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9O5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAHCAGdoub1.38Å1.40ÅAromatic
CAHCAIsing1.38Å1.39ÅAromatic
CAGCAFsing1.38Å1.39ÅAromatic
CAICAJdoub1.38Å1.39ÅAromatic
CAFCAKdoub1.38Å1.39ÅAromatic
CAJCAKsing1.38Å1.40ÅAromatic
CAKCARsing1.51Å1.44Å
CARCASsing1.53Å1.42Å
CASNATsing1.46Å1.43Å
NATC6sing1.38Å1.33Å
CAMCALdoub1.38Å1.39ÅAromatic
CAMCANsing1.38Å1.39ÅAromatic
CALCAQsing1.39Å1.39ÅAromatic
N1C6doub1.32Å1.33ÅAromatic
N1C2sing1.33Å1.35ÅAromatic
CANCAOdoub1.38Å1.39ÅAromatic
C6C5sing1.42Å1.38ÅAromatic
CAQC2sing1.48Å1.38Å
CAQCAPdoub1.39Å1.40ÅAromatic
C2N3doub1.32Å1.35ÅAromatic
CAOCAPsing1.38Å1.40ÅAromatic
CAOCAEsing1.51Å1.46Å
C5CAZsing1.40Å1.41ÅAromatic
C5C4doub1.42Å1.41ÅAromatic
CAZCBEdoub1.36Å1.39ÅAromatic
CAECADsing1.53Å1.51Å
N3C4sing1.34Å1.32ÅAromatic
CADCACsing1.51Å1.52Å
C4CBCsing1.40Å1.38ÅAromatic
OAACACdoub1.21Å1.24Å
CBECBDsing1.40Å1.42ÅAromatic
CACCABsing1.51Å1.50Å
CBCCBDdoub1.38Å1.40ÅAromatic
CBDNAUsing1.39Å1.34Å
CABH1sing1.09Å1.10Å
CABH2sing1.09Å1.10Å
CABH3sing1.09Å1.10Å
CADH4sing1.09Å1.10Å
CADH5sing1.09Å1.10Å
CAEH6sing1.09Å1.10Å
CAEH7sing1.09Å1.10Å
CAPH8sing1.08Å1.08Å
CANH9sing1.08Å1.08Å
CAMH10sing1.08Å1.08Å
CALH11sing1.08Å1.08Å
CBCH12sing1.08Å1.08Å
NAUH13sing0.97Å1.00Å
NAUH14sing0.97Å1.00Å
CBEH15sing1.08Å1.08Å
CAZH16sing1.08Å1.08Å
NATH17sing0.97Å1.00Å
CASH18sing1.09Å1.10Å
CASH19sing1.09Å1.10Å
CARH20sing1.09Å1.10Å
CARH21sing1.09Å1.10Å
CAFH22sing1.08Å1.08Å
CAGH23sing1.08Å1.08Å
CAHH24sing1.08Å1.08Å
CAIH25sing1.08Å1.08Å
CAJH26sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAGCAHCAI120.0°120.0°
CAHCAGCAF119.8°120.0°
CAHCAGH23120.1°120.0°
CAGCAHH24120.0°120.0°
CAHCAICAJ120.5°120.0°
CAICAHH24120.0°120.0°
CAHCAIH25119.8°120.0°
CAGCAFCAK120.2°120.0°
CAGCAFH22119.9°120.0°
CAFCAGH23120.1°120.0°
CAICAJCAK119.8°120.0°
CAJCAIH25119.7°120.0°
CAICAJH26120.1°120.0°
CAFCAKCAJ119.8°120.0°
CAFCAKCAR114.9°120.0°
CAKCAFH22119.9°120.0°
CAJCAKCAR125.0°120.0°
CAKCAJH26120.1°120.0°
CAKCARCAS111.8°109.4°
CAKCARH20108.9°109.5°
CAKCARH21108.9°109.5°
