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9BK

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NAUCAOdoub1.29Å1.34ÅAromatic
NAUCBEsing1.31Å1.35ÅAromatic
CAOSAYsing1.71Å1.66ÅAromatic
CABCBEsing1.51Å1.54Å
CBECBGdoub1.35Å1.35ÅAromatic
SAYCBGsing1.76Å1.71ÅAromatic
CBGCBFsing1.48Å1.35Å
CBFCAMdoub1.40Å1.40ÅAromatic
CBFCANsing1.39Å1.39ÅAromatic
CAMCAKsing1.38Å1.40ÅAromatic
CANCALdoub1.38Å1.41ÅAromatic
CAKCBDdoub1.38Å1.40ÅAromatic
CALCBDsing1.38Å1.40ÅAromatic
CBDCARsing1.51Å1.43Å
CARNAVsing1.46Å1.48Å
NAVCsing1.35Å1.36Å
CBCAsing1.54Å1.54Å
CBCGsing1.55Å1.51Å
COdoub1.21Å1.22Å
CCAsing1.51Å1.41Å
CANsing1.47Å1.51Å
CGOD1sing1.43Å1.43Å
CGCD2sing1.55Å1.53Å
NCD2sing1.47Å1.51Å
NCBCsing1.35Å1.36Å
OAICBCdoub1.21Å1.23Å
CBCCBJsing1.51Å1.57Å
CAECBLsing1.53Å1.54Å
CBJCBLsing1.53Å1.56Å
CBJNAWsing1.46Å1.47Å
CBLCACsing1.53Å1.55Å
CBLCADsing1.53Å1.54Å
NAWCBBsing1.35Å1.34Å
CBBOAHdoub1.21Å1.23Å
CBBCBMsing1.51Å1.56Å
CAQCBMsing1.53Å1.51Å
CAQCAPsing1.53Å1.51Å
CBMNAXsing1.47Å1.47Å
CBMCAPsing1.53Å1.51Å
NAXCAZsing1.35Å1.35Å
CAACAZsing1.51Å1.53Å
CAZOAFdoub1.21Å1.23Å
CAAH1sing1.09Å1.10Å
CAAH2sing1.09Å1.10Å
CAAH3sing1.09Å1.10Å
NAXH4sing0.97Å1.00Å
CAPH5sing1.09Å1.10Å
CAPH6sing1.09Å1.10Å
CAQH7sing1.09Å1.10Å
CAQH8sing1.09Å1.10Å
NAWH9sing0.97Å1.00Å
CBJH10sing1.09Å1.10Å
CAEH11sing1.09Å1.10Å
CAEH12sing1.09Å1.10Å
CAEH13sing1.09Å1.10Å
CACH14sing1.09Å1.10Å
CACH15sing1.09Å1.10Å
CACH16sing1.09Å1.10Å
CADH17sing1.09Å1.10Å
CADH18sing1.09Å1.10Å
CADH19sing1.09Å1.10Å
CD2H20sing1.09Å1.10Å
CD2H21sing1.09Å1.10Å
CGH22sing1.09Å1.10Å
OD1H23sing0.97Å0.95Å
CBH24sing1.09Å1.10Å
CBH25sing1.09Å1.10Å
CAH26sing1.09Å1.10Å
NAVH27sing0.97Å1.00Å
CARH28sing1.09Å1.10Å
CARH29sing1.09Å1.10Å
CAKH30sing1.08Å1.08Å
CAMH31sing1.08Å1.08Å
CALH32sing1.08Å1.08Å
CANH33sing1.08Å1.08Å
CAOH34sing1.08Å1.08Å
CABH35sing1.09Å1.10Å
CABH36sing1.09Å1.10Å
CABH37sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAONAUCBE115.0°117.3°
NAUCAOSAY108.4°110.3°
NAUCAOH34125.8°124.8°
NAUCBECAB119.4°122.9°
NAUCBECBG115.1°114.2°
CAOSAYCBG95.2°90.3°
SAYCAOH34125.8°124.8°
CABCBECBG125.4°122.9°
CBECABH35109.5°109.5°
CBECABH36109.4°109.4°
CBECABH37109.4°109.5°
CBECBGSAY106.3°107.8°
CBECBGCBF128.0°126.1°
SAYCBGCBF125.7°126.1°
CBGCBFCAM122.4°120.1°
CBGCBFCAN120.3°120.1°
CAMCBFCAN117.3°119.7°
CBFCAMCAK121.4°119.8°
CBFCAMH31119.3°120.1°
