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9BN

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NAUCAOdoub1.29Å1.34ÅAromatic
NAUCBDsing1.31Å1.35ÅAromatic
CAOSAXsing1.71Å1.67ÅAromatic
CABCBDsing1.51Å1.53Å
CBDCBFdoub1.35Å1.34ÅAromatic
SAXCBFsing1.76Å1.70ÅAromatic
CBFCBEsing1.48Å1.35Å
CBECAMdoub1.40Å1.40ÅAromatic
CBECANsing1.40Å1.39ÅAromatic
CAMCAKsing1.38Å1.40ÅAromatic
CANCALdoub1.38Å1.40ÅAromatic
CAKCBCdoub1.38Å1.40ÅAromatic
CALCBCsing1.38Å1.41ÅAromatic
CBCCARsing1.51Å1.42Å
CARNAVsing1.46Å1.49Å
NAVCsing1.35Å1.36Å
CBCAsing1.54Å1.53Å
CBCGsing1.55Å1.50Å
COdoub1.21Å1.23Å
CCAsing1.51Å1.40Å
CANsing1.47Å1.50Å
CGOD1sing1.43Å1.44Å
CGCD2sing1.55Å1.51Å
NCD2sing1.47Å1.50Å
NCBBsing1.35Å1.36Å
OAICBBdoub1.21Å1.24Å
CBBCBIsing1.51Å1.56Å
CADCBKsing1.53Å1.55Å
CBICBKsing1.53Å1.56Å
CBINAWsing1.46Å1.47Å
CAECBKsing1.53Å1.54Å
CBKCACsing1.53Å1.53Å
NAWCBAsing1.35Å1.35Å
OAFCAYdoub1.21Å1.23Å
CBAOAHdoub1.21Å1.23Å
CBACBLsing1.51Å1.55Å
CAYCAAsing1.51Å1.54Å
CAYCBLsing1.51Å1.54Å
CBLCAQsing1.53Å1.53Å
CBLCAPsing1.53Å1.52Å
CAQCAPsing1.53Å1.53Å
CAPH1sing1.09Å1.10Å
CAPH2sing1.09Å1.10Å
CAQH3sing1.09Å1.10Å
CAQH4sing1.09Å1.10Å
CAAH5sing1.09Å1.10Å
CAAH6sing1.09Å1.10Å
CAAH7sing1.09Å1.10Å
NAWH8sing0.97Å1.00Å
CBIH9sing1.09Å1.10Å
CAEH10sing1.09Å1.10Å
CAEH11sing1.09Å1.10Å
CAEH12sing1.09Å1.10Å
CACH13sing1.09Å1.10Å
CACH14sing1.09Å1.10Å
CACH15sing1.09Å1.10Å
CADH16sing1.09Å1.10Å
CADH17sing1.09Å1.10Å
CADH18sing1.09Å1.10Å
CD2H19sing1.09Å1.10Å
CD2H20sing1.09Å1.10Å
CGH21sing1.09Å1.10Å
OD1H22sing0.97Å0.95Å
CBH23sing1.09Å1.10Å
CBH24sing1.09Å1.10Å
CAH25sing1.09Å1.10Å
NAVH26sing0.97Å1.00Å
CARH27sing1.09Å1.10Å
CARH28sing1.09Å1.10Å
CAKH29sing1.08Å1.08Å
CAMH30sing1.08Å1.08Å
CALH31sing1.08Å1.08Å
CANH32sing1.08Å1.08Å
CAOH33sing1.08Å1.08Å
CABH34sing1.09Å1.10Å
CABH35sing1.09Å1.10Å
CABH36sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAONAUCBD114.7°117.3°
NAUCAOSAX108.3°110.4°
NAUCAOH33125.9°124.8°
NAUCBDCAB120.0°122.9°
NAUCBDCBF115.3°114.2°
CAOSAXCBF94.9°90.3°
SAXCAOH33125.8°124.8°
CABCBDCBF124.8°122.9°
CBDCABH34109.5°109.4°
CBDCABH35109.5°109.5°
CBDCABH36109.5°109.5°
CBDCBFSAX106.8°107.8°
CBDCBFCBE127.5°126.1°
SAXCBFCBE125.7°126.1°
CBFCBECAM122.0°120.1°
CBFCBECAN120.0°120.1°
CAMCBECAN117.9°119.7°
CBECAMCAK121.5°119.9°
CBECAMH30119.3°120.1°