CARCASNAT110.3°109.5°
CARCASH18109.3°109.5°
CARCASH19109.2°109.5°
CASCARH20108.9°109.5°
CASCARH21108.9°109.5°
CASNATC6114.0°120.0°
CASNATH17108.3°120.0°
NATCASH18109.3°109.5°
NATCASH19109.3°109.5°
NATC6N1117.1°120.8°
NATC6C5121.6°120.8°
C6NATH17108.3°120.0°
CALCAMCAN122.1°120.1°
CAMCALCAQ119.1°119.9°
CALCAMH10119.0°119.9°
CAMCALH11120.4°120.1°
CAMCANCAO119.4°120.3°
CAMCANH9120.3°119.8°
CANCAMH10119.0°119.9°
CALCAQC2115.8°120.2°
CALCAQCAP119.0°119.7°
CAQCALH11120.5°120.0°
C6N1C2120.6°121.4°
N1C6C5121.3°118.4°
N1C2CAQ116.9°118.6°
N1C2N3120.0°122.7°
CANCAOCAP118.5°120.1°
CANCAOCAE118.6°120.0°
CAOCANH9120.3°119.9°
C6C5CAZ123.6°121.9°
C6C5C4116.4°118.3°
C2CAQCAP125.1°120.1°
CAQC2N3123.0°118.7°
CAQCAPCAO121.9°119.9°
CAQCAPH8119.1°120.1°
C2N3C4121.1°120.4°
CAPCAOCAE122.9°119.9°
CAOCAPH8119.1°120.1°
CAOCAECAD113.0°109.5°
CAOCAEH6108.6°109.5°
CAOCAEH7108.6°109.4°
CAZC5C4119.9°119.9°
C5CAZCBE120.2°119.8°
C5CAZH16119.9°120.1°
C5C4N3120.5°118.8°
C5C4CBC119.9°119.4°
CAZCBECBD119.3°120.8°
CAZCBEH15120.3°119.6°
CBECAZH16119.9°120.1°
CAECADCAC113.0°109.5°
CAECADH4108.6°109.5°
CAECADH5108.6°109.4°
CADCAEH6108.6°109.5°
CADCAEH7108.6°109.5°
N3C4CBC119.5°121.8°
CADCACOAA124.0°120.0°
CADCACCAB114.5°120.0°
CACCADH4108.6°109.5°
CACCADH5108.6°109.5°
C4CBCCBD120.3°119.4°
C4CBCH12119.8°120.3°
OAACACCAB121.5°120.0°
CBECBDCBC120.3°120.7°
CBECBDNAU120.9°119.6°
CBDCBEH15120.3°119.6°
CACCABH1109.5°109.5°
CACCABH2109.5°109.4°
CACCABH3109.5°109.4°
CBCCBDNAU118.8°119.7°
CBDCBCH12119.8°120.3°
CBDNAUH13109.5°120.0°
CBDNAUH14109.5°120.1°
H1CABH2109.4°109.5°
H1CABH3109.5°109.5°
H2CABH3109.4°109.5°
H4CADH5109.5°109.5°
H6CAEH7109.5°109.5°
H13NAUH14109.5°120.0°
H18CASH19109.4°109.5°
H20CARH21109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAGCAHCAIH24180.0°180.0°
CAHCAGCAFH23180.0°179.9°
CAGCAHCAICAJ0.8°0.3°
CAHCAGCAFCAK0.6°0.1°
CAHCAGCAFH22179.4°179.9°
CAGCAHCAIH25179.2°180.0°
CAICAHCAGCAF0.4°0.0°
CAHCAICAJH25180.0°179.7°
CAHCAICAJCAK1.8°0.6°
CAICAHCAGH23179.6°180.0°
CAHCAICAJH26178.2°180.0°
CAGCAFCAKH22180.0°179.9°