CBFCANCAL121.3°119.9°
CBFCANH33119.3°120.1°
CAMCAKCBD121.2°120.1°
CAMCAKH30119.4°119.9°
CAKCAMH31119.3°120.0°
CANCALCBD121.3°120.1°
CANCALH32119.4°119.9°
CALCANH33119.4°120.0°
CAKCBDCAL117.4°120.3°
CAKCBDCAR119.9°119.8°
CBDCAKH30119.4°120.0°
CALCBDCAR122.7°119.9°
CBDCALH32119.3°120.0°
CBDCARNAV112.3°109.5°
CBDCARH28108.8°109.5°
CBDCARH29108.7°109.5°
CARNAVC124.3°120.0°
CARNAVH27117.9°120.0°
NAVCARH28108.8°109.5°
NAVCARH29108.8°109.5°
NAVCO123.5°120.0°
NAVCCA115.7°120.0°
CNAVH27117.9°120.0°
CACBCG105.9°103.0°
CBCAC108.6°109.9°
CBCAN105.4°107.3°
CACBH24110.4°110.8°
CACBH25110.4°110.7°
CBCAH26108.6°109.9°
CBCGOD1110.0°111.0°
CBCGCD2104.3°101.6°
CBCGH22110.5°111.0°
CGCBH24110.4°111.0°
CGCBH25110.4°110.4°
OCCA120.7°120.0°
CCAN114.5°110.2°
CCAH26110.5°110.0°
CANCD2108.2°108.7°
CANCBC121.7°125.7°
NCAH26109.0°109.6°
OD1CGCD2109.9°111.0°
OD1CGH22111.7°110.9°
CGOD1H23109.5°114.0°
CGCD2N105.3°104.8°
CGCD2H20110.5°110.4°
CGCD2H21110.5°110.4°
CD2CGH22110.3°111.0°
CD2NCBC130.0°125.6°
NCD2H20110.5°110.4°
NCD2H21110.5°110.4°
NCBCOAI121.5°120.0°
NCBCCBJ118.7°120.0°
OAICBCCBJ119.8°120.0°
CBCCBJCBL113.0°109.5°
CBCCBJNAW107.3°109.5°
CBCCBJH10108.6°109.5°
CAECBLCBJ112.2°109.5°
CAECBLCAC108.5°109.5°
CAECBLCAD107.1°109.5°
CBLCAEH11109.5°109.5°
CBLCAEH12109.5°109.5°
CBLCAEH13109.5°109.4°
CBLCBJNAW109.2°109.5°
CBJCBLCAC111.7°109.4°
CBJCBLCAD108.9°109.5°
CBLCBJH10108.8°109.4°
CBJNAWCBB125.3°120.1°
CBJNAWH9117.3°120.0°
NAWCBJH10109.9°109.5°
CACCBLCAD108.3°109.5°
CBLCACH14109.5°109.5°
CBLCACH15109.5°109.5°
CBLCACH16109.5°109.5°
CBLCADH17109.5°109.4°
CBLCADH18109.5°109.4°
CBLCADH19109.4°109.4°
NAWCBBOAH124.2°119.9°
NAWCBBCBM116.1°120.1°
CBBNAWH9117.3°119.9°
OAHCBBCBM119.6°120.0°
CBBCBMCAQ119.0°117.5°
CBBCBMNAX115.8°115.6°
CBBCBMCAP118.0°117.5°
CBMCAQCAP59.8°60.0°
CAQCBMNAX118.7°117.5°
CAQCBMCAP60.1°60.0°
CBMCAQH7120.0°117.5°
CBMCAQH8120.0°117.5°
CAQCAPCBM60.1°60.0°
CAQCAPH5120.0°117.5°
CAQCAPH6120.0°117.5°
CAPCAQH7120.0°117.5°
CAPCAQH8120.0°117.5°
NAXCBMCAP113.4°117.5°
CBMNAXCAZ121.6°120.0°
CBMNAXH4119.2°120.0°
CBMCAPH5120.0°117.5°
CBMCAPH6120.0°117.5°
NAXCAZCAA115.9°120.0°
NAXCAZOAF123.8°120.0°
CAZNAXH4119.2°120.0°
CAACAZOAF120.3°120.0°
CAZCAAH1109.5°109.5°
CAZCAAH2109.5°109.4°
CAZCAAH3109.5°109.5°
H1CAAH2109.5°109.5°
H1CAAH3109.4°109.5°
H2CAAH3109.5°109.5°
