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X3G

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CABCAWsing1.51Å1.54Å
CAKCAWdoub1.38Å1.40ÅAromatic
CAKCAZsing1.39Å1.41ÅAromatic
CAWCBCsing1.39Å1.40ÅAromatic
OAFSBHdoub1.42Å1.49Å
OAESBHdoub1.42Å1.51Å
NATCAZsing1.40Å1.35Å
NATC2sing1.39Å1.35Å
CAZCAJdoub1.39Å1.41ÅAromatic
N1C2doub1.32Å1.35ÅAromatic
N1C6sing1.32Å1.32ÅAromatic
C2N3sing1.33Å1.35ÅAromatic
SBHOAUsing1.52Å1.42Å
SBHCADsing1.81Å1.78Å
CBCOAUsing1.36Å1.39Å
CBCCAVdoub1.39Å1.41ÅAromatic
C6C5doub1.38Å1.39ÅAromatic
CAJCAVsing1.38Å1.40ÅAromatic
CAVCAAsing1.51Å1.54Å
N3C4doub1.33Å1.35ÅAromatic
C5C4sing1.40Å1.40ÅAromatic
C5F5sing1.35Å1.35Å
C4NBGsing1.40Å1.34Å
NBGCAMsing1.37Å1.34ÅAromatic
NBGCALsing1.37Å1.34ÅAromatic
CAMCBAdoub1.35Å1.33ÅAromatic
CALCAXdoub1.35Å1.32ÅAromatic
CBACAXsing1.41Å1.39ÅAromatic
CBACAPsing1.51Å1.53Å
CAXCACsing1.51Å1.53Å
CAPNBFsing1.47Å1.47Å
CAQNBFsing1.48Å1.48Å
CAQCBEsing1.55Å1.51Å
NBFCAOsing1.47Å1.48Å
OAGCBEsing1.43Å1.42Å
CBECANsing1.55Å1.51Å
CAOCANsing1.54Å1.53Å
C6H1sing1.08Å1.08Å
CADH2sing1.09Å1.10Å
CADH3sing1.09Å1.10Å
CADH4sing1.09Å1.10Å
CABH5sing1.09Å1.10Å
CABH6sing1.09Å1.10Å
CABH7sing1.09Å1.10Å
CAKH8sing1.08Å1.08Å
CAAH9sing1.09Å1.10Å
CAAH10sing1.09Å1.10Å
CAAH11sing1.09Å1.10Å
CAJH12sing1.08Å1.08Å
NATH13sing0.97Å1.00Å
CAMH14sing1.08Å1.08Å
CALH15sing1.08Å1.08Å
CACH16sing1.09Å1.10Å
CACH17sing1.09Å1.10Å
CACH18sing1.09Å1.10Å
CAPH19sing1.09Å1.10Å
CAPH20sing1.09Å1.10Å
CAQH22sing1.09Å1.10Å
CAQH23sing1.09Å1.10Å
CAOH24sing1.09Å1.10Å
CAOH25sing1.09Å1.10Å
CANH26sing1.09Å1.10Å
CANH27sing1.09Å1.10Å
CBEH28sing1.09Å1.10Å
OAGH29sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CABCAWCAK118.7°120.0°
CABCAWCBC121.0°120.0°
CAWCABH5109.5°109.5°
CAWCABH6109.5°109.5°
CAWCABH7109.5°109.5°
CAWCAKCAZ121.7°119.9°
CAKCAWCBC120.3°120.1°
CAWCAKH8119.2°120.1°
CAKCAZNAT116.9°120.0°
CAKCAZCAJ117.8°120.0°
CAZCAKH8119.2°120.0°
CAWCBCOAU120.4°120.0°
CAWCBCCAV118.6°120.0°
OAFSBHOAE110.2°121.0°
OAFSBHOAU107.5°104.3°
OAFSBHCAD108.4°110.5°
OAESBHOAU110.2°104.3°
OAESBHCAD109.8°110.6°
CAZNATC2128.9°119.9°
NATCAZCAJ125.2°120.0°
CAZNATH13115.5°120.0°
NATC2N1117.5°119.2°
NATC2N3124.1°119.1°
C2NATH13115.5°120.1°
CAZCAJCAV120.8°120.0°
CAZCAJH12119.6°120.0°
C2N1C6122.1°120.9°
N1C2N3118.3°121.6°
N1C6C5120.7°119.3°
N1C6H1119.6°120.3°
C2N3C4123.0°120.7°
OAUSBHCAD110.6°104.4°
