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IAT

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OBBCAQsing1.36Å1.35Å
OBCCALsing1.36Å1.35Å
CAQCARdoub1.39Å1.39ÅAromatic
CAQCAPsing1.39Å1.38ÅAromatic
CAKCALdoub1.39Å1.39ÅAromatic
CAKCAJsing1.38Å1.40ÅAromatic
CARCASsing1.38Å1.39ÅAromatic
CAPCAOdoub1.38Å1.37ÅAromatic
CALCAMsing1.39Å1.40ÅAromatic
CAJCAIdoub1.40Å1.41ÅAromatic
CASCAHdoub1.40Å1.40ÅAromatic
CAOCAHsing1.40Å1.39ÅAromatic
CAMCANdoub1.38Å1.39ÅAromatic
CAHCAEsing1.47Å1.35Å
CAICANsing1.40Å1.40ÅAromatic
CAICAAsing1.47Å1.35Å
CAECAAdoub1.36Å1.35Å
CAECAFsing1.53Å1.43Å
CAACABsing1.53Å1.43Å
CAFOAGsing1.47Å1.43Å
CAFCADsing1.56Å1.44Å
CABOAGsing1.47Å1.43Å
CABCACsing1.56Å1.50Å
CAWCAXdoub1.38Å1.38ÅAromatic
CAWCAVsing1.39Å1.39ÅAromatic
CAXCAYsing1.39Å1.39ÅAromatic
CBJNBIdoub1.31Å1.33ÅAromatic
CBJNBFsing1.35Å1.35ÅAromatic
CADCACsing1.55Å1.58Å
CADSATsing1.81Å1.98Å
NBICBHsing1.33Å1.34ÅAromatic
OAUCAVsing1.36Å1.38Å
OAUSATsing1.52Å1.54Å
CAVCBAdoub1.39Å1.41ÅAromatic
NBFCAYsing1.40Å1.35Å
NBFNBGsing1.40Å1.35ÅAromatic
CAYCAZdoub1.39Å1.42ÅAromatic
SATOBDdoub1.42Å1.54Å
SATOBEdoub1.42Å1.52Å
CBHNBGdoub1.31Å1.34ÅAromatic
CBACAZsing1.38Å1.42ÅAromatic
CAWH1sing1.08Å1.08Å
CAXH2sing1.08Å1.08Å
CASH3sing1.08Å1.08Å
CAFH4sing1.09Å1.10Å
CAMH5sing1.08Å1.08Å
CANH6sing1.08Å1.08Å
CAOH7sing1.08Å1.08Å
CAPH8sing1.08Å1.08Å
CADH9sing1.09Å1.10Å
CACH10sing1.09Å1.10Å
CACH11sing1.09Å1.10Å
CABH12sing1.09Å1.10Å
CAZH13sing1.08Å1.08Å
CBAH14sing1.08Å1.08Å
CAJH15sing1.08Å1.08Å
CAKH16sing1.08Å1.08Å
OBCH17sing0.97Å0.95Å
OBBH18sing0.97Å0.95Å
CARH19sing1.08Å1.08Å
CBHH20sing1.08Å1.08Å
CBJH21sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OBBCAQCAR122.6°119.9°
OBBCAQCAP116.7°119.9°
CAQOBBH18109.5°114.0°
OBCCALCAK121.5°119.9°
OBCCALCAM118.8°119.9°
CALOBCH17109.5°114.0°
CARCAQCAP120.7°120.2°
CAQCARCAS119.6°120.1°
CAQCARH19120.2°119.9°
CAQCAPCAO119.2°120.1°
CAQCAPH8120.4°119.9°
CALCAKCAJ118.3°120.1°
CAKCALCAM119.7°120.2°
CALCAKH16120.9°119.9°
CAKCAJCAI123.2°119.9°
CAKCAJH15118.4°120.1°
CAJCAKH16120.8°120.0°
CARCASCAH120.2°119.9°
CARCASH3119.9°120.1°
CASCARH19120.2°120.0°
CAPCAOCAH121.9°119.8°
CAPCAOH7119.1°120.1°
CAOCAPH8120.4°120.0°
CALCAMCAN121.2°120.1°
CALCAMH5119.4°119.9°
CAJCAICAN117.1°119.8°
CAJCAICAA122.9°120.1°