H5CAPH6109.5°115.6°
H7CAQH8109.5°115.5°
H11CAEH12109.4°109.4°
H11CAEH13109.5°109.5°
H12CAEH13109.5°109.5°
H14CACH15109.5°109.5°
H14CACH16109.4°109.4°
H15CACH16109.5°109.4°
H17CADH18109.5°109.5°
H17CADH19109.5°109.5°
H18CADH19109.5°109.5°
H20CD2H21109.5°110.3°
H24CBH25109.5°110.7°
H28CARH29109.5°109.4°
H35CABH36109.5°109.5°
H35CABH37109.4°109.5°
H36CABH37109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NAUCAOSAYH34180.0°179.9°
CAONAUCBECAB179.9°180.0°
CAONAUCBECBG0.2°0.6°
NAUCAOSAYCBG0.3°0.1°
CBENAUCAOSAY0.1°0.4°
NAUCBECABCBG179.6°179.4°
NAUCBECBGSAY0.4°0.5°
NAUCBECBGCBF179.5°179.7°
CBENAUCAOH34179.9°179.7°
NAUCBECABH350.0°95.3°
NAUCBECABH36120.0°144.7°
NAUCBECABH37120.0°24.7°
CAOSAYCBGCBE0.4°0.2°
CAOSAYCBGCBF179.5°180.0°
CABCBECBGSAY179.9°179.9°
CABCBECBGCBF0.2°0.3°
CBECABH35H36120.0°120.0°
CBECABH35H37120.0°120.0°
CBECABH36H37120.0°120.0°
CBECBGSAYCBF179.9°179.8°
CBECBGCBFCAM43.1°133.5°
CBECBGCBFCAN137.7°46.8°
CBGCBECABH35179.6°85.3°
CBGCBECABH3659.6°34.7°
CBGCBECABH3760.4°154.7°
SAYCBGCBFCAM136.8°46.7°
SAYCBGCBFCAN42.4°132.9°
CBGSAYCAOH34179.7°180.0°
CBGCBFCAMCAN179.2°179.7°
CBGCBFCAMCAK180.0°180.0°
CBGCBFCANCAL179.8°179.9°
CBGCBFCAMH310.1°0.0°
CBGCBFCANH330.2°0.1°
CBFCAMCAKH31180.0°180.0°
CAMCBFCANCAL1.0°0.4°
CBFCAMCAKCBD0.3°0.0°
CBFCAMCAKH30179.7°180.0°
CAMCBFCANH33179.0°179.8°
CANCBFCAMCAK0.9°0.3°
CBFCANCALH33180.0°179.8°
CBFCANCALCBD0.7°0.1°
CANCBFCAMH31179.1°179.7°
CBFCANCALH32179.3°179.9°
CAMCAKCBDH30180.0°180.0°
CAMCAKCBDCAL0.1°0.2°
CAMCAKCBDCAR179.9°180.0°
CANCALCBDCAK0.1°0.2°
CANCALCBDH32180.0°180.0°
CANCALCBDCAR179.9°180.0°
CAKCBDCALCAR180.0°179.8°
CAKCBDCARNAV160.2°90.0°
CAKCBDCARH2879.4°30.1°
CAKCBDCARH2939.8°150.0°
CBDCAKCAMH31179.6°180.0°
CAKCBDCALH32179.9°179.8°
CALCBDCARNAV19.8°90.3°
CALCBDCARH28100.6°149.7°
CALCBDCARH29140.2°29.8°
CALCBDCAKH30179.9°179.7°
CBDCALCANH33179.3°180.0°
CBDCARNAVH28120.4°120.0°
CBDCARNAVH29120.4°120.0°
CBDCARNAVC95.8°180.0°
CBDCARNAVH2784.2°0.0°
CBDCARH28H29118.7°119.9°
CARCBDCAKH300.1°0.1°
CARCBDCALH320.1°0.0°
CARNAVCH27180.0°180.0°
CARNAVCO0.2°0.1°
CARNAVCCA176.4°180.0°
NAVCARH28H29118.7°120.0°
NAVCCACB92.1°61.4°
NAVCOCA176.0°179.9°
NAVCCAN150.5°179.4°
NAVCCAH2627.0°59.7°
CNAVCARH28143.8°60.0°
CNAVCARH2924.6°60.0°
CACBCGH24119.4°118.6°
CACBCGH25119.5°118.3°
CBCACO84.2°118.5°
