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SS6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C4C5doub1.42Å1.41ÅAromatic
C4N3sing1.34Å1.33ÅAromatic
C4CAOsing1.40Å1.40ÅAromatic
C5C6sing1.42Å1.40ÅAromatic
C5CASsing1.40Å1.42ÅAromatic
C6N1doub1.33Å1.36ÅAromatic
C6NAYsing1.38Å1.34Å
N1C2sing1.32Å1.33ÅAromatic
N3C2doub1.31Å1.34ÅAromatic
CAACBAsing1.51Å1.55Å
CAAHAAsing1.09Å1.10Å
CAAHAAAsing1.09Å1.10Å
CAAHAABsing1.09Å1.10Å
CBACAPdoub1.38Å1.39ÅAromatic
CBACAJsing1.38Å1.39ÅAromatic
CAPCBEsing1.39Å1.38ÅAromatic
CAPHAPsing1.08Å1.08Å
CAJCAHdoub1.38Å1.39ÅAromatic
CAJHAJsing1.08Å1.08Å
CAHCAMsing1.38Å1.40ÅAromatic
CAHHAHsing1.08Å1.08Å
CAMCBEdoub1.39Å1.40ÅAromatic
CAMHAMsing1.08Å1.08Å
CBENBKsing1.40Å1.34ÅAromatic
NBKNAVsing1.40Å1.25ÅAromatic
NBKCBGsing1.36Å1.34ÅAromatic
NAVCBFdoub1.31Å1.32ÅAromatic
CBFCBLsing1.51Å1.55Å
CBFCARsing1.40Å1.35ÅAromatic
CBLCACsing1.53Å1.53Å
CBLCADsing1.53Å1.55Å
CBLCABsing1.53Å1.51Å
CACHACsing1.09Å1.10Å
CACHACAsing1.09Å1.10Å
CACHACBsing1.09Å1.10Å
CADHADsing1.09Å1.10Å
CADHADAsing1.09Å1.10Å
CADHADBsing1.09Å1.10Å
CABHABsing1.09Å1.10Å
CABHABAsing1.09Å1.10Å
CABHABBsing1.09Å1.10Å
CARCBGdoub1.36Å1.36ÅAromatic
CARHARsing1.08Å1.08Å
NAXCBGsing1.39Å1.36Å
NAXCAZsing1.35Å1.36Å
CAZOAFdoub1.22Å1.23Å
CAZNAWsing1.35Å1.34Å
NAWCBCsing1.40Å1.37Å
NAWHNAWsing0.97Å1.00Å
CBCCAQdoub1.39Å1.40ÅAromatic
CBCCAKsing1.39Å1.41ÅAromatic
CAQCBDsing1.39Å1.40ÅAromatic
CAQHAQsing1.08Å1.08Å
CAKCAGdoub1.38Å1.39ÅAromatic
CAKHAKsing1.08Å1.08Å
CAGCALsing1.38Å1.40ÅAromatic
CAGHAGsing1.08Å1.08Å
CALCBDdoub1.39Å1.40ÅAromatic
CALHALsing1.08Å1.08Å
CBDNAYsing1.40Å1.34Å
CASCBBdoub1.38Å1.41ÅAromatic
CASHASsing1.08Å1.08Å
CBBNAEsing1.40Å1.37Å
CBBCANsing1.40Å1.42ÅAromatic
NAEHNAEsing0.97Å1.00Å
NAEHNAAsing0.97Å1.00Å
CANCAOdoub1.36Å1.42ÅAromatic
CANHANsing1.08Å1.08Å
CAOHAOsing1.08Å1.08Å
C2H2sing1.08Å1.08Å
NAXH29sing0.97Å1.00Å
NAYH30sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C5C4N3118.9°118.7°
C5C4CAO120.6°119.5°
C4C5C6117.8°118.2°
C4C5CAS119.8°119.8°
