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9BH

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NATCAMdoub1.29Å1.34ÅAromatic
NATCBBsing1.31Å1.35ÅAromatic
CAMSAWsing1.71Å1.65ÅAromatic
CAACBBsing1.51Å1.54Å
CBBCBDdoub1.35Å1.35ÅAromatic
SAWCBDsing1.76Å1.75ÅAromatic
CBDCBCsing1.48Å1.36Å
CBCCALdoub1.40Å1.40ÅAromatic
CBCCAKsing1.40Å1.39ÅAromatic
CALCAJsing1.38Å1.40ÅAromatic
CAKCAIdoub1.38Å1.41ÅAromatic
CAJCBAdoub1.38Å1.39ÅAromatic
CAICBAsing1.38Å1.40ÅAromatic
CBACAQsing1.51Å1.44Å
CAQNAUsing1.47Å1.49Å
NAUCsing1.35Å1.34Å
CBCAsing1.54Å1.54Å
CBCGsing1.55Å1.53Å
COdoub1.21Å1.22Å
CCAsing1.51Å1.43Å
CANsing1.47Å1.50Å
CGOD1sing1.43Å1.45Å
CGCD2sing1.55Å1.53Å
NCD2sing1.47Å1.50Å
NCAZsing1.35Å1.36Å
OAGCAZdoub1.21Å1.22Å
CAZCBHsing1.51Å1.56Å
CABCBJsing1.53Å1.54Å
CBHCBJsing1.53Å1.53Å
CBHNAVsing1.47Å1.47Å
CBJCACsing1.53Å1.55Å
CBJCADsing1.53Å1.54Å
NAVCAXsing1.35Å1.33Å
CAXOAEdoub1.21Å1.24Å
CAXCBFsing1.51Å1.53Å
CBFCAPsing1.54Å1.52Å
CBFCAOsing1.54Å1.51Å
CAPCANsing1.54Å1.52Å
CAOCANsing1.54Å1.52Å
CAOH1sing1.09Å1.10Å
CAOH2sing1.09Å1.10Å
CANH3sing1.09Å1.10Å
CANH4sing1.09Å1.10Å
CAPH5sing1.09Å1.10Å
CAPH6sing1.09Å1.10Å
CBFH7sing1.09Å1.10Å
NAVH8sing0.97Å1.00Å
CBHH9sing1.09Å1.10Å
CADH10sing1.09Å1.10Å
CADH11sing1.09Å1.10Å
CADH12sing1.09Å1.10Å
CABH13sing1.09Å1.10Å
CABH14sing1.09Å1.10Å
CABH15sing1.09Å1.10Å
CACH16sing1.09Å1.10Å
CACH17sing1.09Å1.10Å
CACH18sing1.09Å1.10Å
CD2H19sing1.09Å1.10Å
CD2H20sing1.09Å1.10Å
CGH21sing1.09Å1.10Å
OD1H22sing0.97Å0.95Å
CBH23sing1.09Å1.10Å
CBH24sing1.09Å1.10Å
CAH25sing1.09Å1.10Å
NAUH26sing0.97Å1.00Å
CAQH27sing1.09Å1.10Å
CAQH28sing1.09Å1.10Å
CAIH29sing1.08Å1.08Å
CAKH30sing1.08Å1.08Å
CAJH31sing1.08Å1.08Å
CALH32sing1.08Å1.08Å
CAMH33sing1.08Å1.08Å
CAAH34sing1.09Å1.10Å
CAAH35sing1.09Å1.10Å
CAAH36sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAMNATCBB115.7°117.3°
NATCAMSAW108.5°110.4°
NATCAMH33125.7°124.8°
NATCBBCAA118.4°122.9°
NATCBBCBD115.6°114.2°
CAMSAWCBD95.3°90.3°
SAWCAMH33125.8°124.8°
CAACBBCBD126.0°122.9°
CBBCAAH34109.5°109.5°
CBBCAAH35109.5°109.4°
CBBCAAH36109.5°109.5°
CBBCBDSAW104.9°107.8°
CBBCBDCBC128.3°126.1°
SAWCBDCBC126.9°126.1°
CBDCBCCAL122.9°120.2°
CBDCBCCAK120.9°120.1°
CALCBCCAK116.2°119.7°
CBCCALCAJ121.9°119.9°
CBCCALH32119.0°120.0°
CBCCAKCAI121.9°119.9°
CBCCAKH30119.0°120.1°