CBCACN117.5°118.0°
CBCACH26119.0°121.1°
CBCANH26116.5°119.2°
CACBCGOD185.7°82.8°
CACBCGCD232.1°35.3°
CBCANCD20.3°1.5°
CBCANCBC177.3°178.8°
CACBCGH22150.6°153.4°
CACBH24H25121.7°123.3°
CGCBCAC143.3°141.6°
CGCBCAN20.2°21.8°
CBCGOD1CD2114.2°112.2°
CBCGOD1H22123.0°123.9°
CBCGCD2H22118.6°118.1°
CBCGCD2N31.8°37.0°
CBCGCD2H2087.5°155.9°
CBCGCD2H21151.1°81.9°
CBCGOD1H23180.0°173.6°
CGCBH24H25121.6°122.9°
CGCBCAH2696.5°97.3°
OCCAN33.2°0.5°
OCCAH26156.7°120.4°
OCNAVH27179.7°180.0°
CCANH26124.3°121.1°
CCANCD2119.5°118.2°
CCANCBC63.5°61.5°
CCACBH2423.8°99.7°
CCACBH2597.3°23.6°
CACNAVH273.5°0.1°
CANCD2CG19.5°24.4°
CANCD2CBC176.7°179.7°
CANCBCOAI1.9°3.3°
CANCBCCBJ177.9°176.7°
CANCD2H2099.9°143.3°
CANCD2H21138.8°94.5°
NCACBH2499.3°140.5°
NCACBH25139.6°96.2°
OD1CGCD2H22123.6°123.8°
OD1CGCD2N86.0°81.1°
OD1CGCD2H20154.7°37.8°
OD1CGCD2H2133.3°160.0°
OD1CGCBH24154.9°35.8°
OD1CGCBH2533.8°158.9°
CGCD2NH20119.3°118.9°
CGCD2NH21119.3°118.9°
CGCD2NCBC157.2°155.9°
CGCD2H20H21121.9°122.3°
CD2CGOD1H2365.8°61.4°
CD2CGCBH2487.3°153.8°
CD2CGCBH25151.6°83.0°
CD2NCBCOAI178.2°176.3°
CD2NCBCCBJ1.6°3.7°
NCD2H20H21121.9°122.2°
NCD2CGH22150.4°155.1°
CD2NCAH26116.2°120.7°
NCBCOAICBJ179.8°180.0°
NCBCCBJCBL99.7°90.4°
NCBCCBJNAW139.8°149.5°
NCBCCBJH1021.0°29.5°
CBCNCD2H2083.4°37.1°
CBCNCD2H2137.9°85.1°
CBCNCAH2660.8°59.6°
OAICBCCBJCBL80.5°89.6°
OAICBCCBJNAW40.0°30.4°
OAICBCCBJH10158.8°150.5°
CBCCBJCBLCAE52.1°176.1°
CBCCBJCBLNAW119.4°120.0°
CBCCBJCBLH10120.6°120.0°
CBCCBJNAWH10117.9°120.0°
CBCCBJCBLCAC70.0°63.9°
CBCCBJCBLCAD170.5°56.1°
CBCCBJNAWCBB113.2°155.0°
CBCCBJNAWH966.8°25.0°
CAECBLCBJCAC122.1°120.0°
CAECBLCBJCAD118.3°120.0°
CAECBLCBJNAW171.5°63.8°
CAECBLCACCAD115.9°120.0°
CAECBLCBJH1068.5°56.1°
CBLCAEH11H12120.0°120.0°
CBLCAEH11H13120.0°120.0°
CBLCAEH12H13120.0°120.0°
CAECBLCACH14180.0°180.0°
CAECBLCACH1560.0°60.0°
CAECBLCACH1660.0°60.0°
CAECBLCADH17180.0°56.4°
CAECBLCADH1860.0°63.6°
CAECBLCADH1960.0°176.3°
CBLCBJNAWH10119.3°119.9°
CBJCBLCACCAD119.9°120.0°
CBLCBJNAWCBB124.0°85.0°
CBLCBJNAWH956.0°95.0°
CBJCBLCAEH11180.0°60.0°
CBJCBLCAEH1260.0°180.0°
CBJCBLCAEH1360.0°60.0°
CBJCBLCACH1455.8°60.0°
CBJCBLCACH1564.2°180.0°
CBJCBLCACH16175.8°60.0°
CBJCBLCADH1758.5°63.7°
CBJCBLCADH18178.5°176.4°
CBJCBLCADH1961.5°56.3°
NAWCBJCBLCAC49.4°56.2°
NAWCBJCBLCAD70.1°176.2°
CBJNAWCBBH9180.0°180.0°
