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3D0

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBNCBOdoub1.38Å1.41ÅAromatic
CBNCBMsing1.38Å1.40ÅAromatic
CBOCBPsing1.38Å1.41ÅAromatic
CBMCBLdoub1.38Å1.40ÅAromatic
CBPCBQdoub1.38Å1.40ÅAromatic
CBLCBQsing1.38Å1.41ÅAromatic
CBLCBKsing1.51Å1.57Å
CBKCBGsing1.53Å1.55Å
NZCEsing1.47Å1.47Å
NBICBHsing1.35Å1.46Å
CECDsing1.53Å1.55Å
CBGNBEsing1.47Å1.46Å
CBGCBHsing1.51Å1.52Å
CDCGsing1.53Å1.56Å
NBECBDsing1.35Å1.47Å
CBHOBJdoub1.21Å1.19Å
CGCBsing1.53Å1.56Å
CBDCAZsing1.51Å1.54Å
CBDOBFdoub1.21Å1.20Å
CBCAsing1.53Å1.53Å
CAZCBAsing1.53Å1.54Å
CAZNAYsing1.47Å1.46Å
CBACBBsing1.53Å1.54Å
CBAOBCsing1.43Å1.40Å
CAXNAYsing1.47Å1.48Å
CAXCAGsing1.53Å1.54Å
CACsing1.51Å1.53Å
CANsing1.47Å1.45Å
CNAFsing1.35Å1.48Å
COdoub1.21Å1.19Å
NAFCAGsing1.46Å1.46Å
CAGCAHsing1.53Å1.54Å
NCABsing1.35Å1.46Å
CAHOAIsing1.43Å1.43Å
CABOAQdoub1.21Å1.19Å
CABCAAsing1.51Å1.54Å
OAICAJsing1.43Å1.43Å
CAJCAKsing1.51Å1.55Å
CAPCAKdoub1.38Å1.40ÅAromatic
CAPNAOsing1.32Å1.33ÅAromatic
CAKCALsing1.39Å1.40ÅAromatic
NAOCANdoub1.32Å1.33ÅAromatic
CALCAMdoub1.39Å1.39ÅAromatic
CANCAMsing1.38Å1.40ÅAromatic
CBMH1sing1.08Å1.08Å
CBNH2sing1.08Å1.08Å
CBOH3sing1.08Å1.08Å
CBPH4sing1.08Å1.08Å
CBQH5sing1.08Å1.08Å
CBKH6sing1.09Å1.10Å
CBKH7sing1.09Å1.10Å
CBGH8sing1.09Å1.10Å
NBIH9sing0.97Å1.00Å
NBIH10sing0.97Å1.00Å
NBEH11sing0.97Å1.00Å
CAZH12sing1.09Å1.10Å
CBAH13sing1.09Å1.10Å
CBBH14sing1.09Å1.10Å
CBBH15sing1.09Å1.10Å
CBBH16sing1.09Å1.10Å
OBCH17sing0.97Å0.95Å
NAYH18sing1.01Å1.00Å
CAXH20sing1.09Å1.10Å
CAXH21sing1.09Å1.10Å
CAGH22sing1.09Å1.10Å
NAFH23sing0.97Å1.00Å
CAH24sing1.09Å1.10Å
NH25sing0.97Å1.00Å
CAAH26sing1.09Å1.10Å
CAAH27sing1.09Å1.10Å
CAAH28sing1.09Å1.10Å
CBH29sing1.09Å1.10Å
CBH30sing1.09Å1.10Å
CGH31sing1.09Å1.10Å
CGH32sing1.09Å1.10Å
CDH33sing1.09Å1.10Å
CDH34sing1.09Å1.10Å
CEH35sing1.09Å1.10Å
CEH36sing1.09Å1.10Å
NZH37sing1.01Å1.00Å
NZH38sing1.01Å1.00Å
CAHH40sing1.09Å1.10Å
CAHH41sing1.09Å1.10Å
CAJH42sing1.09Å1.10Å
CAJH43sing1.09Å1.10Å
CALH44sing1.08Å1.08Å
CAMH45sing1.08Å1.08Å
CANH46sing1.08Å1.08Å
CAPH47sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBOCBNCBM119.8°120.0°