SBHOAUCBC119.0°114.0°
SBHCADH2109.5°109.4°
SBHCADH3109.5°109.4°
SBHCADH4109.5°109.5°
OAUCBCCAV120.9°120.0°
CBCCAVCAJ120.7°120.0°
CBCCAVCAA120.4°120.0°
C6C5C4117.9°118.5°
C6C5F5118.5°120.8°
C5C6H1119.6°120.4°
CAJCAVCAA118.8°120.0°
CAVCAJH12119.6°120.0°
CAVCAAH9109.5°109.4°
CAVCAAH10109.5°109.5°
CAVCAAH11109.5°109.4°
N3C4C5118.0°119.0°
N3C4NBG118.2°120.5°
C4C5F5123.6°120.7°
C5C4NBG123.7°120.5°
C4NBGCAM123.2°125.7°
C4NBGCAL128.7°125.7°
CAMNBGCAL107.9°108.6°
NBGCAMCBA109.9°108.2°
NBGCAMH14125.1°125.9°
NBGCALCAX108.1°108.2°
NBGCALH15125.9°126.0°
CAMCBACAX105.5°107.5°
CAMCBACAP125.4°126.2°
CBACAMH14125.1°125.9°
CALCAXCBA108.5°107.5°
CALCAXCAC125.2°126.3°
CAXCALH15125.9°125.8°
CAXCBACAP129.0°126.2°
CBACAXCAC126.3°126.2°
CBACAPNBF111.9°109.5°
CBACAPH19108.9°109.5°
CBACAPH20108.8°109.5°
CAXCACH16109.5°109.4°
CAXCACH17109.5°109.5°
CAXCACH18109.5°109.4°
CAPNBFCAQ112.2°111.0°
CAPNBFCAO111.2°111.0°
NBFCAPH19108.9°109.5°
NBFCAPH20108.9°109.5°
NBFCAQCBE104.0°104.8°
CAQNBFCAO106.3°108.5°
NBFCAQH22110.8°110.4°
NBFCAQH23110.8°110.3°
CAQCBEOAG108.5°111.0°
CAQCBECAN101.8°101.7°
CBECAQH22110.8°110.4°
CBECAQH23110.8°110.4°
CAQCBEH28111.6°111.0°
NBFCAOCAN106.7°107.3°
NBFCAOH24110.2°109.9°
NBFCAOH25110.2°109.9°
OAGCBECAN109.5°111.0°
OAGCBEH28113.2°110.9°
CBEOAGH29109.5°114.0°
CBECANCAO101.9°103.0°
CBECANH26111.4°110.7°
CBECANH27111.4°110.8°
CANCBEH28111.6°110.9°
CANCAOH24110.2°109.9°
CANCAOH25110.2°109.9°
CAOCANH26111.3°110.7°
CAOCANH27111.3°110.7°
H2CADH3109.4°109.5°
H2CADH4109.5°109.5°
H3CADH4109.5°109.5°
H5CABH6109.5°109.4°
H5CABH7109.5°109.5°
H6CABH7109.5°109.5°
H9CAAH10109.5°109.4°
H9CAAH11109.4°109.5°
H10CAAH11109.5°109.5°
H16CACH17109.5°109.5°
H16CACH18109.4°109.5°
H17CACH18109.5°109.4°
H19CAPH20109.4°109.4°
H22CAQH23109.5°110.4°
H24CAOH25109.4°110.0°
H26CANH27109.5°110.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CABCAWCAKCBC179.5°179.9°
CABCAWCAKCAZ179.2°180.0°
CABCAWCBCOAU1.9°0.0°
CABCAWCBCCAV179.2°179.7°
CAWCABH5H6120.0°120.0°
CAWCABH5H7120.0°120.0°
CAWCABH6H7120.0°120.0°
CABCAWCAKH80.8°0.1°
CAWCAKCAZH8180.0°179.9°
CAWCAKCAZNAT179.8°180.0°
CAWCAKCAZCAJ0.8°0.3°
CAKCAWCBCOAU177.6°179.9°
CAKCAWCBCCAV0.3°0.2°
CAKCAWCABH589.8°93.9°
CAKCAWCABH6150.2°26.1°
CAKCAWCABH730.2°146.1°
CAZCAKCAWCBC0.3°0.1°
CAKCAZNATCAJ179.3°179.7°
CAKCAZNATC2172.6°146.5°
CAKCAZCAJCAV1.4°0.3°