N3C4CAO120.5°121.8°
C4N3C2121.9°120.5°
C4CAOCAN119.2°119.8°
C4CAOHAO120.4°120.1°
C6C5CAS122.4°122.0°
C5C6N1119.8°118.2°
C5C6NAY120.3°120.9°
C5CASCBB120.6°119.3°
C5CASHAS119.7°120.4°
N1C6NAY119.9°120.9°
C6N1C2120.2°121.5°
C6NAYCBD123.1°119.9°
C6NAYH30118.4°120.0°
N1C2N3121.3°122.9°
N1C2H2119.3°118.6°
N3C2H2119.4°118.5°
CBACAAHAA109.5°109.5°
CBACAAHAAA109.5°109.5°
CBACAAHAAB109.4°109.5°
CAACBACAP119.2°120.0°
CAACBACAJ120.9°119.9°
HAACAAHAAA109.4°109.4°
HAACAAHAAB109.5°109.4°
HAAACAAHAAB109.5°109.5°
CAPCBACAJ119.8°120.1°
CBACAPCBE120.6°119.9°
CBACAPHAP119.7°120.1°
CBACAJCAH120.1°120.1°
CBACAJHAJ119.9°119.9°
CBECAPHAP119.7°120.0°
CAPCBECAM120.0°119.8°
CAPCBENBK117.8°120.1°
CAHCAJHAJ119.9°119.9°
CAJCAHCAM119.9°120.0°
CAJCAHHAH120.0°120.0°
CAMCAHHAH120.0°120.0°
CAHCAMCBE119.4°120.0°
CAHCAMHAM120.3°120.0°
CBECAMHAM120.3°120.0°
CAMCBENBK122.1°120.1°
CBENBKNAV122.7°126.1°
CBENBKCBG126.2°126.1°
NAVNBKCBG111.1°107.8°
NBKNAVCBF108.4°108.4°
NBKCBGCAR106.5°107.5°
NBKCBGNAX126.3°126.2°
NAVCBFCBL122.1°125.7°
NAVCBFCAR109.1°108.5°
CBLCBFCAR128.7°125.7°
CBFCBLCAC108.5°109.5°
CBFCBLCAD109.6°109.5°
CBFCBLCAB110.8°109.4°
CBFCARCBG104.8°107.8°
CBFCARHAR127.6°126.0°
CACCBLCAD109.1°109.5°
CACCBLCAB109.0°109.5°
CBLCACHAC109.5°109.5°
CBLCACHACA109.5°109.5°
CBLCACHACB109.4°109.5°
CADCBLCAB109.8°109.5°
CBLCADHAD109.5°109.5°
CBLCADHADA109.5°109.5°
CBLCADHADB109.5°109.5°
CBLCABHAB109.5°109.5°
CBLCABHABA109.5°109.4°
CBLCABHABB109.5°109.5°
HACCACHACA109.5°109.5°
HACCACHACB109.4°109.4°
HACACACHACB109.5°109.4°
HADCADHADA109.5°109.5°
HADCADHADB109.5°109.5°
HADACADHADB109.5°109.4°
HABCABHABA109.5°109.5°
HABCABHABB109.4°109.5°
HABACABHABB109.5°109.4°
CBGCARHAR127.6°126.1°
CARCBGNAX126.5°126.3°
CBGNAXCAZ129.1°120.0°
CBGNAXH29115.4°120.1°
NAXCAZOAF123.5°120.0°
NAXCAZNAW114.3°120.0°
CAZNAXH29115.5°120.0°
OAFCAZNAW121.9°120.0°
CAZNAWCBC130.8°120.0°
CAZNAWHNAW114.6°120.0°
CBCNAWHNAW114.6°120.0°
NAWCBCCAQ123.7°120.1°
NAWCBCCAK117.3°120.0°
CAQCBCCAK119.0°119.9°