CBNCBOCBP119.7°120.0°
CBOCBNH2120.1°120.0°
CBNCBOH3120.2°120.0°
CBNCBMCBL121.3°120.0°
CBNCBMH1119.4°120.0°
CBMCBNH2120.1°120.0°
CBOCBPCBQ119.3°120.0°
CBPCBOH3120.2°120.0°
CBOCBPH4120.3°120.0°
CBMCBLCBQ118.5°120.0°
CBMCBLCBK118.9°119.9°
CBLCBMH1119.4°120.0°
CBPCBQCBL121.4°120.0°
CBQCBPH4120.3°120.0°
CBPCBQH5119.3°120.0°
CBQCBLCBK122.6°120.1°
CBLCBQH5119.3°119.9°
CBLCBKCBG112.3°109.5°
CBLCBKH6108.7°109.4°
CBLCBKH7108.8°109.5°
CBKCBGNBE104.0°109.4°
CBKCBGCBH113.4°109.5°
CBGCBKH6108.7°109.5°
CBGCBKH7108.8°109.5°
CBKCBGH8108.1°109.5°
NZCECD111.8°109.5°
NZCEH35108.8°109.5°
NZCEH36108.9°109.5°
CENZH37109.5°111.0°
CENZH38109.5°111.0°
NBICBHCBG120.4°120.0°
NBICBHOBJ120.1°120.0°
CBHNBIH9120.0°120.0°
CBHNBIH10120.0°120.0°
CECDCG112.4°109.5°
CECDH33108.7°109.5°
CECDH34108.7°109.5°
CDCEH35108.9°109.4°
CDCEH36108.9°109.4°
NBECBGCBH113.5°109.5°
CBGNBECBD131.3°119.9°
NBECBGH8109.2°109.5°
CBGNBEH11114.3°120.0°
CBGCBHOBJ119.5°120.0°
CBHCBGH8108.5°109.5°
CDCGCB111.9°109.5°
CDCGH31108.9°109.4°
CDCGH32108.9°109.5°
CGCDH33108.7°109.5°
CGCDH34108.8°109.5°
NBECBDCAZ113.6°119.9°
NBECBDOBF124.5°120.0°
CBDNBEH11114.3°120.1°
CGCBCA114.1°109.5°
CGCBH29108.3°109.5°
CGCBH30108.3°109.5°
CBCGH31108.9°109.5°
CBCGH32108.8°109.5°
CAZCBDOBF121.9°120.0°
CBDCAZCBA110.2°109.5°
CBDCAZNAY111.0°109.4°
CBDCAZH12107.8°109.5°
CBCAC108.1°109.5°
CBCAN113.3°109.5°
CBCAH24111.3°109.5°
CACBH29108.3°109.4°
CACBH30108.3°109.4°
CBACAZNAY111.3°109.4°
CAZCBACBB112.0°109.5°
CAZCBAOBC110.2°109.5°
CBACAZH12107.8°109.5°
CAZCBAH13108.0°109.5°
CAZNAYCAX108.0°110.9°
NAYCAZH12108.8°109.5°
CAZNAYH18109.9°111.0°
CBBCBAOBC108.9°109.4°
CBBCBAH13108.0°109.4°
CBACBBH14109.5°109.5°
CBACBBH15109.5°109.5°
CBACBBH16109.4°109.5°
OBCCBAH13109.8°109.5°
CBAOBCH17109.5°114.0°
NAYCAXCAG109.7°109.4°
CAXNAYH18109.9°111.0°
NAYCAXH20109.4°109.5°
NAYCAXH21109.4°109.5°
CAXCAGNAF112.2°109.5°
CAXCAGCAH111.8°109.5°
CAGCAXH20109.4°109.4°
CAGCAXH21109.4°109.5°
CAXCAGH22107.3°109.5°
CCAN99.5°109.5°
CACNAF114.2°120.0°
CACO121.5°120.0°
CCAH24111.4°109.5°
CANCAB121.8°120.0°
NCAH24112.6°109.4°
CANH25119.1°120.0°
