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ED2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CABNBHsing1.46Å1.40Å
CABHABsing1.09Å1.10Å
CABHABAsing1.09Å1.10Å
CABHABBsing1.09Å1.10Å
CBCNBHsing1.37Å1.28ÅAromatic
NBHCAQsing1.35Å1.28ÅAromatic
CAQNAXdoub1.31Å1.29ÅAromatic
CAQHAQsing1.08Å1.08Å
CAPNAXsing1.34Å1.32ÅAromatic
CBCCAPdoub1.35Å1.31ÅAromatic
CAPHAPsing1.08Å1.08Å
CAWCBCsing1.51Å1.55Å
NBECAWsing1.46Å1.45Å
CAWHAWsing1.09Å1.10Å
CAWHAWAsing1.09Å1.10Å
CATNBEsing1.46Å1.47Å
NBECBBsing1.39Å1.29Å
CANCBBdoub1.39Å1.37ÅAromatic
CBBCAOsing1.39Å1.35ÅAromatic
CANCALsing1.38Å1.36ÅAromatic
CANHANsing1.08Å1.08Å
CALCAZdoub1.40Å1.35ÅAromatic
CALHALsing1.08Å1.08Å
CAZCAMsing1.40Å1.37ÅAromatic
CAZCAFsing1.43Å1.41Å
CAFNACtrip1.14Å1.12Å
CAOCAMdoub1.38Å1.36ÅAromatic
CAMHAMsing1.08Å1.08Å
CAOHAOsing1.08Å1.08Å
CATCAUsing1.53Å1.49Å
CATHATsing1.09Å1.10Å
CATHATAsing1.09Å1.10Å
NBFCAUsing1.47Å1.43Å
CAUHAUsing1.09Å1.10Å
CAUHAUAsing1.09Å1.10Å
CAVNBFsing1.46Å1.33Å
SBINBFsing1.66Å1.48Å
OAESBIdoub1.42Å1.40Å
SBIOADdoub1.42Å1.37Å
SBICBDsing1.76Å1.66Å
CASCBDdoub1.35Å1.27ÅAromatic
CBDNAYsing1.34Å1.31ÅAromatic
CASNBGsing1.37Å1.27ÅAromatic
CASHASsing1.08Å1.08Å
CAANBGsing1.46Å1.35Å
NBGCARsing1.35Å1.30ÅAromatic
CAAHAAsing1.09Å1.10Å
CAAHAAAsing1.09Å1.10Å
CAAHAABsing1.09Å1.10Å
NAYCARdoub1.31Å1.30ÅAromatic
CARHARsing1.08Å1.08Å
CBACAVsing1.51Å1.24Å
CAVHAVsing1.09Å1.10Å
CAVHAVAsing1.09Å1.10Å
CAKCBAdoub1.38Å1.37ÅAromatic
CBACAJsing1.38Å1.37ÅAromatic
CAJCAHdoub1.38Å1.37ÅAromatic
CAJHAJsing1.08Å1.08Å
CAGCAHsing1.38Å1.37ÅAromatic
CAHHAHsing1.08Å1.08Å
CAICAGdoub1.38Å1.35ÅAromatic
CAGHAGsing1.08Å1.08Å
CAKCAIsing1.38Å1.37ÅAromatic
CAIHAIsing1.08Å1.08Å
CAKHAKsing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NBHCABHAB109.5°109.5°
NBHCABHABA109.5°109.5°
NBHCABHABB109.5°109.5°
CABNBHCBC126.0°126.4°
CABNBHCAQ123.3°126.4°
HABCABHABA109.5°109.5°
HABCABHABB109.5°109.5°
HABACABHABB109.5°109.4°
CBCNBHCAQ110.7°107.2°
NBHCBCCAP104.3°106.8°
NBHCBCCAW124.9°126.6°
NBHCAQNAX109.9°108.7°
NBHCAQHAQ125.1°125.6°
NAXCAQHAQ125.0°125.7°
CAQNAXCAP103.5°109.2°
NAXCAPCBC111.5°108.1°
NAXCAPHAP124.3°125.9°
CBCCAPHAP124.2°126.0°
CAPCBCCAW130.7°126.6°
CBCCAWNBE116.9°109.5°
CBCCAWHAW107.1°109.4°
CBCCAWHAWA105.4°109.5°
NBECAWHAW107.0°109.5°
NBECAWHAWA105.3°109.5°
CAWNBECAT123.6°120.0°
CAWNBECBB119.7°120.0°
HAWCAWHAWA115.5°109.4°