CALCAJCBA121.6°120.1°
CALCAJH31119.2°120.0°
CAJCALH32119.0°120.1°
CAKCAICBA121.6°120.1°
CAKCAIH29119.2°119.9°
CAICAKH30119.0°120.1°
CAJCBACAI116.7°120.3°
CAJCBACAQ120.4°119.8°
CBACAJH31119.2°119.9°
CAICBACAQ122.9°119.8°
CBACAIH29119.2°119.9°
CBACAQNAU112.5°109.5°
CBACAQH27108.7°109.4°
CBACAQH28108.7°109.4°
CAQNAUC122.7°120.0°
CAQNAUH26118.6°120.0°
NAUCAQH27108.7°109.5°
NAUCAQH28108.7°109.5°
NAUCO121.2°120.0°
NAUCCA117.0°120.0°
CNAUH26118.6°120.0°
CACBCG106.3°103.0°
CBCAC108.5°109.9°
CBCAN103.8°107.3°
CACBH23110.2°110.8°
CACBH24110.3°110.7°
CBCAH25109.3°109.8°
CBCGOD1110.6°111.0°
CBCGCD2102.1°101.6°
CBCGH21110.1°111.0°
CGCBH23110.3°111.0°
CGCBH24110.3°110.3°
OCCA121.5°120.0°
CCAN114.4°110.2°
CCAH25110.8°110.0°
CANCD2109.7°108.7°
CANCAZ119.0°125.6°
NCAH25109.8°109.6°
OD1CGCD2112.2°111.0°
OD1CGH21111.3°110.8°
CGOD1H22109.5°114.0°
CGCD2N105.3°104.8°
CGCD2H19110.5°110.4°
CGCD2H20110.5°110.4°
CD2CGH21110.1°111.0°
CD2NCAZ131.3°125.6°
NCD2H19110.5°110.4°
NCD2H20110.5°110.4°
NCAZOAG121.5°120.0°
NCAZCBH118.4°120.0°
OAGCAZCBH119.9°120.0°
CAZCBHCBJ115.2°109.5°
CAZCBHNAV107.0°109.5°
CAZCBHH9107.4°109.5°
CABCBJCBH110.0°109.5°
CABCBJCAC110.3°109.5°
CABCBJCAD108.2°109.5°
CBJCABH13109.5°109.4°
CBJCABH14109.5°109.4°
CBJCABH15109.5°109.5°
CBJCBHNAV110.8°109.4°
CBHCBJCAC112.5°109.5°
CBHCBJCAD108.2°109.5°
CBJCBHH9107.7°109.4°
CBHNAVCAX138.8°120.0°
CBHNAVH8110.6°120.0°
NAVCBHH9108.5°109.4°
CACCBJCAD107.5°109.5°
CBJCACH16109.5°109.5°
CBJCACH17109.4°109.5°
CBJCACH18109.5°109.5°
CBJCADH10109.5°109.4°
CBJCADH11109.5°109.5°
CBJCADH12109.4°109.5°
NAVCAXOAE122.9°120.0°
NAVCAXCBF115.8°120.0°
CAXNAVH8110.6°120.0°
OAECAXCBF121.2°120.0°
CAXCBFCAP112.3°113.6°
CAXCBFCAO111.0°113.6°
CAXCBFH7113.7°112.9°
CAPCBFCAO89.6°87.1°
CBFCAPCAN89.6°87.1°
CBFCAPH5114.2°113.6°
CBFCAPH6114.2°113.7°
CAPCBFH7114.0°113.6°
CBFCAOCAN89.7°87.1°
CBFCAOH1114.1°113.6°
CBFCAOH2114.2°113.7°
CAOCBFH7114.0°113.6°
CAPCANCAO89.5°87.1°
CAPCANH3114.2°113.7°
CAPCANH4114.2°113.7°
CANCAPH5114.2°113.6°
CANCAPH6114.2°113.6°
CANCAOH1114.2°113.6°
CANCAOH2114.2°113.6°
CAOCANH3114.2°113.6°
CAOCANH4114.2°113.6°
H1CAOH2109.5°112.9°
H3CANH4109.5°112.8°
H5CAPH6109.5°112.8°
H10CADH11109.4°109.5°
H10CADH12109.4°109.4°
H11CADH12109.5°109.5°
H13CABH14109.5°109.5°
H13CABH15109.5°109.5°