NAFCO124.2°120.0°
CNAFCAG128.2°120.0°
CNAFH23115.9°120.0°
NAFCAGCAH109.7°109.5°
NAFCAGH22108.3°109.5°
CAGNAFH23115.9°120.0°
CAGCAHOAI109.0°109.5°
CAHCAGH22107.3°109.5°
CAGCAHH40109.6°109.5°
CAGCAHH41109.6°109.5°
NCABOAQ119.6°120.0°
NCABCAA120.0°120.0°
CABNH25119.1°120.0°
CAHOAICAJ115.5°114.0°
OAICAHH40109.6°109.5°
OAICAHH41109.6°109.4°
OAQCABCAA120.3°120.0°
CABCAAH26109.5°109.5°
CABCAAH27109.5°109.5°
CABCAAH28109.5°109.4°
OAICAJCAK108.7°109.5°
OAICAJH42109.7°109.5°
OAICAJH43109.7°109.5°
CAJCAKCAP120.0°120.4°
CAJCAKCAL120.5°120.4°
CAKCAJH42109.7°109.4°
CAKCAJH43109.7°109.5°
CAKCAPNAO120.8°120.7°
CAPCAKCAL119.5°119.2°
CAKCAPH47119.6°119.6°
CAPNAOCAN121.1°121.8°
NAOCAPH47119.6°119.7°
CAKCALCAM118.1°118.4°
CAKCALH44120.9°120.9°
NAOCANCAM121.4°120.8°
NAOCANH46119.3°119.6°
CALCAMCAN119.0°119.1°
CAMCALH44121.0°120.8°
CALCAMH45120.5°120.4°
CANCAMH45120.5°120.4°
CAMCANH46119.3°119.6°
H6CBKH7109.5°109.5°
H9NBIH10120.0°120.1°
H14CBBH15109.4°109.4°
H14CBBH16109.5°109.4°
H15CBBH16109.5°109.5°
H20CAXH21109.5°109.5°
H26CAAH27109.5°109.5°
H26CAAH28109.5°109.5°
H27CAAH28109.4°109.4°
H29CBH30109.5°109.5°
H31CGH32109.5°109.5°
H33CDH34109.5°109.4°
H35CEH36109.5°109.5°
H37NZH38109.4°111.0°
H40CAHH41109.5°109.5°
H42CAJH43109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CBOCBNCBMH2180.0°179.9°
CBNCBOCBPH3180.0°179.9°
CBOCBNCBMCBL0.9°0.1°
CBNCBOCBPCBQ0.3°0.1°
CBOCBNCBMH1179.1°179.8°
CBNCBOCBPH4179.7°180.0°
CBMCBNCBOCBP0.6°0.1°
CBNCBMCBLH1180.0°179.7°
CBNCBMCBLCBQ0.9°0.0°
CBNCBMCBLCBK179.7°179.7°
CBMCBNCBOH3179.4°180.0°
CBOCBPCBQH4180.0°179.9°
CBOCBPCBQCBL0.3°0.0°
CBPCBOCBNH2179.4°180.0°
CBOCBPCBQH5179.6°179.9°
CBMCBLCBQCBP0.7°0.1°
CBMCBLCBQCBK179.3°179.7°
CBMCBLCBKCBG121.2°90.0°
CBLCBMCBNH2179.1°180.0°
CBMCBLCBQH5179.3°180.0°
CBMCBLCBKH60.9°150.0°
CBMCBLCBKH7118.3°30.1°
CBPCBQCBLH5180.0°179.9°
CBPCBQCBLCBK180.0°179.8°
CBQCBPCBOH3179.7°180.0°
CBQCBLCBKCBG58.1°90.3°
CBQCBLCBMH1179.1°179.7°
CBLCBQCBPH4179.7°179.9°
CBQCBLCBKH6178.5°29.7°
CBQCBLCBKH762.4°149.6°
CBLCBKCBGH6120.4°119.9°
CBLCBKCBGH7120.4°120.0°
CBLCBKCBGNBE28.2°65.0°
CBLCBKCBGCBH152.0°175.1°