CBCCAQCBD119.8°119.9°
CBCCAQHAQ120.1°120.0°
CBCCAKCAG121.7°120.1°
CBCCAKHAK119.2°119.9°
CBDCAQHAQ120.1°120.1°
CAQCBDCAL120.4°119.9°
CAQCBDNAY119.3°120.1°
CAGCAKHAK119.1°120.0°
CAKCAGCAL118.6°120.2°
CAKCAGHAG120.7°119.9°
CALCAGHAG120.7°119.9°
CAGCALCBD120.5°120.0°
CAGCALHAL119.8°120.0°
CBDCALHAL119.8°120.0°
CALCBDNAY120.3°120.0°
CBDNAYH30118.4°120.0°
CBBCASHAS119.7°120.3°
CASCBBNAE121.3°119.6°
CASCBBCAN118.6°120.6°
NAECBBCAN120.0°119.7°
CBBNAEHNAE109.5°120.1°
CBBNAEHNAA109.5°120.0°
CBBCANCAO121.2°121.0°
CBBCANHAN119.4°119.6°
HNAENAEHNAA109.4°119.9°
CAOCANHAN119.4°119.5°
CANCAOHAO120.4°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C5C4N3CAO178.3°179.7°
C4C5C6CAS179.8°180.0°
C4C5C6N10.1°0.0°
C4C5C6NAY179.9°180.0°
C5C4N3C20.9°0.1°
C4C5CASCBB0.8°0.0°
C4C5CASHAS179.2°180.0°
C5C4CAOCAN1.2°0.5°
C5C4CAOHAO178.8°180.0°
N3C4C5C60.5°0.0°
N3C4C5CAS179.7°180.0°
C4N3C2N10.7°0.1°
N3C4CAOCAN179.5°179.8°
N3C4CAOHAO0.5°0.2°
C4N3C2H2179.4°179.9°
CAOC4C5C6178.8°179.7°
CAOC4C5CAS1.4°0.2°
CAOC4N3C2179.2°179.7°
C4CAOCANCBB0.4°0.5°
C4CAOCANHAO180.0°179.5°
C4CAOCANHAN179.7°179.7°
C5C6N1NAY179.9°180.0°
C5C6N1C20.4°0.0°
C5C6NAYCBD161.4°174.3°
C6C5CASCBB179.4°180.0°
C6C5CASHAS0.6°0.1°
C5C6NAYH3018.7°5.6°
CASC5C6N1179.7°180.0°
CASC5C6NAY0.2°0.0°
C5CASCBBHAS180.0°179.9°
C5CASCBBNAE179.5°180.0°
C5CASCBBCAN0.0°0.0°
C6N1C2N30.0°0.0°
N1C6NAYCBD18.6°5.6°
C6N1C2H2180.0°180.0°
N1C6NAYH30161.4°174.4°
NAYC6N1C2179.7°180.0°
C6NAYCBDCAQ128.2°33.1°
C6NAYCBDCAL52.8°146.9°
C6NAYCBDH30180.0°180.0°
N1C2N3H2180.0°180.0°
CBACAAHAAHAAA120.0°120.1°
CBACAAHAAHAAB120.0°120.0°
CBACAAHAAAHAAB120.0°120.0°
CAACBACAPCAJ179.7°179.7°
CAACBACAPCBE179.5°180.0°
CAACBACAPHAP0.5°0.1°
CAACBACAJCAH179.2°180.0°
CAACBACAJHAJ0.8°0.0°
HAACAAHAAAHAAB120.0°119.9°
HAACAACBACAP149.2°90.0°
HAACAACBACAJ31.2°90.3°
HAAACAACBACAP29.2°150.0°
HAAACAACBACAJ151.1°29.8°
HAABCAACBACAP90.8°29.9°
HAABCAACBACAJ88.9°149.8°
CBACAPCBEHAP180.0°179.9°
CAPCBACAJCAH1.2°0.3°
CAPCBACAJHAJ178.9°179.7°
CBACAPCBECAM1.2°0.0°