H14CABH15109.5°109.5°
H16CACH17109.5°109.4°
H16CACH18109.5°109.5°
H17CACH18109.5°109.5°
H19CD2H20109.5°110.3°
H23CBH24109.5°110.8°
H27CAQH28109.5°109.5°
H34CAAH35109.5°109.5°
H34CAAH36109.5°109.5°
H35CAAH36109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NATCAMSAWH33180.0°179.9°
CAMNATCBBCAA179.7°180.0°
CAMNATCBBCBD0.1°0.5°
NATCAMSAWCBD0.9°0.0°
CBBNATCAMSAW0.6°0.2°
NATCBBCAACBD179.5°179.5°
NATCBBCBDSAW0.8°0.4°
NATCBBCBDCBC179.8°179.8°
CBBNATCAMH33179.4°179.7°
NATCBBCAAH340.0°95.3°
NATCBBCAAH35120.0°144.7°
NATCBBCAAH36120.0°24.8°
CAMSAWCBDCBB0.9°0.3°
CAMSAWCBDCBC180.0°180.0°
CAACBBCBDSAW179.7°180.0°
CAACBBCBDCBC0.6°0.3°
CBBCAAH34H35120.0°120.0°
CBBCAAH34H36120.0°120.0°
CBBCAAH35H36120.0°119.9°
CBBCBDSAWCBC179.1°179.7°
CBBCBDCBCCAL41.9°46.8°
CBBCBDCBCCAK138.3°133.6°
CBDCBBCAAH34179.6°85.2°
CBDCBBCAAH3559.5°34.8°
CBDCBBCAAH3660.4°154.8°
SAWCBDCBCCAL139.2°132.9°
SAWCBDCBCCAK40.5°46.8°
CBDSAWCAMH33179.1°180.0°
CBDCBCCALCAK179.7°179.7°
CBDCBCCALCAJ179.5°180.0°
CBDCBCCAKCAI179.0°180.0°
CBDCBCCAKH301.0°0.1°
CBDCBCCALH320.5°0.1°
CBCCALCAJH32180.0°179.9°
CALCBCCAKCAI1.2°0.3°
CBCCALCAJCBA0.2°0.1°
CALCBCCAKH30178.8°179.7°
CBCCALCAJH31179.9°180.0°
CAKCBCCALCAJ0.8°0.3°
CBCCAKCAIH30180.0°180.0°
CBCCAKCAICBA0.8°0.0°
CBCCAKCAIH29179.2°180.0°
CAKCBCCALH32179.3°179.8°
CALCAJCBAH31180.0°180.0°
CALCAJCBACAI0.6°0.2°
CALCAJCBACAQ179.5°180.0°
CAKCAICBACAJ0.1°0.3°
CAKCAICBAH29180.0°180.0°
CAKCAICBACAQ180.0°180.0°
CAJCBACAICAQ179.9°179.7°
CAJCBACAQNAU163.8°90.3°
CAJCBACAQH2775.7°149.7°
CAJCBACAQH2843.4°29.8°
CAJCBACAIH29179.9°179.8°
CBACAJCALH32179.8°180.0°
CAICBACAQNAU16.0°90.0°
CAICBACAQH27104.4°30.0°
CAICBACAQH28136.5°150.0°
CBACAICAKH30179.2°180.0°
CAICBACAJH31179.4°179.7°
CBACAQNAUH27120.5°120.0°
CBACAQNAUH28120.4°120.0°
CBACAQNAUC95.5°180.0°
CBACAQNAUH2684.5°0.0°
CBACAQH27H28118.6°119.9°
CAQCBACAIH290.0°0.0°
CAQCBACAJH310.5°0.0°
CAQNAUCH26180.0°180.0°
CAQNAUCO0.1°0.0°
CAQNAUCCA174.0°180.0°
NAUCAQH27H28118.6°120.1°
NAUCCACB92.3°61.4°
NAUCOCA173.6°179.9°
NAUCCAN152.3°179.4°
NAUCCAH2527.6°59.7°
CNAUCAQH27144.0°60.0°
CNAUCAQH2824.9°60.0°
CACBCGH23119.5°118.6°
CACBCGH24119.5°118.2°
CBCACO81.5°118.5°
CBCACN115.4°118.0°
CBCACH25119.9°121.0°
CBCANH25116.7°119.2°
CACBCGOD184.0°82.9°
CACBCGCD235.6°35.3°
CBCANCD24.0°1.5°
CBCANCAZ178.1°178.8°