CAICAJH15118.4°120.0°
CASCAHCAO118.3°119.8°
CASCAHCAE123.4°120.2°
CAHCASH3119.9°120.0°
CAOCAHCAE118.0°120.0°
CAHCAOH7119.1°120.1°
CAMCANCAI120.5°119.9°
CANCAMH5119.4°120.0°
CAMCANH6119.7°120.1°
CAHCAECAA133.7°127.0°
CAHCAECAF120.7°127.1°
CANCAICAA120.0°120.1°
CAICANH6119.8°120.0°
CAICAACAE130.7°127.0°
CAICAACAB125.6°127.0°
CAACAECAF105.5°105.9°
CAECAACAB103.5°106.0°
CAECAFOAG106.8°100.7°
CAECAFCAD112.6°105.1°
CAECAFH4113.5°115.6°
CAACABOAG106.6°100.7°
CAACABCAC109.2°105.1°
CAACABH12114.4°115.6°
OAGCAFCAD95.8°101.1°
CAFOAGCAB92.6°97.0°
OAGCAFH4113.4°115.9°
CAFCADCAC100.0°102.0°
CAFCADSAT94.4°110.9°
CADCAFH4113.2°116.2°
CAFCADH9114.8°110.9°
OAGCABCAC97.6°101.1°
OAGCABH12114.4°116.0°
CABCACCAD99.0°102.0°
CABCACH10112.0°110.9°
CABCACH11112.1°111.0°
CACCABH12113.3°116.2°
CAXCAWCAV122.3°120.1°
CAWCAXCAY120.8°119.9°
CAXCAWH1118.8°119.9°
CAWCAXH2119.6°120.1°
CAWCAVOAU110.0°120.0°
CAWCAVCBA118.8°120.0°
CAVCAWH1118.9°120.0°
CAXCAYNBF115.6°120.0°
CAXCAYCAZ118.0°120.0°
CAYCAXH2119.6°120.0°
NBICBJNBF108.5°108.0°
CBJNBICBH107.9°109.8°
NBICBJH21125.8°125.9°
CBJNBFCAY123.5°126.8°
CBJNBFNBG107.4°106.3°
NBFCBJH21125.7°126.0°
CACCADSAT125.6°110.9°
CACCADH9112.6°110.9°
CADCACH10112.0°111.0°
CADCACH11112.0°111.0°
CADSATOAU105.5°104.5°
CADSATOBD116.0°110.5°
CADSATOBE98.3°110.6°
SATCADH9107.8°110.8°
NBICBHNBG108.8°109.0°
NBICBHH20125.6°125.5°
CAVOAUSAT130.4°114.0°
OAUCAVCBA131.2°120.0°
OAUSATOBD108.1°104.3°
OAUSATOBE111.9°104.3°
CAVCBACAZ118.9°120.0°
CAVCBAH14120.6°120.0°
CAYNBFNBG129.1°126.8°
NBFCAYCAZ126.4°120.0°
NBFNBGCBH107.4°106.8°
CAYCAZCBA121.3°120.0°
CAYCAZH13119.3°120.0°
OBDSATOBE116.5°121.0°
NBGCBHH20125.6°125.5°
CBACAZH13119.4°120.0°
CAZCBAH14120.6°120.0°
H10CACH11109.5°110.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OBBCAQCARCAP179.6°179.6°
OBBCAQCARCAS179.1°179.9°
OBBCAQCAPCAO179.3°179.7°
OBBCAQCAPH80.7°0.1°
OBBCAQCARH190.9°0.0°
OBCCALCAKCAM179.1°179.7°
OBCCALCAKCAJ179.8°179.8°
OBCCALCAMCAN179.8°179.7°
OBCCALCAMH50.1°0.2°
OBCCALCAKH160.2°0.3°
CAQCARCASH19180.0°180.0°
CARCAQCAPCAO0.4°0.7°
CAQCARCASCAH1.2°0.0°
CAQCARCASH3178.7°179.8°
CARCAQCAPH8179.7°179.7°
CARCAQOBBH18180.0°90.0°
CAPCAQCARCAS0.5°0.4°
CAQCAPCAOH8180.0°179.6°
CAQCAPCAOCAH1.7°0.4°
CAQCAPCAOH7178.4°179.5°
CAPCAQOBBH180.3°89.6°