CATNBECBB116.3°120.0°
NBECATCAU114.1°109.5°
NBECATHAT107.9°109.5°
NBECATHATA106.9°109.4°
NBECBBCAN118.7°119.9°
NBECBBCAO122.0°119.9°
CANCBBCAO119.3°120.1°
CBBCANCAL122.1°120.1°
CBBCANHAN118.9°120.0°
CBBCAOCAM118.5°120.1°
CBBCAOHAO120.8°120.0°
CALCANHAN119.0°119.9°
CANCALCAZ118.8°119.9°
CANCALHAL120.6°120.0°
CAZCALHAL120.6°120.1°
CALCAZCAM119.0°119.9°
CALCAZCAF121.1°120.1°
CAMCAZCAF119.9°120.1°
CAZCAMCAO122.4°119.9°
CAZCAMHAM118.8°120.1°
CAZCAFNAC178.1°179.9°
CAOCAMHAM118.8°120.1°
CAMCAOHAO120.7°120.0°
CAUCATHAT108.0°109.5°
CAUCATHATA106.9°109.5°
CATCAUNBF116.6°109.5°
CATCAUHAU107.2°109.5°
CATCAUHAUA105.5°109.5°
HATCATHATA113.2°109.5°
NBFCAUHAU107.1°109.4°
NBFCAUHAUA105.5°109.5°
CAUNBFCAV132.0°120.0°
CAUNBFSBI105.1°120.0°
HAUCAUHAUA115.2°109.5°
CAVNBFSBI112.6°120.0°
NBFCAVCBA134.4°109.5°
NBFCAVHAV101.9°109.5°
NBFCAVHAVA96.2°109.5°
NBFSBIOAE113.0°106.5°
NBFSBIOAD102.5°106.4°
NBFSBICBD104.5°107.2°
OAESBIOAD106.8°123.1°
OAESBICBD113.9°106.4°
OADSBICBD115.6°106.4°
SBICBDCAS118.3°126.0°
SBICBDNAY131.7°126.0°
CASCBDNAY109.6°108.0°
CBDCASNBG104.3°106.8°
CBDCASHAS127.8°126.6°
CBDNAYCAR109.0°109.3°
NBGCASHAS127.8°126.6°
CASNBGCAA118.5°126.4°
CASNBGCAR114.1°107.2°
CAANBGCAR127.3°126.4°
NBGCAAHAA109.5°109.5°
NBGCAAHAAA109.4°109.5°
NBGCAAHAAB109.4°109.5°
NBGCARNAY102.9°108.7°
NBGCARHAR128.6°125.7°
HAACAAHAAA109.5°109.4°
HAACAAHAAB109.5°109.5°
HAAACAAHAAB109.5°109.5°
NAYCARHAR128.6°125.7°
CBACAVHAV101.9°109.4°
CBACAVHAVA96.2°109.5°
CAVCBACAK131.2°120.0°
CAVCBACAJ108.8°120.0°
HAVCAVHAVA131.8°109.5°
CAKCBACAJ119.5°119.9°
CBACAKCAI121.2°120.1°
CBACAKHAK119.4°119.9°
CBACAJCAH119.4°120.0°
CBACAJHAJ120.3°120.0°
CAHCAJHAJ120.3°120.1°
CAJCAHCAG120.0°120.1°
CAJCAHHAH120.0°120.0°
CAGCAHHAH120.0°120.0°
CAHCAGCAI121.1°120.0°
CAHCAGHAG119.4°120.0°
CAICAGHAG119.5°120.0°
CAGCAICAK118.7°120.0°
CAGCAIHAI120.6°120.0°
CAKCAIHAI120.6°120.0°
CAICAKHAK119.4°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NBHCABHABHABA120.0°120.1°
NBHCABHABHABB120.0°120.0°
NBHCABHABAHABB120.0°120.0°
CABNBHCBCCAQ178.9°179.8°
CABNBHCAQNAX179.7°180.0°
CABNBHCAQHAQ0.3°0.0°
CABNBHCBCCAP178.9°179.9°
CABNBHCBCCAW1.0°0.0°
HABCABHABAHABB120.0°120.0°
HABCABNBHCBC139.1°95.2°
HABCABNBHCAQ39.7°85.1°
HABACABNBHCBC100.9°24.8°
HABACABNBHCAQ80.3°154.9°
HABBCABNBHCBC19.2°144.8°
HABBCABNBHCAQ159.6°34.9°
CBCNBHCAQNAX0.7°0.2°
