Å1.10Å
CAMH4sing1.09Å1.10Å
CANH5sing1.09Å1.10Å
CANH6sing1.09Å1.10Å
CAOH7sing1.09Å1.10Å
CAOH8sing1.09Å1.10Å
CAPH9sing1.09Å1.10Å
CAPH10sing1.09Å1.10Å
CAIH11sing1.08Å1.08Å
CARH12sing1.09Å1.10Å
CARH13sing1.09Å1.10Å
CASH14sing1.09Å1.10Å
CASH15sing1.09Å1.10Å
CAUH16sing1.09Å1.10Å
CAUH17sing1.09Å1.10Å
CAVH18sing1.09Å1.10Å
CAVH19sing1.09Å1.10Å
CAEH20sing1.08Å1.08Å
NACH21sing0.97Å1.00Å
CAXH22sing1.08Å1.08Å
CAYH23sing1.08Å1.08Å
CAZH24sing1.08Å1.08Å
CBKH25sing1.08Å1.08Å
CBIH26sing1.08Å1.08Å
CBHH27sing1.08Å1.08Å
NBGH28sing0.97Å1.00Å
CBDH29sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBDNBECBF116.4°121.9°
NBECBDCBC120.7°121.4°
NBECBDH29119.6°119.3°
NBECBFNBG129.4°133.0°
NBECBFCBJ122.6°120.0°
CBDCBCCBA122.2°120.4°
CBDCBCCBK117.8°119.2°
CBCCBDH29119.7°119.4°
CBFNBGCBH109.5°110.1°
NBGCBFCBJ108.1°107.0°
CBFNBGH28125.3°124.9°
NBGCBHCBI107.4°109.9°
NBGCBHH27126.3°125.0°
CBHNBGH28125.2°125.0°
CBFCBJCBK123.2°119.6°
CBFCBJCBI106.3°106.2°
CAYCAZCBA120.1°119.2°
CAZCAYCAX117.2°118.6°
CAZCAYH23121.4°120.6°
CAYCAZH24119.9°120.4°
CAZCBACBC117.9°119.7°
CAZCBANBB119.4°120.7°
CBACAZH24120.0°120.4°
CBACBCCBK120.0°120.4°
CBCCBANBB122.7°119.6°
CBCCBKCBJ119.3°117.9°
CBCCBKH25120.4°121.0°
CAYCAXCAW122.5°119.2°
CAYCAXH22118.7°120.4°
CAXCAYH23121.4°120.7°
CBANBBCAW122.1°121.5°
CBHCBICBJ108.7°106.9°
CBHCBIH26125.6°126.5°
CBICBHH27126.3°125.1°
CBKCBJCBI130.5°134.2°
CBJCBKH25120.3°121.0°
CBJCBIH26125.7°126.6°
CAXCAWNBB118.6°120.7°
CAXCAWCAB120.4°119.6°
CAWCAXH22118.8°120.4°
NBBCAWCAB120.9°119.7°
CAWCABOAA121.3°120.0°
CAWCABNAC109.9°120.0°
OAACABNAC128.7°120.0°
CABNACCAD127.4°120.0°
CABNACH21116.3°120.0°
CAPCAOCAN110.3°109.3°
CAOCAPNAK112.7°109.5°
CAPCAOH7109.3°109.5°
CAPCAOH8109.3°109.5°
CAOCAPH9108.7°109.5°
CAOCAPH10108.7°109.4°
CAOCANCAM107.4°109.1°
CAOCANH5110.0°109.5°
CAOCANH6110.0°109.6°
CANCAOH7109.3°109.5°
CANCAOH8109.2°109.5°
NACCADCAJ116.0°119.9°
NACCADCAE125.8°119.9°
CADNACH21116.3°120.0°
CAPNAKCAJ118.4°111.0°
CAPNAKCAL118.8°111.2°
NAKCAPH9108.7°109.5°
NAKCAPH10108.7°109.5°
CANCAMCAL107.9°109.2°
CANCAMH3109.9°109.4°
CANCAMH4109.9°109.6°
CAMCANH5110.0°109.5°
CAMCANH6110.0°109.5°
CAJNAKCAL116.8°111.0°
NAKCAJCAD125.3°119.9°
NAKCAJCAI113.6°119.9°
NAKCALCAM114.6°109.5°
NAKCALH1108.2°109.5°
NAKCALH2108.2°109.5°
CAMCALH1108.2°109.4°
CAMCALH2108.2°109.5°
CALCAMH3109.8°109.5°
CALCAMH4109.9°109.5°
CAJCADCAE118.0°120.2°
CADCAJCAI120.8°120.2°
CADCAECAF119.5°119.8°
CADCAEH20120.2°120.1°