CAPCAQCARH19179.5°179.6°
CALCAKCAJH16180.0°180.0°
CALCAKCAJCAI0.9°0.1°
CAKCALCAMCAN0.7°0.0°
CAKCALCAMH5179.3°180.0°
CALCAKCAJH15179.0°180.0°
CAKCALOBCH17180.0°90.4°
CAJCAKCALCAM0.7°0.0°
CAKCAJCAIH15180.0°179.9°
CAKCAJCAICAN1.1°0.1°
CAKCAJCAICAA178.7°179.9°
CARCASCAHH3180.0°179.7°
CARCASCAHCAO3.1°0.3°
CARCASCAHCAE177.5°179.8°
CAPCAOCAHCAS3.4°0.1°
CAPCAOCAHH7180.0°179.9°
CAPCAOCAHCAE178.0°180.0°
CALCAMCANH5180.0°179.9°
CALCAMCANCAI0.9°0.0°
CALCAMCANH6179.1°179.9°
CAMCALCAKH16179.3°180.0°
CAMCALOBCH170.9°89.9°
CAJCAICANCAM1.1°0.0°
CAJCAICANCAA177.7°180.0°
CAJCAICAACAE30.9°65.0°
CAJCAICAACAB143.4°115.0°
CAJCAICANH6178.9°180.0°
CAICAJCAKH16179.0°180.0°
CASCAHCAOCAE174.6°180.0°
CASCAHCAECAA61.1°65.0°
CASCAHCAECAF122.5°114.7°
CASCAHCAOH7176.6°180.0°
CAHCASCARH19178.7°179.9°
CAOCAHCAECAA124.5°115.0°
CAOCAHCAECAF51.8°65.3°
CAOCAHCASH3176.9°180.0°
CAHCAOCAPH8178.3°180.0°
CAMCANCAIH6180.0°180.0°
CAMCANCAICAA178.8°180.0°
CAHCAECAACAI5.0°0.2°
CAHCAECAACAF176.7°179.7°
CAHCAECAACAB179.7°179.7°
CAHCAECAFOAG149.5°148.1°
CAHCAECAFCAD106.6°107.2°
CAECAHCASH32.5°0.0°
CAHCAECAFH423.7°22.4°
CAECAHCAOH72.0°0.1°
CANCAICAACAE151.5°115.0°
CANCAICAACAB34.1°65.0°
CAICANCAMH5179.1°180.0°
CANCAICAJH15178.9°180.0°
CAICAACAECAB175.3°180.0°
CAICAACAECAF171.7°180.0°
CAICAACABOAG141.6°147.9°
CAICAACABCAC113.9°107.5°
CAACAICANH61.2°0.0°
CAICAACABH1214.2°22.1°
CAACAICAJH151.3°0.0°
CAACAECAFOAG27.8°32.2°
CAACAECAFCAD76.1°72.5°
CAECAACABOAG33.9°32.2°
CAECAACABCAC70.6°72.5°
CAACAECAFH4153.6°157.9°
CAECAACABH12161.3°158.0°
CAFCAECAACAB3.5°0.0°
CAECAFOAGCAD115.8°107.9°
CAECAFOAGH4125.8°125.5°
CAECAFCADH4130.5°129.2°
CAECAFOAGCAB44.7°50.6°
CAECAFCADCAC64.3°69.6°
CAECAFCADSAT168.3°172.2°
CAECAFCADH956.4°48.5°
CAACABOAGCAF47.3°50.6°
CAACABOAGCAC112.7°107.9°
CAACABOAGH12127.4°125.6°
CAACABCACH12128.7°129.2°
CAACABCACCAD75.9°69.6°
CAACABCACH1042.4°172.2°
CAACABCACH11165.8°48.6°
OAGCAFCADH4118.6°126.4°
CAFOAGCABCAC65.5°57.3°
OAGCAFCADCAC46.6°34.8°
OAGCAFCADSAT80.7°83.4°
OAGCAFCADH9167.4°153.0°
CAFOAGCABH12174.7°176.1°
CADCAFOAGCAB71.1°57.3°
CAFCADCACCAB7.2°0.0°
CAFCADCACSAT102.8°118.2°
CAFCADCACH9122.3°118.2°
CAFCADSATH9117.9°123.7°
CAFCADSATOAU63.3°176.3°
CAFCADSATOBD56.2°64.7°
CAFCADSATOBE178.9°72.1°
CAFCADCACH10111.0°118.2°