CBKCBLCBMH10.3°0.0°
CBKCBLCBQH50.0°0.3°
CBLCBKH6H7118.7°120.0°
CBLCBKCBGH887.8°55.0°
CBKCBGCBHNBI15.4°60.0°
CBKCBGNBECBH123.7°120.0°
CBKCBGNBEH8115.2°120.0°
CBKCBGCBHH8120.0°120.0°
CBKCBGNBECBD149.1°155.0°
CBKCBGCBHOBJ164.5°120.0°
CBGCBKH6H7118.7°120.1°
CBKCBGNBEH1130.9°25.0°
NZCECDH35120.3°120.0°
NZCECDH36120.4°120.0°
NZCECDCG161.0°180.0°
NZCECDH3340.6°60.0°
NZCECDH3478.5°60.0°
NZCEH35H36118.9°120.1°
CENZH37H38120.0°124.0°
NBICBHCBGNBE103.0°180.0°
NBICBHCBGOBJ179.9°180.0°
NBICBHCBGH8135.4°60.0°
CBHNBIH9H10180.0°180.0°
CECDCGH33120.4°120.0°
CECDCGH34120.4°120.0°
CECDCGCB164.9°180.0°
CECDCGH3174.7°60.0°
CECDCGH3244.6°60.0°
CECDH33H34118.6°120.0°
CDCEH35H36118.9°119.9°
CDCENZH37180.0°180.0°
CDCENZH3860.0°56.1°
NBECBGCBHH8121.6°120.0°
CBGNBECBDH11180.0°180.0°
NBECBGCBHOBJ77.1°0.1°
CBGNBECBDCAZ178.5°180.0°
CBGNBECBDOBF2.0°0.0°
NBECBGCBKH692.2°54.9°
NBECBGCBKH7148.6°175.0°
CBHCBGNBECBD25.4°85.0°
CBHCBGCBKH631.6°65.0°
CBHCBGCBKH787.6°55.0°
CBGCBHNBIH9179.9°0.0°
CBGCBHNBIH100.1°180.0°
CBHCBGNBEH11154.6°95.0°
CDCGCBH31120.3°120.0°
CDCGCBH32120.4°120.0°
CDCGCBCA177.7°NaN°
CDCGCBH2961.6°60.0°
CDCGCBH3057.0°60.0°
CDCGH31H32118.9°120.0°
CGCDH33H34118.7°120.0°
CGCDCEH3578.6°60.0°
CGCDCEH3640.7°60.0°
NBECBDCAZOBF179.6°180.0°
NBECBDCAZCBA65.5°60.0°
NBECBDCAZNAY170.8°180.0°
CBDNBECBGH895.8°35.0°
NBECBDCAZH1251.9°60.0°
OBJCBHCBGH844.5°120.0°
OBJCBHNBIH90.0°180.0°
OBJCBHNBIH10180.0°0.0°
CGCBCAH29120.7°120.0°
CGCBCAH30120.7°120.0°
CGCBCAC160.5°175.0°
CGCBCAN51.2°65.0°
CGCBCAH2476.8°55.0°
CGCBH29H30117.9°120.1°
CBCGH31H32118.9°120.0°
CBCGCDH3344.5°60.0°
CBCGCDH3474.7°60.0°
CBDCAZCBANAY123.5°119.9°
CBDCAZCBAH12117.3°120.0°
CBDCAZNAYH12118.4°120.0°
CBDCAZCBACBB27.5°65.7°
CBDCAZCBAOBC148.8°174.3°
CBDCAZNAYCAX104.3°137.5°
CAZCBDNBEH111.5°0.0°
CBDCAZCBAH1391.3°54.3°
CBDCAZNAYH1815.5°13.6°
OBFCBDCAZCBA114.9°120.0°
OBFCBDCAZNAY8.7°0.0°
OBFCBDNBEH11178.0°180.0°
OBFCBDCAZH12127.7°120.0°
CBCACN118.5°120.0°
CBCACH24122.6°120.0°
CBCANH24127.4°120.0°
CBCACNAF69.0°80.0°
CBCACO112.6°100.0°
CBCANCAB125.2°60.1°
CBCANH2554.8°120.0°
CACBH29H30117.9°120.0°
CACBCGH3157.4°60.0°