CBACAPCBENBK179.9°179.9°
CAJCBACAPCBE0.1°0.3°
CAJCBACAPHAP179.9°179.8°
CBACAJCAHHAJ180.0°180.0°
CBACAJCAHCAM1.4°0.0°
CBACAJCAHHAH178.6°180.0°
CAPCBECAMCAH0.9°0.3°
CAPCBECAMNBK178.9°179.9°
CAPCBECAMHAM179.1°180.0°
CAPCBENBKNAV41.5°34.9°
CAPCBENBKCBG140.9°144.7°
HAPCAPCBECAM178.8°179.9°
HAPCAPCBENBK0.1°0.0°
CAJCAHCAMHAH180.0°180.0°
CAJCAHCAMCBE0.4°0.3°
CAJCAHCAMHAM179.6°180.0°
HAJCAJCAHCAM178.6°180.0°
HAJCAJCAHHAH1.3°0.0°
CAHCAMCBEHAM180.0°179.7°
CAHCAMCBENBK179.9°179.8°
HAHCAHCAMCBE179.7°179.7°
HAHCAHCAMHAM0.3°0.0°
CAMCBENBKNAV137.5°145.0°
CAMCBENBKCBG40.1°35.4°
HAMCAMCBENBK0.1°0.1°
CBENBKNAVCBG177.9°179.7°
CBENBKNAVCBF179.7°180.0°
CBENBKCBGCAR178.6°179.8°
CBENBKCBGNAX7.4°0.0°
NBKNAVCBFCBL179.0°180.0°
NBKNAVCBFCAR0.7°0.0°
NAVNBKCBGCAR3.5°0.4°
NAVNBKCBGNAX174.8°179.7°
CBGNBKNAVCBF1.8°0.2°
NBKCBGCARCBF3.7°0.5°
NBKCBGCARNAX171.2°179.8°
NBKCBGCARHAR176.4°179.8°
NBKCBGNAXCAZ165.2°180.0°
NBKCBGNAXH2914.8°0.0°
NAVCBFCBLCAR178.0°179.9°
NAVCBFCBLCAC112.0°105.0°
NAVCBFCBLCAD7.1°15.1°
NAVCBFCBLCAB128.4°135.0°
NAVCBFCARCBG2.7°0.3°
NAVCBFCARHAR177.3°180.0°
CBFCBLCACCAD119.4°120.0°
CBFCBLCACCAB120.8°120.0°
CBFCBLCADCAB122.0°120.0°
CBFCBLCACHAC80.1°60.0°
CBFCBLCACHACA159.9°180.0°
CBFCBLCACHACB39.9°60.0°
CBFCBLCADHAD62.0°60.0°
CBFCBLCADHADA178.0°180.0°
CBFCBLCADHADB58.0°60.1°
CBFCBLCABHAB124.4°60.0°
CBFCBLCABHABA115.6°180.0°
CBFCBLCABHABB4.4°60.0°
CBLCBFCARCBG179.1°179.8°
CBLCBFCARHAR0.9°0.1°
CARCBFCBLCAC66.0°74.9°
CARCBFCBLCAD174.9°165.0°
CARCBFCBLCAB53.6°45.1°
CBFCARCBGHAR180.0°179.7°
CBFCARCBGNAX174.9°179.7°
CACCBLCADCAB119.4°120.0°
CBLCACHACHACA120.0°120.0°
CBLCACHACHACB120.0°120.0°
CBLCACHACAHACB120.0°120.0°
CACCBLCADHAD179.4°180.0°
CACCBLCADHADA59.4°59.9°
CACCBLCADHADB60.6°60.0°
CACCBLCABHAB5.1°60.0°
CACCBLCABHABA125.1°60.0°
CACCBLCABHABB114.9°179.9°
CADCBLCACHAC39.3°60.0°
CADCBLCACHACA80.7°60.0°
CADCBLCACHACB159.3°180.0°
CBLCADHADHADA120.0°120.0°
CBLCADHADHADB120.0°120.0°
CBLCADHADAHADB120.0°119.9°
CADCBLCABHAB114.4°180.0°
CADCBLCABHABA5.6°60.0°