CAGCAFCAKCAJ0.4°0.4°
CAGCAFCAKCAR175.0°180.0°
CAFCAGCAHH24179.6°180.0°
CAICAJCAKCAF1.5°0.7°
CAICAJCAKH26180.0°179.3°
CAICAJCAKCAR175.6°179.7°
CAJCAICAHH24179.2°179.7°
CAFCAKCAJCAR174.0°179.6°
CAFCAKCARCAS73.7°90.1°
CAFCAKCARH20166.0°29.9°
CAFCAKCARH2146.6°150.0°
CAKCAFCAGH23179.4°180.0°
CAFCAKCAJH26178.5°180.0°
CAJCAKCARCAS112.0°90.3°
CAJCAKCARH208.3°149.7°
CAJCAKCARH21127.7°29.7°
CAJCAKCAFH22179.6°179.7°
CAKCAJCAIH25178.2°179.7°
CAKCARCASH20120.3°120.0°
CAKCARCASH21120.4°120.0°
CAKCARCASNAT179.3°180.0°
CAKCARCASH1859.2°60.0°
CAKCARCASH1960.6°60.0°
CAKCARH20H21119.0°120.0°
CARCAKCAFH225.0°0.1°
CARCAKCAJH264.4°0.4°
CARCASNATH18120.2°120.0°
CARCASNATH19120.1°120.0°
CARCASNATC6158.4°180.0°
CARCASNATH1737.7°0.0°
CARCASH18H19119.6°120.0°
CASCARH20H21118.9°120.0°
CASNATC6H17120.7°180.0°
CASNATC6N129.3°0.0°
CASNATC6C5149.3°180.0°
NATCASH18H19119.6°120.0°
NATCASCARH2060.4°60.0°
NATCASCARH2159.0°60.0°
NATC6N1C5178.6°180.0°
NATC6N1C2178.9°180.0°
NATC6C5CAZ1.0°0.0°
NATC6C5C4178.2°180.0°
C6NATCASH1881.5°60.0°
C6NATCASH1938.2°60.0°
CALCAMCANH10180.0°179.7°
CAMCALCAQH11180.0°179.7°
CALCAMCANCAO0.5°0.0°
CAMCALCAQC2178.5°180.0°
CAMCALCAQCAP2.2°0.5°
CALCAMCANH9179.5°179.9°
CANCAMCALCAQ0.8°0.3°
CAMCANCAOH9180.0°179.9°
CAMCANCAOCAP0.4°0.1°
CAMCANCAOCAE177.3°179.7°
CANCAMCALH11179.1°179.9°
CALCAQC2N117.0°0.0°
CALCAQC2CAP176.0°179.5°
CALCAQC2N3160.7°179.7°
CALCAQCAPCAO2.4°0.5°
CALCAQCAPH8177.6°179.4°
CAQCALCAMH10179.1°180.0°
C6N1C2CAQ176.1°180.0°
C6N1C2N31.6°0.3°
N1C6C5CAZ177.6°180.0°
N1C6C5C40.4°0.0°
N1C6NATH17150.0°180.0°
C2N1C6C50.2°0.0°
N1C2CAQN3177.7°179.7°
N1C2CAQCAP167.0°179.5°
N1C2N3C42.3°0.6°
CANCAOCAPCAQ1.1°0.2°
CANCAOCAPCAE176.8°179.8°
CANCAOCAECAD61.0°90.2°
CANCAOCAEH659.6°149.7°
CANCAOCAEH7178.5°29.8°
CANCAOCAPH8178.9°179.7°
CAOCANCAMH10179.5°179.7°
C6C5CAZC4177.1°180.0°
C6C5CAZCBE177.9°180.0°
C6C5C4N30.3°0.3°
C6C5C4CBC178.4°180.0°
C6C5CAZH162.1°0.0°
C5C6NATH1728.7°0.0°
C2CAQCAPCAO178.3°180.0°
CAQC2N3C4175.3°179.7°
C2CAQCAPH81.7°0.0°
C2CAQCALH111.4°0.3°
CAPCAQC2N315.3°0.8°
CAQCAPCAOH8180.0°180.0°