CBECANCAL120.9°119.8°
CBECANH32119.6°120.1°
CAMCAKCBC120.7°120.1°
CAMCAKH29119.6°120.0°
CAKCAMH30119.3°120.0°
CANCALCBC121.3°120.2°
CANCALH31119.3°119.9°
CALCANH32119.6°120.1°
CAKCBCCAL117.7°120.3°
CAKCBCCAR119.6°119.9°
CBCCAKH29119.7°119.9°
CALCBCCAR122.7°119.9°
CBCCALH31119.3°119.9°
CBCCARNAV113.0°109.5°
CBCCARH27108.6°109.5°
CBCCARH28108.6°109.5°
CARNAVC124.7°120.0°
CARNAVH26117.6°120.0°
NAVCARH27108.6°109.4°
NAVCARH28108.6°109.5°
NAVCO125.1°120.0°
NAVCCA114.9°120.0°
CNAVH26117.7°120.0°
CACBCG105.5°103.0°
CBCAC108.2°109.9°
CBCAN105.7°107.3°
CACBH23110.5°110.7°
CACBH24110.4°110.7°
CBCAH25109.1°109.9°
CBCGOD1109.1°111.0°
CBCGCD2103.3°101.6°
CBCGH21110.9°111.0°
CGCBH23110.5°110.9°
CGCBH24110.4°110.4°
OCCA119.8°120.0°
CCAN113.1°110.2°
CCAH25111.0°109.9°
CANCD2107.1°108.7°
CANCBB121.3°125.6°
NCAH25109.5°109.6°
OD1CGCD2110.7°111.0°
OD1CGH21111.9°110.9°
CGOD1H22109.5°113.9°
CGCD2N104.5°104.8°
CGCD2H19110.7°110.3°
CGCD2H20110.7°110.5°
CD2CGH21110.7°111.0°
CD2NCBB131.5°125.7°
NCD2H19110.7°110.4°
NCD2H20110.7°110.4°
NCBBOAI122.5°120.1°
NCBBCBI117.8°120.0°
OAICBBCBI119.7°119.9°
CBBCBICBK111.5°109.5°
CBBCBINAW107.1°109.5°
CBBCBIH9109.0°109.4°
CADCBKCBI111.5°109.5°
CADCBKCAE107.7°109.5°
CADCBKCAC108.9°109.4°
CBKCADH16109.5°109.5°
CBKCADH17109.5°109.4°
CBKCADH18109.5°109.5°
CBKCBINAW109.8°109.5°
CBICBKCAE113.0°109.5°
CBICBKCAC108.3°109.4°
CBKCBIH9109.1°109.4°
CBINAWCBA124.5°120.0°
CBINAWH8117.7°120.0°
NAWCBIH9110.3°109.5°
CAECBKCAC107.2°109.5°
CBKCAEH10109.5°109.5°
CBKCAEH11109.4°109.5°
CBKCAEH12109.5°109.5°
CBKCACH13109.5°109.5°
CBKCACH14109.5°109.5°
CBKCACH15109.5°109.5°
NAWCBAOAH124.4°120.0°
NAWCBACBL115.2°120.0°
CBANAWH8117.7°120.0°
OAFCAYCAA121.1°120.1°
OAFCAYCBL120.8°120.0°
OAHCBACBL120.4°120.0°
CBACBLCAY114.3°115.6°
CBACBLCAQ117.9°117.5°
CBACBLCAP117.9°117.5°
CAACAYCBL118.1°120.0°
CAYCAAH5109.5°109.5°
CAYCAAH6109.5°109.4°
CAYCAAH7109.5°109.5°
CAYCBLCAQ116.0°117.5°
CAYCBLCAP119.9°117.5°
CAQCBLCAP60.3°60.0°
CBLCAQCAP59.8°60.0°
CBLCAQH3120.1°117.5°
CBLCAQH4120.0°117.5°
CBLCAPCAQ59.9°60.0°
CBLCAPH1120.0°117.5°
CBLCAPH2120.0°117.5°
CAQCAPH1120.0°117.5°
CAQCAPH2120.0°117.5°
CAPCAQH3120.0°117.6°
CAPCAQH4120.0°117.5°
H1CAPH2109.5°115.6°
H3CAQH4109.5°115.6°
H5CAAH6109.4°109.5°
H5CAAH7109.4°109.5°