CAKCAZCAJH12178.6°179.7°
CAKCAZNATH137.4°33.5°
CAWCBCOAUSBH98.9°85.6°
CAWCBCOAUCAV177.3°179.7°
CAWCBCCAVCAJ0.8°0.3°
CAWCBCCAVCAA179.7°179.7°
CBCCAWCABH589.7°86.1°
CBCCAWCABH630.3°154.0°
CBCCAWCABH7150.3°33.9°
CBCCAWCAKH8179.7°179.9°
OAFSBHOAEOAU118.5°116.8°
OAFSBHOAECAD119.3°131.5°
OAFSBHOAUCAD118.1°116.1°
OAFSBHOAUCBC126.5°167.7°
OAFSBHCADH2180.0°58.9°
OAFSBHCADH360.0°61.0°
OAFSBHCADH460.0°178.9°
OAESBHOAUCAD121.7°116.1°
OAESBHOAUCBC6.3°39.9°
OAESBHCADH259.5°164.3°
OAESBHCADH360.5°75.7°
OAESBHCADH4179.5°44.3°
CAZNATC2H13180.0°180.0°
CAZNATC2N1163.7°5.2°
CAZNATC2N318.9°174.5°
NATCAZCAJCAV179.3°180.0°
NATCAZCAKH80.2°0.1°
NATCAZCAJH120.7°0.0°
C2NATCAZCAJ8.1°33.9°
NATC2N1N3177.5°179.7°
NATC2N1C6178.4°180.0°
NATC2N3C4177.6°179.7°
CAZCAJCAVCBC1.4°0.0°
CAZCAJCAVH12180.0°179.9°
CAZCAJCAVCAA179.1°180.0°
CAJCAZCAKH8179.2°179.8°
CAJCAZNATH13171.9°146.2°
C2N1C6C50.4°0.0°
N1C2N3C40.3°0.6°
C2N1C6H1179.6°179.9°
N1C2NATH1316.2°174.8°
C6N1C2N30.8°0.3°
N1C6C5H1180.0°179.9°
N1C6C5C40.6°0.0°
N1C6C5F5179.8°180.0°
C2N3C4C50.7°0.6°
C2N3C4NBG177.1°179.7°
N3C2NATH13161.1°5.5°
SBHOAUCBCCAV83.9°94.7°
OAUSBHCADH262.4°52.7°
OAUSBHCADH3177.6°172.7°
OAUSBHCADH457.6°67.3°
CADSBHOAUCBC115.4°76.2°
SBHCADH2H3120.0°119.9°
SBHCADH2H4120.0°120.0°
SBHCADH3H4120.0°120.0°
OAUCBCCAVCAJ178.2°180.0°
OAUCBCCAVCAA2.4°0.0°
CBCCAVCAJCAA179.5°180.0°
CBCCAVCAAH990.3°96.1°
CBCCAVCAAH10149.7°143.9°
CBCCAVCAAH1129.7°23.9°
CBCCAVCAJH12178.6°180.0°
C6C5C4N31.1°0.3°
C6C5C4F5179.2°180.0°
C6C5C4NBG177.3°179.9°
CAJCAVCAAH990.3°83.9°
CAJCAVCAAH1029.7°36.1°
CAJCAVCAAH11149.7°156.1°
CAVCAAH9H10120.0°120.0°
CAVCAAH9H11120.0°120.0°
CAVCAAH10H11120.0°120.0°
CAACAVCAJH120.9°0.0°
N3C4C5NBG176.2°179.7°
N3C4C5F5179.7°179.7°
N3C4NBGCAM5.9°35.3°
N3C4NBGCAL178.9°144.4°
C5C4NBGCAM170.3°145.0°
C5C4NBGCAL5.0°35.3°
C4C5C6H1179.4°179.9°
F5C5C4NBG3.5°0.1°
F5C5C6H10.2°0.1°
C4NBGCAMCAL176.1°179.8°
C4NBGCAMCBA177.9°180.0°
C4NBGCALCAX177.7°180.0°
C4NBGCAMH142.1°0.0°
C4NBGCALH152.3°0.1°
NBGCAMCBAH14180.0°180.0°
CAMNBGCALCAX1.9°0.2°
NBGCAMCBACAX1.0°0.1°
NBGCAMCBACAP178.4°180.0°
CAMNBGCALH15178.1°179.7°
CALNBGCAMCBA1.8°0.2°
NBGCALCAXH15180.0°180.0°
NBGCALCAXCBA1.3°0.2°
NBGCALCAXCAC178.9°180.0°
CALNBGCAMH14178.2°179.8°
CAMCBACAXCAL0.2°0.0°
CAMCBACAXCAP179.3°179.8°
CAMCBACAXCAC180.0°179.9°
CAMCBACAPNBF96.0°100.0°
CAMCBACAPH19143.6°20.0°
CAMCBACAPH2024.4°140.0°