CADCBLCABHABB125.6°59.9°
CABCBLCACHAC159.2°180.0°
CABCBLCACHACA39.2°60.0°
CABCBLCACHACB80.9°60.0°
CABCBLCADHAD60.0°60.0°
CABCBLCADHADA60.0°60.1°
CABCBLCADHADB180.0°180.0°
CBLCABHABHABA120.0°120.0°
CBLCABHABHABB120.0°120.1°
CBLCABHABAHABB120.0°120.0°
HACCACHACAHACB120.0°120.0°
HADCADHADAHADB120.0°120.0°
HABCABHABAHABB119.9°120.0°
CARCBGNAXCAZ25.2°0.2°
CARCBGNAXH29154.8°179.8°
HARCARCBGNAX5.1°0.0°
CBGNAXCAZH29180.0°180.0°
CBGNAXCAZOAF17.0°0.0°
CBGNAXCAZNAW168.1°180.0°
NAXCAZOAFNAW174.4°180.0°
NAXCAZNAWCBC175.7°175.2°
NAXCAZNAWHNAW4.2°4.7°
OAFCAZNAWCBC0.8°4.8°
OAFCAZNAWHNAW179.2°175.3°
OAFCAZNAXH29163.0°180.0°
CAZNAWCBCHNAW180.0°179.9°
CAZNAWCBCCAQ44.6°143.7°
CAZNAWCBCCAK136.5°36.5°
NAWCAZNAXH2911.9°0.0°
NAWCBCCAQCAK178.9°179.7°
NAWCBCCAQCBD179.4°180.0°
NAWCBCCAQHAQ0.6°0.0°
NAWCBCCAKCAG179.7°180.0°
NAWCBCCAKHAK0.3°0.1°
HNAWNAWCBCCAQ135.4°36.2°
HNAWNAWCBCCAK43.5°143.5°
CBCCAQCBDHAQ180.0°180.0°
CAQCBCCAKCAG0.8°0.3°
CAQCBCCAKHAK179.2°179.8°
CBCCAQCBDCAL0.5°0.0°
CBCCAQCBDNAY179.4°180.0°
CAKCBCCAQCBD0.5°0.2°
CAKCBCCAQHAQ179.5°179.8°
CBCCAKCAGHAK180.0°179.9°
CBCCAKCAGCAL1.1°0.0°
CBCCAKCAGHAG178.9°179.9°
CAQCBDCALCAG0.8°0.3°
CAQCBDCALNAY178.9°180.0°
CAQCBDCALHAL179.2°180.0°
CAQCBDNAYH3051.7°146.9°
HAQCAQCBDCAL179.4°180.0°
HAQCAQCBDNAY0.5°0.0°
CAKCAGCALHAG180.0°179.9°
CAKCAGCALCBD1.1°0.2°
CAKCAGCALHAL178.9°180.0°
HAKCAKCAGCAL178.9°180.0°
HAKCAKCAGHAG1.1°0.1°
CAGCALCBDHAL180.0°179.8°
CAGCALCBDNAY179.7°179.8°
HAGCAGCALCBD178.9°179.7°
HAGCAGCALHAL1.1°0.1°
CALCBDNAYH30127.2°33.1°
HALCALCBDNAY0.3°0.0°
CASCBBNAECAN179.6°179.9°
CASCBBNAEHNAE174.1°0.0°
CASCBBNAEHNAA54.1°180.0°
CASCBBCANCAO0.2°0.2°
CASCBBCANHAN179.7°180.0°
HASCASCBBNAE0.4°0.1°
HASCASCBBCAN180.0°180.0°
CBBNAEHNAEHNAA120.0°180.0°
NAECBBCANCAO179.3°179.7°
NAECBBCANHAN0.7°0.1°
CANCBBNAEHNAE6.4°179.9°
CANCBBNAEHNAA126.3°0.1°
CBBCANCAOHAN180.0°179.8°
CBBCANCAOHAO179.6°180.0°
HANCANCAOHAO0.3°0.2°

222415

PDB entries from 2024-07-10

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