CAJCAICAH117.5°120.0°
CAJCAIH11121.3°120.0°
CAECAFCAH122.6°119.9°
CAECAFNBL128.1°133.5°
CAFCAEH20120.3°120.1°
CAICAHCAF121.2°120.0°
CAICAHOBM132.2°133.7°
CAHCAIH11121.2°120.1°
CAHCAFNBL109.3°106.6°
CAFCAHOBM106.6°106.4°
CAFNBLCAG107.7°108.7°
CAHOBMCAG104.7°108.3°
NBLCAGOBM111.2°110.1°
NBLCAGNAQ123.5°125.0°
OBMCAGNAQ124.6°125.0°
CAGNAQCAR119.4°111.0°
CAGNAQCAV118.8°111.0°
NAQCARCAS106.1°109.2°
CARNAQCAV121.0°110.8°
NAQCARH12110.3°109.5°
NAQCARH13110.3°109.5°
CARCASOAT117.3°109.3°
CASCARH12110.3°109.5°
CASCARH13110.3°109.5°
CARCASH14107.5°109.5°
CARCASH15107.5°109.5°
NAQCAVCAU109.9°109.2°
NAQCAVH18109.4°109.5°
NAQCAVH19109.4°109.5°
CAVCAUOAT112.3°109.3°
CAVCAUH16108.7°109.5°
CAVCAUH17108.8°109.5°
CAUCAVH18109.4°109.5°
CAUCAVH19109.3°109.5°
CASOATCAU125.9°113.7°
OATCASH14107.5°109.5°
OATCASH15107.5°109.6°
OATCAUH16108.8°109.5°
OATCAUH17108.7°109.5°
H1CALH2109.4°109.5°
H3CAMH4109.5°109.5°
H5CANH6109.5°109.6°
H7CAOH8109.5°109.5°
H9CAPH10109.5°109.4°
H12CARH13109.5°109.5°
H14CASH15109.4°109.5°
H16CAUH17109.5°109.6°
H18CAVH19109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NBECBDCBCH29180.0°179.5°
CBDNBECBFNBG179.0°179.7°
CBDNBECBFCBJ1.7°0.2°
NBECBDCBCCBA176.0°179.7°
NBECBDCBCCBK1.3°0.5°
CBFNBECBDCBC1.5°0.5°
NBECBFNBGCBJ179.4°180.0°
NBECBFNBGCBH177.6°180.0°
NBECBFCBJCBK1.7°0.1°
NBECBFCBJCBI178.1°180.0°
NBECBFNBGH282.4°0.1°
CBFNBECBDH29178.5°180.0°
CBDCBCCBACAZ30.8°0.3°
CBDCBCCBACBK177.3°179.8°
CBDCBCCBANBB150.2°179.9°
CBDCBCCBKCBJ1.2°0.2°
CBDCBCCBKH25178.8°179.7°
CBFNBGCBHH28180.0°179.9°
CBFNBGCBHCBI1.6°0.0°
NBGCBFCBJCBK178.8°180.0°
NBGCBFCBJCBI1.3°0.0°
CBFNBGCBHH27178.4°180.0°
CBHNBGCBFCBJ1.8°0.0°
NBGCBHCBIH27180.0°180.0°
NBGCBHCBICBJ0.7°0.0°
NBGCBHCBIH26179.3°180.0°
CBFCBJCBKCBC1.4°0.1°
CBFCBJCBICBH0.4°0.0°
CBFCBJCBKCBI179.8°179.9°
CBFCBJCBKH25178.6°180.0°
CBFCBJCBIH26179.6°180.0°
CBJCBFNBGH28178.2°179.9°
CAYCAZCBAH24180.0°179.8°
CAYCAZCBACBC179.0°179.9°
CAZCAYCAXH23180.0°179.9°
CAYCAZCBANBB0.0°0.3°
CAZCAYCAXCAW0.7°0.0°
CAZCAYCAXH22179.3°179.9°
CAZCBACBCNBB179.0°179.7°
CAZCBACBCCBK146.5°180.0°
CBACAZCAYCAX0.8°0.3°
CAZCBANBBCAW0.9°0.0°
CBACAZCAYH23179.2°179.7°
CBACBCCBKCBJ176.2°180.0°
CBCCBANBBCAW179.8°179.7°
CBCCBACAZH241.0°0.3°
CBACBCCBKH253.8°0.1°
CBACBCCBDH293.9°0.3°
CBKCBCCBANBB32.5°0.3°
CBCCBKCBJH25180.0°179.9°
CBCCBKCBJCBI178.4°180.0°
CBKCBCCBDH29178.7°180.0°
CAYCAXCAWH22180.0°179.9°
CAYCAXCAWNBB0.1°0.3°
CAYCAXCAWCAB178.1°180.0°
CAXCAYCAZH24179.2°180.0°