CACBCGH3261.9°60.0°
CBACAZNAYH12118.6°120.0°
CAZCBACBBOBC122.2°120.0°
CAZCBACBBH13118.7°120.0°
CAZCBAOBCH13118.8°120.0°
CBACAZNAYCAX132.6°102.6°
CAZCBACBBH14180.0°64.9°
CAZCBACBBH1560.0°175.1°
CAZCBACBBH1660.0°55.0°
CAZCBAOBCH17180.0°60.7°
CBACAZNAYH18107.6°133.6°
NAYCAZCBACBB96.1°54.2°
NAYCAZCBAOBC25.3°65.7°
CAZNAYCAXH18119.8°123.9°
CAZNAYCAXCAG173.1°174.6°
NAYCAZCBAH13145.2°174.3°
CAZNAYCAXH2053.1°54.7°
CAZNAYCAXH2166.8°65.4°
CBBCBAOBCH13118.0°119.9°
CBBCBACAZH12144.8°174.3°
CBACBBH14H15120.0°120.0°
CBACBBH14H16120.0°120.0°
CBACBBH15H16120.0°120.1°
CBBCBAOBCH1756.8°59.4°
OBCCBACAZH1293.8°54.3°
OBCCBACBBH1457.8°175.0°
OBCCBACBBH1562.1°55.0°
OBCCBACBBH16177.8°65.0°
NAYCAXCAGH20120.0°120.0°
NAYCAXCAGH21120.0°120.0°
NAYCAXCAGNAF119.4°55.0°
NAYCAXCAGCAH4.4°175.0°
CAXNAYCAZH1214.1°17.5°
NAYCAXH20H21119.9°120.1°
NAYCAXCAGH22121.8°65.0°
CAXCAGNAFC66.9°155.0°
CAXCAGNAFCAH124.9°120.0°
CAXCAGNAFH22118.3°120.0°
CAXCAGCAHH22117.4°120.0°
CAXCAGCAHOAI179.6°55.0°
CAGCAXNAYH1867.1°61.5°
CAGCAXH20H21119.9°120.0°
CAXCAGNAFH23113.1°24.9°
CAXCAGCAHH4059.7°175.0°
CAXCAGCAHH4160.5°65.0°
CCANH24118.0°120.0°
CACNAFO178.4°180.0°
CACNAFCAG178.8°180.0°
CCANCAB120.3°60.0°
CACNAFH231.2°0.0°
CCANH2559.7°119.9°
CCACBH2939.8°55.0°
CCACBH3078.8°65.0°
NCACNAF49.5°160.0°
NCACO129.0°20.0°
CANCABH25180.0°179.9°
CANCABOAQ3.2°0.0°
CANCABCAA177.7°180.0°
NCACBH2969.5°175.0°
NCACBH30171.9°55.0°
CNAFCAGH23180.0°179.9°
CNAFCAGCAH58.0°85.0°
CNAFCAGH22174.9°35.0°
NAFCCAH24168.4°40.0°
OCNAFCAG0.4°0.1°
OCNAFH23179.6°180.0°
OCCAH2410.1°140.0°
NAFCAGCAHH22117.4°120.0°
NAFCAGCAHOAI55.2°65.0°
NAFCAGCAXH200.7°175.0°
NAFCAGCAXH21120.6°65.0°
NAFCAGCAHH40175.1°55.0°
NAFCAGCAHH4164.7°175.0°
CAGCAHOAIH40119.9°120.0°
CAGCAHOAIH41119.9°120.0°
CAGCAHOAICAJ67.2°180.0°
CAHCAGCAXH20124.4°65.0°
CAHCAGCAXH21115.6°55.0°
CAHCAGNAFH23121.9°95.0°
CAGCAHH40H41120.2°120.0°
NCABOAQCAA179.0°180.0°
CABNCAH242.2°180.0°
NCABCAAH26179.0°90.0°
NCABCAAH2759.0°150.0°
NCABCAAH2861.0°30.0°
CAHOAICAJCAK71.8°180.0°
OAICAHCAGH2262.2°175.0°
OAICAHH40H41120.2°120.0°
CAHOAICAJH42168.3°60.0°
CAHOAICAJH4348.0°60.0°