H6CAAH7109.5°109.5°
H10CAEH11109.5°109.4°
H10CAEH12109.5°109.5°
H11CAEH12109.4°109.5°
H13CACH14109.5°109.5°
H13CACH15109.4°109.5°
H14CACH15109.5°109.4°
H16CADH17109.5°109.4°
H16CADH18109.4°109.6°
H17CADH18109.5°109.5°
H19CD2H20109.5°110.3°
H23CBH24109.5°110.8°
H27CARH28109.5°109.4°
H34CABH35109.5°109.4°
H34CABH36109.4°109.5°
H35CABH36109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NAUCAOSAXH33180.0°179.9°
CAONAUCBDCAB179.7°180.0°
CAONAUCBDCBF0.0°0.5°
NAUCAOSAXCBF0.4°0.0°
CBDNAUCAOSAX0.4°0.3°
NAUCBDCABCBF179.7°179.4°
NAUCBDCBFSAX0.3°0.5°
NAUCBDCBFCBE179.7°179.8°
CBDNAUCAOH33179.6°179.8°
NAUCBDCABH340.0°95.2°
NAUCBDCABH35120.0°144.8°
NAUCBDCABH36120.0°24.8°
CAOSAXCBFCBD0.4°0.2°
CAOSAXCBFCBE179.5°180.0°
CABCBDCBFSAX180.0°179.9°
CABCBDCBFCBE0.0°0.3°
CBDCABH34H35120.0°120.0°
CBDCABH34H36120.0°120.0°
CBDCABH35H36120.0°120.0°
CBDCBFSAXCBE180.0°179.7°
CBDCBFCBECAM49.4°132.7°
CBDCBFCBECAN132.3°47.5°
CBFCBDCABH34179.7°85.3°
CBFCBDCABH3559.7°34.6°
CBFCBDCABH3660.3°154.7°
SAXCBFCBECAM130.5°47.6°
SAXCBFCBECAN47.8°132.2°
CBFSAXCAOH33179.5°179.9°
CBFCBECAMCAN178.3°179.7°
CBFCBECAMCAK180.0°180.0°
CBFCBECANCAL179.7°180.0°
CBFCBECAMH300.0°0.0°
CBFCBECANH320.3°0.0°
CBECAMCAKH30180.0°180.0°
CAMCBECANCAL1.3°0.3°
CBECAMCAKCBC1.2°0.1°
CBECAMCAKH29178.8°180.0°
CAMCBECANH32178.7°179.7°
CANCBECAMCAK1.6°0.2°
CBECANCALH32180.0°180.0°
CBECANCALCBC0.6°0.0°
CANCBECAMH30178.4°179.7°
CBECANCALH31179.4°179.9°
CAMCAKCBCH29180.0°180.0°
CAMCAKCBCCAL0.4°0.3°
CAMCAKCBCCAR179.4°180.0°
CANCALCBCCAK0.1°0.3°
CANCALCBCH31180.0°180.0°
CANCALCBCCAR179.7°180.0°
CAKCBCCALCAR179.8°179.7°
CAKCBCCARNAV159.6°90.0°
CAKCBCCARH2779.9°30.0°
CAKCBCCARH2839.1°150.0°
CBCCAKCAMH30178.8°180.0°
CAKCBCCALH31179.9°179.8°
CALCBCCARNAV20.2°90.3°
CALCBCCARH27100.4°149.7°
CALCBCCARH28140.7°29.8°
CALCBCCAKH29179.6°179.7°
CBCCALCANH32179.4°180.0°
CBCCARNAVH27120.5°120.0°
CBCCARNAVH28120.5°120.0°
CBCCARNAVC96.5°180.0°
CBCCARNAVH2683.6°0.0°
CBCCARH27H28118.4°120.0°
CARCBCCAKH290.6°0.0°
CARCBCCALH310.3°0.0°
CARNAVCH26180.0°180.0°
CARNAVCO1.8°0.0°
CARNAVCCA177.4°180.0°
NAVCARH27H28118.4°120.0°
NAVCCACB91.9°61.4°
NAVCOCA175.4°180.0°
NAVCCAN151.3°179.4°
NAVCCAH2527.7°59.6°
CNAVCARH27143.0°60.0°
CNAVCARH2824.1°60.0°
CACBCGH23119.4°118.5°
CACBCGH24119.3°118.2°