CBANBBCAWCAX1.0°0.2°
CBANBBCAWCAB178.9°180.0°
NBBCBACAZH24180.0°179.9°
CBHCBICBJCBK179.8°179.9°
CBHCBICBJH26180.0°180.0°
CBICBHNBGH28178.5°179.9°
CBKCBJCBIH260.2°0.1°
CBICBJCBKH251.6°0.1°
CBJCBICBHH27179.3°180.0°
CAXCAWNBBCAB178.0°179.7°
CAXCAWCABOAA12.1°0.3°
CAXCAWCABNAC165.7°179.7°
CAWCAXCAYH23179.3°179.9°
NBBCAWCABOAA169.9°180.0°
NBBCAWCABNAC12.2°0.0°
NBBCAWCAXH22179.9°179.7°
CAWCABOAANAC177.5°180.0°
CAWCABNACCAD174.4°175.5°
CAWCABNACH215.6°4.5°
CABCAWCAXH221.9°0.0°
OAACABNACCAD3.3°4.5°
OAACABNACH21176.7°175.5°
CABNACCADH21180.0°180.0°
CABNACCADCAJ179.0°145.0°
CABNACCADCAE5.2°34.7°
CAPCAOCANH7120.1°119.9°
CAPCAOCANH8120.1°120.0°
CAOCAPNAKH9120.5°120.1°
CAOCAPNAKH10120.5°120.0°
CAPCAOCANCAM66.8°57.7°
CAOCAPNAKCAJ170.3°174.2°
CAOCAPNAKCAL37.9°61.8°
CAPCAOCANH5173.5°62.2°
CAPCAOCANH652.9°177.6°
CAPCAOH7H8119.6°120.1°
CAOCAPH9H10118.5°120.0°
CANCAOCAPNAK52.9°59.2°
CAOCANCAMH5119.7°119.9°
CAOCANCAMH6119.7°119.9°
CAOCANCAMCAL63.0°57.7°
CAOCANCAMH356.8°177.6°
CAOCANCAMH4177.3°62.3°
CAOCANH5H6120.9°120.2°
CANCAOH7H8119.6°120.1°
CANCAOCAPH967.6°60.8°
CANCAOCAPH10173.3°179.2°
NACCADCAJNAK5.1°0.1°
NACCADCAJCAE174.3°179.7°
NACCADCAJCAI178.4°179.7°
NACCADCAECAF178.6°179.8°
NACCADCAEH201.4°0.1°
CAPNAKCAJCAL152.4°124.2°
CAPNAKCALCAM36.6°61.8°
CAPNAKCAJCAD87.6°119.7°
CAPNAKCAJCAI86.2°60.0°
CAPNAKCALH184.1°178.3°
CAPNAKCALH2157.4°58.3°
NAKCAPCAOH767.3°179.1°
NAKCAPCAOH8173.0°60.8°
NAKCAPH9H10118.5°120.0°
CANCAMCALNAK47.9°59.2°
CANCAMCALH3119.8°119.8°
CANCAMCALH4119.7°120.0°
CANCAMCALH172.8°179.2°
CANCAMCALH2168.7°60.8°
CANCAMH3H4120.7°120.1°
CAMCANH5H6121.0°120.1°
CAMCANCAOH753.4°177.6°
CAMCANCAOH8173.1°62.3°
CAJNAKCALCAM171.1°174.1°
NAKCAJCADCAI173.3°179.7°
NAKCAJCADCAE179.4°179.8°
NAKCAJCAICAH179.9°180.0°
CAJNAKCALH168.1°54.2°
CAJNAKCALH250.3°65.9°
CAJNAKCAPH969.2°65.8°
CAJNAKCAPH1049.9°54.2°
NAKCAJCAIH110.1°0.1°
NAKCALCAMH1120.8°120.0°
NAKCALCAMH2120.8°120.1°
CALNAKCAJCAD120.1°116.1°
CALNAKCAJCAI66.2°64.2°
NAKCALH1H2117.7°120.1°
NAKCALCAMH371.8°179.1°
NAKCALCAMH4167.7°60.8°
CALNAKCAPH982.6°58.3°
CALNAKCAPH10158.3°178.2°
CAMCALH1H2117.6°119.9°
CALCAMH3H4120.7°120.1°
CALCAMCANH5177.4°62.2°
CALCAMCANH656.7°177.6°
CAJCADCAECAF5.0°0.6°
CADCAJCAICAH5.9°0.3°
CADCAJCAIH11174.1°179.8°
CAJCADCAEH20175.0°179.7°
CAJCADNACH211.0°35.0°
CAECADCAJCAI7.3°0.6°
CADCAECAFH20180.0°179.7°
CADCAECAFCAH1.4°0.3°
CADCAECAFNBL178.0°179.7°
CAECADNACH21174.8°145.3°
CAJCAICAHH11180.0°179.9°