CACBCGH21152.5°153.4°
CACBH23H24121.5°123.2°
CGCBCAC146.9°141.6°
CGCBCAN24.8°21.8°
CBCGOD1CD2113.3°112.2°
CBCGOD1H21122.8°123.9°
CBCGCD2H21116.9°118.1°
CBCGCD2N32.5°37.0°
CBCGCD2H1986.8°155.9°
CBCGCD2H20151.9°81.9°
CBCGOD1H22180.0°173.6°
CGCBH23H24121.5°123.0°
CGCBCAH2592.3°97.3°
OCCAN33.8°0.5°
OCCAH25158.5°120.4°
OCNAUH26179.9°180.0°
CCANH25125.2°121.2°
CCANCD2122.0°118.2°
CCANCAZ60.1°61.5°
CCACBH2327.4°99.7°
CCACBH2493.6°23.6°
CACNAUH266.0°0.1°
CANCD2CG18.2°24.4°
CANCD2CAZ177.6°179.7°
CANCAZOAG3.1°4.7°
CANCAZCBH179.1°175.2°
CANCD2H19101.1°143.2°
CANCD2H20137.6°94.5°
NCACBH2394.7°140.5°
NCACBH24144.3°96.1°
OD1CGCD2H21124.6°123.8°
OD1CGCD2N85.9°81.1°
OD1CGCD2H19154.8°37.8°
OD1CGCD2H2033.5°160.0°
OD1CGCBH23156.6°35.7°
OD1CGCBH2435.6°159.0°
CGCD2NH19119.3°118.9°
CGCD2NH20119.4°118.9°
CGCD2NCAZ159.4°155.9°
CGCD2H19H20121.9°122.3°
CD2CGOD1H2266.7°61.4°
CD2CGCBH2383.9°153.8°
CD2CGCBH24155.1°82.9°
CD2NCAZOAG174.2°175.6°
CD2NCAZCBH1.7°4.4°
NCD2H19H20121.9°122.3°
NCD2CGH21149.5°155.1°
CD2NCAH25112.8°120.6°
NCAZOAGCBH175.9°180.0°
NCAZCBHCBJ105.1°90.7°
NCAZCBHNAV131.3°149.3°
NCAZCBHH915.0°29.3°
CAZNCD2H1981.3°37.1°
CAZNCD2H2040.0°85.2°
CAZNCAH2565.1°59.6°
OAGCAZCBHCBJ78.9°89.3°
OAGCAZCBHNAV44.7°30.7°
OAGCAZCBHH9161.0°150.7°
CAZCBHCBJCAB55.7°175.6°
CAZCBHCBJNAV121.6°120.0°
CAZCBHCBJH9119.9°120.1°
CAZCBHNAVH9115.6°120.1°
CAZCBHCBJCAC67.6°64.4°
CAZCBHCBJCAD173.8°55.6°
CAZCBHNAVCAX103.0°155.0°
CAZCBHNAVH877.0°25.0°
CABCBJCBHCAC123.4°120.0°
CABCBJCBHCAD118.0°120.0°
CABCBJCBHNAV177.3°64.4°
CABCBJCACCAD117.8°120.0°
CABCBJCBHH964.1°55.6°
CABCBJCADH10180.0°56.2°
CABCBJCADH1160.0°63.8°
CABCBJCADH1260.0°176.2°
CBJCABH13H14120.0°119.9°
CBJCABH13H15120.0°120.0°
CBJCABH14H15120.0°120.0°
CABCBJCACH16180.0°180.0°
CABCBJCACH1760.0°60.1°
CABCBJCACH1860.0°60.0°
CBJCBHNAVH9118.1°119.9°
CBHCBJCACCAD119.0°120.0°
CBJCBHNAVCAX130.6°85.0°
CBJCBHNAVH849.4°95.0°
CBHCBJCADH1060.9°63.8°
CBHCBJCADH11179.1°176.2°
CBHCBJCADH1259.1°56.2°
CBHCBJCABH13180.0°60.0°
CBHCBJCABH1460.0°180.0°
CBHCBJCABH1560.0°60.0°
CBHCBJCACH1656.8°60.0°
CBHCBJCACH1763.2°179.9°
CBHCBJCACH18176.8°60.0°
NAVCBHCBJCAC54.0°55.6°
NAVCBHCBJCAD64.6°175.6°
CBHNAVCAXH8180.0°180.0°
CBHNAVCAXOAE9.1°0.0°
CBHNAVCAXCBF175.9°180.0°
CACCBJCBHH9172.5°175.6°
CACCBJCADH1060.9°176.3°