CBJNAWCBBOAH2.3°2.6°
CBJNAWCBBCBM179.8°177.4°
CACCBLCBJH10169.3°176.1°
CACCBLCAEH1156.0°60.0°
CACCBLCAEH1263.9°60.0°
CACCBLCAEH13176.1°180.0°
CBLCACH14H15120.0°120.0°
CBLCACH14H16120.0°120.0°
CBLCACH15H16120.0°120.1°
CACCBLCADH1763.2°176.4°
CACCBLCADH1856.9°56.4°
CACCBLCADH19176.8°63.7°
CADCBLCBJH1049.8°63.9°
CADCBLCAEH1160.6°180.0°
CADCBLCAEH12179.4°60.0°
CADCBLCAEH1359.4°60.0°
CADCBLCACH1464.1°60.0°
CADCBLCACH15175.9°60.0°
CADCBLCACH1655.9°180.0°
CBLCADH17H18120.0°120.0°
CBLCADH17H19120.0°119.9°
CBLCADH18H19120.0°120.0°
NAWCBBOAHCBM177.4°180.0°
NAWCBBCBMCAQ138.2°110.8°
NAWCBBCBMNAX13.3°34.9°
NAWCBBCBMCAP152.4°179.4°
CBBNAWCBJH104.7°35.0°
OAHCBBCBMCAQ44.3°69.3°
OAHCBBCBMNAX164.3°145.0°
OAHCBBCBMCAP25.2°0.6°
OAHCBBNAWH9177.7°177.4°
CBBCBMCAQNAX150.6°145.1°
CBBCBMCAQCAP107.4°107.5°
CBBCBMNAXCAP140.9°145.7°
CBBCBMNAXCAZ67.4°88.5°
CBBCBMNAXH4112.6°91.4°
CBBCBMCAPH50.3°145.0°
CBBCBMCAPH6141.4°0.0°
CBBCBMCAQH72.0°0.0°
CBBCBMCAQH8143.1°145.1°
CBMCBBNAWH90.2°2.6°
CBMCAQCAPH7109.4°107.5°
CBMCAQCAPH8109.4°107.5°
CAQCBMNAXCAP67.5°68.6°
CAQCBMNAXCAZ141.0°125.8°
CAQCBMNAXH439.0°54.4°
CBMCAQCAPH5109.5°107.4°
CBMCAQCAPH6109.5°107.4°
CBMCAQH7H8144.8°145.7°
CAQCAPH5H6144.7°145.8°
CAPCAQH7H8144.9°145.6°
CBMNAXCAZH4180.0°179.9°
CBMNAXCAZCAA178.9°175.1°
CBMNAXCAZOAF0.7°4.9°
NAXCBMCAPH5139.7°0.1°
NAXCBMCAPH61.4°145.0°
NAXCBMCAQH7148.6°145.0°
NAXCBMCAQH87.5°0.0°
CAPCBMNAXCAZ73.5°57.2°
CAPCBMNAXH4106.5°122.9°
CBMCAPH5H6144.7°145.6°
NAXCAZCAAOAF178.3°180.0°
NAXCAZCAAH1178.2°90.0°
NAXCAZCAAH261.7°30.0°
NAXCAZCAAH358.3°150.0°
CAZCAAH1H2120.0°120.0°
CAZCAAH1H3120.0°120.0°
CAZCAAH2H3120.0°120.0°
CAACAZNAXH41.1°5.0°
OAFCAZCAAH10.0°90.0°
OAFCAZCAAH2120.0°150.0°
OAFCAZCAAH3120.0°30.0°
OAFCAZNAXH4179.3°175.0°
H1CAAH2H3120.0°120.0°
H5CAPCAQH70.1°145.0°
H5CAPCAQH8141.1°0.1°
H6CAPCAQH7141.1°0.1°
H6CAPCAQH80.1°145.0°
H9NAWCBJH10175.3°145.0°
H11CAEH12H13120.0°120.0°
H14CACH15H16120.0°119.9°
H17CADH18H19120.0°120.1°
H20CD2CGH2231.1°86.0°
H21CD2CGH2290.3°36.2°
H22CGOD1H2356.9°62.5°
H22CGCBH2431.1°88.0°
H22CGCBH2590.0°35.1°
H24CBCAH26144.0°21.5°
H25CBCAH2622.9°144.7°
H27NAVCARH2836.2°120.0°
H27NAVCARH29155.4°120.0°
H30CAKCAMH310.3°0.0°
H32CALCANH330.7°0.1°
H35CABH36H37120.0°120.0°

225946

PDB entries from 2024-10-09

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