CBCACO83.9°118.6°
CBCACN116.8°118.0°
CBCACH25119.6°121.1°
CBCANH25117.4°119.3°
CACBCGOD183.7°82.8°
CACBCGCD234.0°35.3°
CBCANCD25.5°1.5°
CBCANCBB170.7°178.9°
CACBCGH21152.6°153.4°
CACBH23H24121.8°123.3°
CGCBCAC139.3°141.6°
CGCBCAN17.8°21.8°
CBCGOD1CD2113.0°112.2°
CBCGOD1H21123.0°123.9°
CBCGCD2H21118.7°118.0°
CBCGCD2N37.4°37.0°
CBCGCD2H1981.8°155.9°
CBCGCD2H20156.6°81.9°
CBCGOD1H22180.0°173.6°
CGCBH23H24121.9°123.0°
CGCBCAH2599.9°97.3°
OCCAN32.8°0.6°
OCCAH25156.4°120.4°
OCNAVH26178.2°180.0°
CCANH25124.4°121.1°
CCANCD2112.7°118.1°
CCANCBB71.1°61.5°
CCACBH2319.9°99.7°
CCACBH24101.4°23.6°
CACNAVH262.6°0.0°
CANCD2CG26.6°24.4°
CANCD2CBB175.6°179.7°
CANCBBOAI2.3°3.8°
CANCBBCBI179.0°176.2°
CANCD2H1992.6°143.2°
CANCD2H20145.8°94.6°
NCACBH23101.6°140.5°
NCACBH24137.1°96.2°
OD1CGCD2H21124.7°123.9°
OD1CGCD2N79.2°81.0°
OD1CGCD2H19161.6°37.8°
OD1CGCD2H2040.0°160.0°
OD1CGCBH23156.9°35.8°
OD1CGCBH2435.6°159.0°
CGCD2NH19119.2°118.8°
CGCD2NH20119.2°119.0°
CGCD2NCBB149.0°155.9°
CGCD2H19H20122.3°122.3°
CD2CGOD1H2267.0°61.4°
CD2CGCBH2385.4°153.8°
CD2CGCBH24153.3°82.9°
CD2NCBBOAI177.4°175.8°
CD2NCBBCBI3.9°4.2°
NCD2H19H20122.3°122.3°
NCD2CGH21156.1°155.1°
CD2NCAH25122.9°120.7°
NCBBOAICBI178.6°179.9°
NCBBCBICBK92.7°93.8°
NCBBCBINAW147.1°146.1°
NCBBCBIH927.8°26.1°
CBBNCD2H1991.8°37.1°
CBBNCD2H2029.8°85.1°
CBBNCAH2553.3°59.6°
OAICBBCBICBK86.0°86.2°
OAICBBCBINAW34.2°33.9°
OAICBBCBIH9153.5°153.8°
CBBCBICBKCAD54.8°58.4°
CBBCBICBKNAW118.6°120.1°
CBBCBICBKH9120.5°119.9°
CBBCBINAWH9118.5°119.9°
CBBCBICBKCAE66.8°178.5°
CBBCBICBKCAC174.6°61.5°
CBBCBINAWCBA105.7°155.0°
CBBCBINAWH874.3°25.1°
CADCBKCBICAE121.6°120.0°
CADCBKCBICAC119.8°119.9°
CADCBKCBINAW173.3°178.5°
CADCBKCAECAC117.1°120.0°
CADCBKCBIH965.7°61.5°
CADCBKCAEH10180.0°180.0°
CADCBKCAEH1160.0°60.0°
CADCBKCAEH1260.0°60.0°
CADCBKCACH13180.0°60.0°
CADCBKCACH1460.0°60.0°
CADCBKCACH1560.0°180.0°
CBKCADH16H17120.0°119.9°
CBKCADH16H18120.0°120.1°
CBKCADH17H18120.0°120.0°
CBKCBINAWH9120.2°120.0°
CBICBKCAECAC119.3°120.0°
CBKCBINAWCBA133.0°84.9°
CBKCBINAWH846.9°95.0°
CBICBKCAEH1056.3°60.0°
CBICBKCAEH1163.7°180.0°
CBICBKCAEH12176.4°60.0°
CBICBKCACH1358.6°60.0°
CBICBKCACH14178.6°180.0°
CBICBKCACH1561.4°60.1°
CBICBKCADH16180.0°64.2°
CBICBKCADH1760.0°175.9°
CBICBKCADH1860.0°55.9°