CBCNBHCAQHAQ179.3°179.8°
NBHCBCCAPNAX2.8°0.4°
NBHCBCCAPCAW177.8°179.9°
NBHCBCCAPHAP177.2°179.8°
NBHCBCCAWNBE171.3°85.6°
NBHCBCCAWHAW51.3°154.4°
NBHCBCCAWHAWA72.2°34.5°
NBHCAQNAXHAQ180.0°180.0°
NBHCAQNAXCAP1.0°0.0°
CAQNBHCBCCAP2.1°0.4°
CAQNBHCBCCAW179.9°179.7°
CAQNAXCAPCBC2.4°0.3°
CAQNAXCAPHAP177.6°180.0°
HAQCAQNAXCAP179.0°180.0°
NAXCAPCBCHAP180.0°179.8°
NAXCAPCBCCAW179.4°179.7°
CAPCBCCAWNBE11.4°94.3°
CAPCBCCAWHAW131.3°25.7°
CAPCBCCAWHAWA105.2°145.7°
HAPCAPCBCCAW0.6°0.1°
CBCCAWNBEHAW120.0°120.0°
CBCCAWNBEHAWA116.6°120.0°
CBCCAWHAWHAWA117.0°119.9°
CBCCAWNBECAT109.8°94.3°
CBCCAWNBECBB77.9°85.8°
NBECAWHAWHAWA116.9°120.0°
CAWNBECATCBB172.5°180.0°
CAWNBECBBCAN169.5°114.3°
CAWNBECBBCAO10.2°65.9°
CAWNBECATCAU71.4°94.8°
CAWNBECATHAT168.6°145.2°
CAWNBECATHATA46.5°25.2°
HAWCAWNBECAT130.2°25.7°
HAWCAWNBECBB42.1°154.2°
HAWACAWNBECAT6.7°145.7°
HAWACAWNBECBB165.5°34.2°
CATNBECBBCAN3.3°65.7°
CATNBECBBCAO177.0°114.1°
NBECATCAUHAT120.0°120.0°
NBECATCAUHATA117.9°119.9°
NBECATHATHATA118.1°120.0°
NBECATCAUNBF145.2°176.0°
NBECATCAUHAU94.8°56.1°
NBECATCAUHAUA28.4°64.0°
NBECBBCANCAO179.8°179.8°
NBECBBCANCAL179.1°180.0°
NBECBBCANHAN0.9°0.0°
NBECBBCAOCAM179.9°179.8°
NBECBBCAOHAO0.1°0.1°
CBBNBECATCAU116.1°85.2°
CBBNBECATHAT3.9°34.8°
CBBNBECATHATA126.0°154.9°
CBBCANCALHAN180.0°180.0°
CBBCANCALCAZ1.2°0.0°
CBBCANCALHAL178.8°180.0°
CANCBBCAOCAM0.4°0.4°
CANCBBCAOHAO179.6°179.7°
CAOCBBCANCAL1.2°0.2°
CAOCBBCANHAN178.9°179.8°
CBBCAOCAMCAZ0.3°0.4°
CBBCAOCAMHAO180.0°179.9°
CBBCAOCAMHAM179.7°179.8°
CANCALCAZHAL180.0°180.0°
CANCALCAZCAM0.5°0.0°
CANCALCAZCAF179.2°180.0°
HANCANCALCAZ178.8°180.0°
HANCANCALHAL1.1°0.0°
CALCAZCAMCAF179.7°180.0°
CALCAZCAFNAC172.0°114.1°
CALCAZCAMCAO0.3°0.2°
CALCAZCAMHAM179.7°180.0°
HALCALCAZCAM179.6°180.0°
HALCALCAZCAF0.8°0.0°
CAMCAZCAFNAC8.4°65.9°
CAZCAMCAOHAM180.0°179.8°
CAZCAMCAOHAO179.7°179.7°
CAFCAZCAMCAO180.0°179.8°
CAFCAZCAMHAM0.0°0.0°
HAMCAMCAOHAO0.3°0.1°
CAUCATHATHATA118.1°120.0°
CATCAUNBFHAU120.0°120.0°
CATCAUNBFHAUA116.7°120.0°
CATCAUHAUHAUA117.1°120.0°
CATCAUNBFCAV24.6°85.7°
CATCAUNBFSBI165.8°94.2°
HATCATCAUNBF25.2°63.9°
HATCATCAUHAU145.2°176.1°
HATCATCAUHAUA91.5°56.1°
HATACATCAUNBF96.9°56.1°
HATACATCAUHAU23.1°63.9°
HATACATCAUHAUA146.4°176.1°
NBFCAUHAUHAUA117.1°120.0°
CAUNBFCAVSBI139.0°179.9°
CAUNBFSBIOAE127.6°17.0°
CAUNBFSBIOAD117.8°150.0°
CAUNBFSBICBD3.2°96.5°