CAJCAICAHCAF2.2°0.0°
CAJCAICAHOBM176.9°180.0°
CAECAFCAHCAI0.1°0.0°
CAECAFCAHNBL179.5°180.0°
CAECAFCAHOBM179.3°180.0°
CAECAFNBLCAG175.9°180.0°
CAICAHCAFOBM179.3°180.0°
CAICAHCAFNBL179.6°180.0°
CAICAHOBMCAG176.5°180.0°
CAHCAFNBLCAG4.6°0.0°
CAFCAHOBMCAG2.7°0.0°
CAFCAHCAIH11177.8°179.9°
CAHCAFCAEH20178.6°180.0°
NBLCAFCAHOBM1.1°0.0°
CAFNBLCAGOBM6.5°0.0°
CAFNBLCAGNAQ178.1°180.0°
NBLCAFCAEH202.0°0.0°
CAHOBMCAGNBL5.6°0.0°
CAHOBMCAGNAQ177.1°180.0°
OBMCAHCAIH113.1°0.1°
NBLCAGOBMNAQ171.4°180.0°
NBLCAGNAQCAR0.7°123.6°
NBLCAGNAQCAV169.6°0.0°
OBMCAGNAQCAR171.1°56.4°
OBMCAGNAQCAV0.8°180.0°
CAGNAQCARCAV170.1°123.7°
CAGNAQCARCAS140.6°177.6°
CAGNAQCAVCAU132.4°177.6°
CAGNAQCARH12100.0°62.4°
CAGNAQCARH1321.1°57.7°
CAGNAQCAVH1812.3°57.7°
CAGNAQCAVH19107.6°62.5°
NAQCARCASH12119.5°119.9°
NAQCARCASH13119.5°120.0°
CARNAQCAVCAU57.5°58.6°
NAQCARCASOAT30.0°56.9°
NAQCARH12H13121.6°120.2°
NAQCARCASH14151.2°176.8°
NAQCARCASH1591.1°63.1°
CARNAQCAVH18177.6°178.6°
CARNAQCAVH1962.6°61.3°
CASCARNAQCAV49.3°58.6°
CARCASOATH14121.1°119.9°
CARCASOATH15121.2°120.0°
CARCASOATCAU24.5°58.7°
CASCARH12H13121.5°120.1°
CARCASH14H15116.5°120.0°
NAQCAVCAUH18120.1°119.9°
NAQCAVCAUH19120.1°119.9°
NAQCAVCAUOAT40.5°56.9°
CAVNAQCARH1270.1°61.3°
CAVNAQCARH13168.8°178.6°
NAQCAVCAUH1679.9°176.7°
NAQCAVCAUH17161.0°63.1°
NAQCAVH18H19119.8°120.1°
CAVCAUOATCAS29.7°58.7°
CAVCAUOATH16120.4°119.9°
CAVCAUOATH17120.5°120.0°
CAVCAUH16H17118.7°120.1°
CAUCAVH18H19119.8°120.1°
OATCASCARH1289.4°63.0°
OATCASCARH13149.5°176.8°
OATCASH14H15116.4°120.2°
CASOATCAUH1690.7°178.6°
CASOATCAUH17150.1°61.3°
CAUOATCASH14145.6°178.6°
CAUOATCASH1596.7°61.2°
OATCAUH16H17118.7°120.1°
OATCAUCAVH18160.6°176.8°
OATCAUCAVH1979.6°63.1°
H1CALCAMH3167.4°60.9°
H1CALCAMH446.9°59.2°
H2CALCAMH349.0°59.0°
H2CALCAMH471.6°179.1°
H3CAMCANH562.9°57.7°
H3CAMCANH6176.4°62.5°
H4CAMCANH557.6°177.8°
H4CAMCANH663.0°57.6°
H5CANCAOH766.3°57.7°
H5CANCAOH853.4°177.8°
H6CANCAOH7173.0°62.5°
H6CANCAOH867.2°57.6°
H7CAOCAPH9172.2°59.1°
H7CAOCAPH1053.2°60.9°
H8CAOCAPH952.4°179.2°
H8CAOCAPH1066.6°59.2°
H12CARCASH1431.7°56.9°
H12CARCASH15149.4°177.0°
H13CARCASH1489.3°63.2°
H13CARCASH1528.4°56.8°
H16CAUCAVH1840.2°63.3°
H16CAUCAVH19160.0°56.8°
H17CAUCAVH1879.0°56.8°
H17CAUCAVH1940.9°177.0°
H22CAXCAYH230.7°0.0°
H23CAYCAZH240.8°0.1°
H26CBICBHH270.7°0.1°
H27CBHNBGH281.5°0.1°

219140

PDB entries from 2024-05-01

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