NAWCBICBKCAE51.8°61.5°
NAWCBICBKCAC66.9°58.6°
CBINAWCBAH8180.0°179.9°
CBINAWCBAOAH2.8°4.0°
CBINAWCBACBL176.9°176.0°
CAECBKCBIH9172.7°58.5°
CBKCAEH10H11120.0°120.0°
CBKCAEH10H12120.0°120.1°
CBKCAEH11H12120.0°120.1°
CAECBKCACH1363.7°180.0°
CAECBKCACH1456.3°60.0°
CAECBKCACH15176.3°60.0°
CAECBKCADH1655.4°55.8°
CAECBKCADH1764.6°64.1°
CAECBKCADH18175.4°175.9°
CACCBKCBIH954.1°178.6°
CACCBKCAEH1063.0°60.0°
CACCBKCAEH11177.0°60.0°
CACCBKCAEH1257.1°180.0°
CBKCACH13H14120.0°120.0°
CBKCACH13H15120.0°120.0°
CBKCACH14H15120.0°120.0°
CACCBKCADH1660.5°175.9°
CACCBKCADH17179.4°56.0°
CACCBKCADH1859.4°64.0°
NAWCBAOAHCBL179.7°180.0°
NAWCBACBLCAY20.8°90.7°
NAWCBACBLCAQ162.3°55.1°
NAWCBACBLCAP128.4°123.6°
CBANAWCBIH912.8°35.1°
OAFCAYCBLCBA7.8°89.5°
OAFCAYCAACBL179.2°180.0°
OAFCAYCBLCAQ150.0°124.8°
OAFCAYCBLCAP140.7°56.2°
OAFCAYCAAH50.0°175.0°
OAFCAYCAAH6120.0°55.0°
OAFCAYCAAH7120.0°65.0°
OAHCBACBLCAY158.9°89.3°
OAHCBACBLCAQ17.4°124.9°
OAHCBACBLCAP51.9°56.4°
OAHCBANAWH8177.2°175.9°
CBACBLCAYCAA171.5°90.5°
CBACBLCAYCAQ142.3°145.7°
CBACBLCAYCAP148.5°145.7°
CBACBLCAQCAP108.0°107.4°
CBACBLCAPH1142.7°0.0°
CBACBLCAPH21.6°145.0°
CBACBLCAQH31.4°145.0°
CBACBLCAQH4142.6°0.0°
CBLCBANAWH83.1°4.1°
CAACAYCBLCAQ29.2°55.2°
CAACAYCBLCAP40.0°123.8°
CAYCAAH5H6120.0°120.0°
CAYCAAH5H7120.0°120.0°
CAYCAAH6H7120.0°120.0°
CAYCBLCAQCAP111.1°107.5°
CAYCBLCAPH14.7°145.0°
CAYCBLCAPH2145.8°0.0°
CAYCBLCAQH3139.4°0.1°
CAYCBLCAQH41.7°145.0°
CBLCAYCAAH5179.2°5.0°
CBLCAYCAAH660.8°125.0°
CBLCAYCAAH759.2°115.0°
CBLCAQCAPH3109.4°107.4°
CBLCAQCAPH4109.4°107.5°
CAQCBLCAPH1109.4°107.5°
CAQCBLCAPH2109.5°107.5°
CBLCAQH3H4144.8°145.6°
CBLCAPH1H2144.8°145.7°
CAQCAPH1H2144.8°145.6°
CAPCAQH3H4144.8°145.8°
H1CAPCAQH3141.1°145.0°
H1CAPCAQH40.1°0.1°
H2CAPCAQH30.0°0.0°
H2CAPCAQH4141.2°145.1°
H5CAAH6H7119.9°120.0°
H8NAWCBIH9167.1°145.0°
H10CAEH11H12120.0°120.0°
H13CACH14H15120.0°120.0°
H16CADH17H18120.0°120.1°
H19CD2CGH2136.9°86.1°
H20CD2CGH2184.7°36.2°
H21CGOD1H2257.0°62.5°
H21CGCBH2333.3°88.1°
H21CGCBH2488.0°35.1°
H23CBCAH25140.7°21.4°
H24CBCAH2519.5°144.7°
H26NAVCARH2737.0°120.0°
H26NAVCARH28155.9°120.0°
H29CAKCAMH301.2°0.0°
H31CALCANH320.6°0.0°
H34CABH35H36120.0°120.0°

218500

PDB entries from 2024-04-17

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