CAUNBFCAVCBA81.6°84.2°
CAUNBFCAVHAV38.4°155.8°
CAUNBFCAVHAVA173.5°35.8°
HAUCAUNBFCAV95.4°154.3°
HAUCAUNBFSBI45.8°25.8°
HAUACAUNBFCAV141.4°34.3°
HAUACAUNBFSBI77.5°145.8°
CAVNBFSBIOAE22.1°162.9°
CAVNBFSBIOAD92.5°30.0°
CAVNBFSBICBD146.5°83.5°
NBFCAVCBAHAV120.0°120.0°
NBFCAVCBAHAVA104.9°120.1°
NBFCAVHAVHAVA109.6°120.0°
NBFCAVCBACAK94.4°93.8°
NBFCAVCBACAJ77.3°86.5°
NBFSBIOAEOAD111.9°123.0°
NBFSBIOAECBD119.1°114.1°
NBFSBIOADCBD113.1°114.1°
NBFSBICBDCAS59.5°89.8°
NBFSBICBDNAY112.5°90.0°
SBINBFCAVCBA139.4°95.8°
SBINBFCAVHAV100.6°24.2°
SBINBFCAVHAVA34.5°144.2°
OAESBIOADCBD128.0°122.9°
OAESBICBDCAS64.3°23.8°
OAESBICBDNAY123.6°156.5°
OADSBICBDCAS171.3°156.7°
OADSBICBDNAY0.7°23.6°
SBICBDCASNAY173.7°179.8°
SBICBDCASNBG177.5°180.0°
SBICBDCASHAS2.5°0.0°
SBICBDNAYCAR176.2°179.9°
CBDCASNBGHAS180.0°179.9°
CBDCASNBGCAA179.6°180.0°
CBDCASNBGCAR2.8°0.0°
CASCBDNAYCAR3.6°0.4°
NAYCBDCASNBG3.8°0.2°
NAYCBDCASHAS176.2°179.7°
CBDNAYCARNBG1.8°0.4°
CBDNAYCARHAR178.2°179.9°
CASNBGCAACAR177.3°180.0°
CASNBGCAAHAA141.5°90.0°
CASNBGCAAHAAA98.5°150.0°
CASNBGCAAHAAB21.5°30.0°
CASNBGCARNAY0.6°0.3°
CASNBGCARHAR179.4°180.0°
HASCASNBGCAA0.4°0.0°
HASCASNBGCAR177.2°180.0°
NBGCAAHAAHAAA120.0°120.0°
NBGCAAHAAHAAB120.0°120.0°
NBGCAAHAAAHAAB120.0°120.0°
CAANBGCARNAY178.0°179.8°
CAANBGCARHAR2.0°0.0°
CARNBGCAAHAA35.7°90.0°
CARNBGCAAHAAA84.2°30.0°
CARNBGCAAHAAB155.8°150.0°
NBGCARNAYHAR180.0°179.8°
HAACAAHAAAHAAB120.0°120.0°
CBACAVHAVHAVA109.6°120.0°
CAVCBACAKCAJ171.0°179.7°
CAVCBACAJCAH173.0°180.0°
CAVCBACAJHAJ7.1°0.1°
CAVCBACAKCAI171.2°179.7°
CAVCBACAKHAK8.8°0.0°
HAVCAVCBACAK25.5°146.2°
HAVCAVCBACAJ162.8°33.5°
HAVACAVCBACAK160.6°26.3°
HAVACAVCBACAJ27.7°153.4°
CAKCBACAJCAH0.1°0.3°
CAKCBACAJHAJ179.9°179.8°
CBACAKCAICAG0.3°0.5°
CBACAKCAIHAK180.0°179.8°
CBACAKCAIHAI179.7°179.7°
CBACAJCAHHAJ180.0°179.9°
CBACAJCAHCAG0.1°0.1°
CBACAJCAHHAH180.0°179.9°
CAJCBACAKCAI0.2°0.6°
CAJCBACAKHAK179.8°179.7°
CAJCAHCAGHAH180.0°180.0°
CAJCAHCAGCAI0.1°0.0°
CAJCAHCAGHAG179.9°179.9°
HAJCAJCAHCAG180.0°179.9°
HAJCAJCAHHAH0.0°0.1°
CAHCAGCAIHAG180.0°179.9°
CAHCAGCAICAK0.2°0.2°
CAHCAGCAIHAI179.8°180.0°
HAHCAHCAGCAI179.9°180.0°
HAHCAHCAGHAG0.1°0.1°
CAGCAICAKHAI180.0°179.8°
CAGCAICAKHAK179.7°179.8°
HAGCAGCAICAK179.8°179.7°
HAGCAGCAIHAI0.2°0.1°
HAICAICAKHAK0.3°0.0°

248636

PDB entries from 2026-02-04

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