OAQCABNH25176.8°180.0°
OAQCABCAAH260.0°90.0°
OAQCABCAAH27120.0°30.0°
OAQCABCAAH28120.0°150.0°
CAACABNH252.3°0.1°
CABCAAH26H27120.0°120.0°
CABCAAH26H28120.0°120.0°
CABCAAH27H28120.0°119.9°
OAICAJCAKH42119.9°120.0°
OAICAJCAKH43119.9°120.0°
OAICAJCAKCAP140.6°90.3°
OAICAJCAKCAL39.4°90.0°
CAJOAICAHH4052.7°60.0°
CAJOAICAHH41172.8°60.0°
OAICAJH42H43120.4°120.0°
CAJCAKCAPCAL180.0°179.7°
CAJCAKCAPNAO179.7°179.7°
CAJCAKCALCAM179.8°180.0°
CAKCAJH42H43120.4°120.0°
CAJCAKCALH440.2°0.0°
CAJCAKCAPH470.3°0.0°
CAKCAPNAOH47180.0°179.7°
CAKCAPNAOCAN0.3°0.6°
CAPCAKCALCAM0.2°0.3°
CAPCAKCAJH4299.6°149.7°
CAPCAKCAJH4320.7°29.7°
CAPCAKCALH44179.8°179.7°
NAOCAPCAKCAL0.3°0.6°
CAPNAOCANCAM0.2°0.4°
CAPNAOCANH46179.8°179.7°
CAKCALCAMH44180.0°180.0°
CAKCALCAMCAN0.1°0.1°
CALCAKCAJH4280.4°30.0°
CALCAKCAJH43159.3°150.0°
CAKCALCAMH45179.9°180.0°
CALCAKCAPH47179.7°179.7°
NAOCANCAMCAL0.1°0.1°
NAOCANCAMH46180.0°179.9°
NAOCANCAMH45179.9°180.0°
CANNAOCAPH47179.7°179.7°
CALCAMCANH45180.0°179.9°
CALCAMCANH46179.9°180.0°
CANCAMCALH44179.9°179.9°
H1CBMCBNH20.9°0.3°
H2CBNCBOH30.6°0.0°
H3CBOCBPH40.3°0.1°
H4CBPCBQH50.4°0.0°
H6CBKCBGH8151.8°174.9°
H7CBKCBGH832.7°65.0°
H8CBGNBEH1184.2°145.0°
H12CAZCBAH1326.0°65.7°
H12CAZNAYH18133.9°106.4°
H13CBACBBH1461.3°55.1°
H13CBACBBH15178.8°64.9°
H13CBACBBH1658.7°175.0°
H13CBAOBCH1761.2°179.3°
H14CBBH15H16120.0°119.9°
H18NAYCAXH20172.9°178.6°
H18NAYCAXH2153.0°58.5°
H20CAXCAGH22118.2°55.0°
H21CAXCAGH221.8°175.0°
H22CAGNAFH235.1°145.0°
H22CAGCAHH4057.7°65.0°
H22CAGCAHH41177.9°55.0°
H24CANH25177.8°0.0°
H24CACBH29162.5°65.0°
H24CACBH3043.9°175.0°
H26CAAH27H28120.0°120.0°
H29CBCGH31178.1°180.0°
H29CBCGH3258.7°60.0°
H30CBCGH3163.3°59.9°
H30CBCGH32177.4°179.9°
H31CGCDH33164.8°180.0°
H31CGCDH3445.7°60.0°
H32CGCDH3375.9°60.0°
H32CGCDH34165.0°180.0°
H33CDCEH35160.9°180.0°
H33CDCEH3679.8°60.0°
H34CDCEH3541.8°60.0°
H34CDCEH36161.1°180.0°
H35CENZH3759.6°60.1°
H35CENZH3860.3°176.0°
H36CENZH3759.7°60.0°
H36CENZH38179.6°63.9°
H44CALCAMH450.1°0.0°
H45CAMCANH460.1°0.1°

222926

PDB entries from 2024-07-24

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