CALCAXCBACAC179.8°179.8°
CALCAXCBACAP179.6°179.8°
CALCAXCACH1690.1°90.0°
CALCAXCACH17149.9°150.0°
CALCAXCACH1829.9°30.0°
CAXCBACAPNBF84.8°80.2°
CAXCBACAMH14179.0°179.9°
CBACAXCALH15178.7°179.8°
CBACAXCACH1690.1°90.2°
CBACAXCACH1729.9°29.8°
CBACAXCACH18149.9°149.8°
CAXCBACAPH1935.6°159.8°
CAXCBACAPH20154.8°39.8°
CAPCBACAXCAC0.6°0.0°
CBACAPNBFH19120.4°120.1°
CBACAPNBFH20120.4°120.0°
CBACAPNBFCAQ66.1°169.3°
CBACAPNBFCAO175.0°69.9°
CAPCBACAMH141.6°0.1°
CBACAPH19H20118.9°120.0°
CACCAXCALH151.2°0.0°
CAXCACH16H17120.0°120.1°
CAXCACH16H18120.0°119.9°
CAXCACH17H18120.0°120.0°
CAPNBFCAQCAO121.7°122.2°
CAPNBFCAQCBE148.2°146.3°
CAPNBFCAOCAN122.8°123.3°
NBFCAPH19H20118.9°119.9°
CAPNBFCAQH2229.1°27.5°
CAPNBFCAQH2392.6°94.8°
CAPNBFCAOH24117.6°117.3°
CAPNBFCAOH253.2°3.8°
NBFCAQCBEH22119.1°118.9°
NBFCAQCBEH23119.1°118.8°
NBFCAQCBEOAG158.0°155.2°
NBFCAQCBECAN42.6°37.1°
CAQNBFCAOCAN0.4°1.0°
CAQNBFCAPH19173.5°70.6°
CAQNBFCAPH2054.2°49.3°
NBFCAQH22H23122.5°122.3°
CAQNBFCAOH24120.0°120.5°
CAQNBFCAOH25119.2°118.4°
NBFCAQCBEH2876.6°81.0°
CBECAQNBFCAO26.5°24.1°
CAQCBEOAGCAN110.3°112.3°
CAQCBEOAGH28124.4°123.9°
CAQCBECANH28119.2°118.1°
CAQCBECANCAO41.2°35.6°
CBECAQH22H23122.5°122.3°
CAQCBECANH2677.6°154.0°
CAQCBECANH27159.9°82.8°
CAQCBEOAGH29180.0°179.9°
NBFCAOCANCBE25.6°22.3°
NBFCAOCANH24119.6°119.4°
NBFCAOCANH25119.6°119.4°
CAONBFCAPH1954.6°50.2°
CAONBFCAPH2064.7°170.1°
CAONBFCAQH2292.6°94.7°
CAONBFCAQH23145.6°142.9°
NBFCAOH24H25121.3°121.1°
NBFCAOCANH2693.2°140.6°
NBFCAOCANH27144.4°96.3°
OAGCBECANH28126.1°123.8°
OAGCBECANCAO155.9°153.8°
OAGCBECAQH2238.9°36.3°
OAGCBECAQH2382.8°86.0°
OAGCBECANH2637.1°87.9°
OAGCBECANH2785.3°35.3°
CBECANCAOH26118.8°118.4°
CBECANCAOH27118.8°118.5°
CANCBECAQH2276.6°81.8°
CANCBECAQH23161.7°155.9°
CBECANCAOH2494.0°97.1°
CBECANCAOH25145.2°141.7°
CBECANH26H27123.6°123.3°
CANCBEOAGH2969.7°67.8°
CANCAOH24H25121.3°121.1°
CAOCANH26H27123.5°123.2°
CAOCANCBEH2878.0°82.4°
H2CADH3H4120.0°120.1°
H5CABH6H7120.0°120.0°
H9CAAH10H11120.0°120.0°
H16CACH17H18120.0°120.0°
H22CAQCBEH28164.3°160.2°
H23CAQCBEH2842.5°37.8°
H24CAOCANH26147.3°21.2°
H24CAOCANH2724.8°144.3°
H25CAOCANH2626.4°99.9°
H25CAOCANH2796.0°23.2°
H26CANCBEH28163.3°35.9°
H27CANCBEH2840.8°159.1°
H28CBEOAGH2955.5°56.0°

248335

PDB entries from 2026-01-28

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