CACCBJCADH1159.1°56.2°
CACCBJCADH12179.1°63.8°
CACCBJCABH1355.3°60.0°
CACCBJCABH1464.7°60.0°
CACCBJCABH15175.3°180.0°
CBJCACH16H17120.0°120.0°
CBJCACH16H18120.0°120.0°
CBJCACH17H18120.0°120.0°
CADCBJCBHH953.9°64.5°
CBJCADH10H11120.0°120.0°
CBJCADH10H12120.0°120.0°
CBJCADH11H12120.0°120.1°
CADCBJCABH1362.0°180.0°
CADCBJCABH14178.0°60.0°
CADCBJCABH1558.0°60.0°
CADCBJCACH1662.2°60.0°
CADCBJCACH17177.8°60.0°
CADCBJCACH1857.8°180.0°
NAVCAXOAECBF174.7°180.0°
NAVCAXCBFCAP168.4°180.0°
NAVCAXCBFCAO93.0°82.5°
NAVCAXCBFH737.1°48.8°
CAXNAVCBHH912.6°34.9°
OAECAXCBFCAP16.5°0.0°
OAECAXCBFCAO82.1°97.5°
OAECAXCBFH7147.8°131.2°
OAECAXNAVH8170.9°180.0°
CAXCBFCAPCAO112.6°114.5°
CAXCBFCAPH7131.2°130.9°
CAXCBFCAOH7130.0°131.0°
CAXCBFCAPCAN103.1°89.1°
CAXCBFCAOCAN104.3°89.1°
CAXCBFCAOH1139.1°25.5°
CAXCBFCAOH212.2°156.4°
CAXCBFCAPH513.3°156.3°
CAXCBFCAPH6140.4°25.5°
CBFCAXNAVH84.1°0.0°
CAPCBFCAOH7116.2°114.5°
CBFCAPCANH5116.5°114.6°
CBFCAPCANH6116.5°114.7°
CAPCBFCAOCAN9.5°25.4°
CAPCBFCAOH1107.0°140.0°
CAPCBFCAOH2126.0°89.1°
CBFCAPCANH3107.0°140.0°
CBFCAPCANH4126.0°89.1°
CBFCAPH5H6129.5°131.3°
CBFCAOCANH1116.5°114.5°
CBFCAOCANH2116.5°114.6°
CBFCAOH1H2129.4°131.3°
CBFCAOCANH3107.0°140.0°
CBFCAOCANH4126.0°89.2°
CAOCBFCAPH5125.9°89.2°
CAOCBFCAPH6107.0°140.0°
CAPCANCAOH3116.5°114.6°
CAPCANCAOH4116.5°114.6°
CAPCANCAOH1107.0°140.0°
CAPCANCAOH2126.0°89.2°
CAPCANH3H4129.4°131.4°
CANCAPH5H6129.4°131.2°
CANCAPCBFH7125.7°140.0°
CANCAOH1H2129.4°131.2°
CAOCANH3H4129.5°131.1°
CAOCANCAPH5125.9°89.2°
CAOCANCAPH6107.0°140.1°
CANCAOCBFH7125.7°139.9°
H1CAOCANH3136.5°105.5°
H1CAOCANH49.5°25.3°
H1CAOCBFH79.2°105.5°
H2CAOCANH39.5°25.4°
H2CAOCANH4117.6°156.1°
H2CAOCBFH7117.8°25.4°
H3CANCAPH59.4°25.4°
H3CANCAPH6136.5°105.4°
H4CANCAPH5117.6°156.3°
H4CANCAPH69.5°25.6°
H5CAPCBFH7117.8°25.4°
H6CAPCBFH79.2°105.4°
H8NAVCBHH9167.4°145.1°
H10CADH11H12120.0°120.0°
H13CABH14H15120.0°120.1°
H16CACH17H18120.0°120.0°
H19CD2CGH2130.2°86.0°
H20CD2CGH2191.1°36.2°
H21CGOD1H2257.2°62.5°
H21CGCBH2333.1°88.0°
H21CGCBH2487.9°35.2°
H23CBCAH25148.2°21.5°
H24CBCAH2527.2°144.8°
H26NAUCAQH2736.0°120.0°
H26NAUCAQH28155.1°120.0°
H29CAICAKH300.8°0.0°
H31CAJCALH320.2°0.0°
H34CAAH35H36120.0°120.0°

225946

PDB entries from 2024-10-09

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