CAFCADCACH11125.5°118.2°
OAGCABCACH12120.7°126.4°
OAGCABCACCAD34.7°34.7°
CABOAGCAFH4170.5°176.1°
OAGCABCACH10153.0°83.5°
OAGCABCACH1183.6°152.9°
CABCACCADH10118.2°118.2°
CABCACCADH11118.3°118.2°
CABCACCADSAT95.6°118.2°
CABCACCADH9129.6°118.2°
CABCACH10H11124.9°123.7°
CAXCAWCAVH1180.0°179.9°
CAWCAXCAYH2180.0°180.0°
CAXCAWCAVOAU179.3°179.7°
CAXCAWCAVCBA0.3°0.0°
CAWCAXCAYNBF179.2°179.9°
CAWCAXCAYCAZ0.5°0.0°
CAVCAWCAXCAY0.2°0.0°
CAWCAVOAUCBA178.9°179.8°
CAWCAVOAUSAT180.0°88.6°
CAWCAVCBACAZ0.3°0.0°
CAVCAWCAXH2179.8°180.0°
CAWCAVCBAH14179.7°180.0°
CAXCAYNBFCBJ40.3°179.7°
CAXCAYNBFCAZ179.7°179.9°
CAXCAYNBFNBG138.1°0.1°
CAXCAYCAZCBA0.4°0.1°
CAYCAXCAWH1179.9°179.9°
CAXCAYCAZH13179.6°180.0°
NBICBJNBFH21180.0°179.6°
NBICBJNBFCAY179.0°179.9°
NBICBJNBFNBG0.3°0.4°
CBJNBICBHNBG0.2°0.3°
CBJNBICBHH20179.8°179.7°
NBFCBJNBICBH0.0°0.4°
CBJNBFCAYNBG178.4°179.6°
CBJNBFCAYCAZ139.4°0.4°
CBJNBFNBGCBH0.4°0.3°
CACCADSATH9136.6°123.7°
CACCADSATOAU168.9°63.7°
CACCADSATOBD49.4°47.9°
CACCADSATOBE75.6°175.3°
CACCADCAFH4165.2°161.1°
CADCACH10H11124.9°123.7°
CADCACCABH12155.4°161.2°
CADSATOAUCAV178.8°74.7°
CADSATOAUOBD124.6°116.1°
CADSATOAUOBE105.8°116.1°
CADSATOBDOBE115.0°131.5°
SATCADCAFH437.9°43.0°
SATCADCACH10146.2°0.0°
SATCADCACH1122.7°123.6°
NBICBHNBGNBF0.4°0.0°
NBICBHNBGH20180.0°180.0°
CBHNBICBJH21180.0°180.0°
CAVOAUSATOBD54.2°169.2°
CAVOAUSATOBE75.4°41.4°
OAUCAVCBACAZ179.1°179.8°
OAUCAVCAWH10.7°0.2°
OAUCAVCBAH140.9°0.2°
SATOAUCAVCBA1.1°91.1°
OAUSATOBDOBE126.9°116.7°
OAUSATCADH954.5°60.0°
CAVCBACAZCAY0.0°0.0°
CAVCBACAZH14180.0°180.0°
CBACAVCAWH1179.7°180.0°
CAVCBACAZH13180.0°180.0°
CAYNBFNBGCBH179.1°180.0°
NBFCAYCAZCBA179.3°180.0°
NBFCAYCAXH20.8°0.1°
NBFCAYCAZH130.7°0.1°
CAYNBFCBJH211.0°0.3°
NBGNBFCAYCAZ42.2°180.0°
NBFNBGCBHH20179.6°180.0°
NBGNBFCBJH21179.7°180.0°
CAYCAZCBAH13180.0°180.0°
CAZCAYCAXH2179.5°180.0°
CAYCAZCBAH14180.0°180.0°
OBDSATCADH9174.1°171.6°
OBESATCADH961.0°51.6°
H1CAWCAXH20.2°0.1°
H3CASCARH191.3°0.2°
H4CAFCADH974.1°80.7°
H5CAMCANH60.9°0.0°
H7CAOCAPH81.7°0.1°
H9CADCACH1011.3°123.6°
H9CADCACH11112.1°0.0°
H10CACCABH1286.3°43.0°
H11CACCABH1237.1°80.6°
H13CAZCBAH140.0°0.0°
H15CAJCAKH161.0°0.0°

223532

PDB entries from 2024-08-07

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