CAQCAPCAOCAE175.7°180.0°
CAPCAQCALH11177.7°179.8°
C2N3C4C51.7°0.5°
C2N3C4CBC179.8°179.7°
CAPCAOCAECAD122.3°90.0°
CAPCAOCAEH6117.2°30.0°
CAPCAOCAEH71.8°150.0°
CAPCAOCANH9179.7°180.0°
CAOCAECADH6120.5°120.0°
CAOCAECADH7120.5°120.0°
CAOCAECADCAC53.1°180.0°
CAOCAECADH467.4°60.0°
CAOCAECADH5173.6°60.0°
CAOCAEH6H7118.4°119.9°
CAECAOCAPH84.3°0.0°
CAECAOCANH92.7°0.2°
C5CAZCBEH16180.0°180.0°
CAZC5C4N3177.0°179.7°
CAZC5C4CBC1.1°0.0°
C5CAZCBECBD0.1°0.1°
C5CAZCBEH15179.9°180.0°
C4C5CAZCBE0.9°0.1°
C5C4N3CBC178.1°179.7°
C5C4CBCCBD0.6°0.1°
C5C4CBCH12179.4°180.0°
C4C5CAZH16179.1°180.0°
CAZCBECBDH15180.0°179.9°
CAZCBECBDCBC0.5°0.1°
CAZCBECBDNAU178.6°179.9°
CAECADCACH4120.5°120.0°
CAECADCACH5120.5°120.0°
CAECADCACOAA108.5°0.1°
CAECADCACCAB72.2°180.0°
CAECADH4H5118.4°120.0°
CADCAEH6H7118.4°120.0°
N3C4CBCCBD177.5°179.7°
N3C4CBCH122.5°0.2°
CADCACOAACAB179.2°179.9°
CADCACCABH1179.3°90.0°
CADCACCABH259.3°30.0°
CADCACCABH360.7°149.9°
CACCADH4H5118.4°120.0°
CACCADCAEH6173.6°60.0°
CACCADCAEH767.4°60.0°
C4CBCCBDCBE0.2°0.1°
C4CBCCBDH12180.0°179.9°
C4CBCCBDNAU178.9°180.0°
OAACACCABH10.0°90.1°
OAACACCABH2120.0°149.9°
OAACACCABH3120.0°30.0°
OAACACCADH412.0°119.9°
OAACACCADH5131.0°120.1°
CBECBDCBCNAU179.1°179.9°
CBECBDCBCH12179.8°180.0°
CBECBDNAUH13180.0°179.9°
CBECBDNAUH1460.0°0.1°
CBDCBECAZH16179.9°179.9°
CACCABH1H2120.0°120.0°
CACCABH1H3120.0°120.0°
CACCABH2H3120.0°119.9°
CABCACCADH4167.2°60.0°
CABCACCADH548.3°60.0°
CBCCBDNAUH130.9°0.0°
CBCCBDNAUH14120.9°180.0°
CBCCBDCBEH15179.5°180.0°
NAUCBDCBCH121.1°0.1°
CBDNAUH13H14120.0°180.0°
NAUCBDCBEH151.4°0.1°
H1CABH2H3120.0°120.1°
H4CADCAEH653.1°180.0°
H4CADCAEH7172.1°60.0°
H5CADCAEH665.9°60.0°
H5CADCAEH753.1°180.0°
H9CANCAMH100.4°0.2°
H10CAMCALH110.9°0.3°
H15CBECAZH160.1°0.1°
H17NATCASH18157.9°120.0°
H17NATCASH1982.4°120.0°
H18CASCARH20179.5°180.0°
H18CASCARH2161.2°60.0°
H19CASCARH2059.8°60.0°
H19CASCARH21179.1°180.0°
H22CAFCAGH230.5°0.1°
H23CAGCAHH240.4°0.1°
H24CAHCAIH250.8°0.0°
H25CAICAJH261.8°0.3°

222415

PDB entries from 2024-07-10

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