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B7B

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C6sing1.32Å1.40ÅAromatic
N1C2doub1.32Å1.34ÅAromatic
NASC2sing1.39Å1.35Å
NASCAVsing1.39Å1.34Å
C6C5doub1.40Å1.41ÅAromatic
C2N3sing1.32Å1.35ÅAromatic
CAECAVdoub1.39Å1.40ÅAromatic
CAECAGsing1.38Å1.40ÅAromatic
CAVCAFsing1.39Å1.40ÅAromatic
CAFCAHdoub1.38Å1.40ÅAromatic
CAGCAWdoub1.40Å1.40ÅAromatic
N3C4doub1.34Å1.36ÅAromatic
C5NBDsing1.38Å1.37Å
C5C4sing1.38Å1.41ÅAromatic
CAANBDsing1.46Å1.52Å
NABCATsing1.35Å1.34Å
CAHCAWsing1.40Å1.40ÅAromatic
NBDCAUsing1.30Å1.36Å
CAWCATsing1.47Å1.41Å
C4NBEsing1.38Å1.37Å
CAUOADdoub1.21Å1.23Å
CAUCBBsing1.50Å1.42Å
CATOACdoub1.22Å1.23Å
CBBCBCsing1.55Å1.54Å
CBBCAOsing1.57Å1.57Å
NBECBAsing1.47Å1.54Å
NBECBCsing1.42Å1.52Å
CBACAMsing1.55Å1.55Å
CBACANsing1.55Å1.53Å
CBCCAPsing1.52Å1.53Å
CAOCALsing1.55Å1.56Å
CAMCAJsing1.54Å1.51Å
CAJCAKsing1.54Å1.52Å
CANCAKsing1.54Å1.53Å
CAPCALsing1.55Å1.50Å
C6H1sing1.08Å1.08Å
CAMH2sing1.09Å1.10Å
CAMH3sing1.09Å1.10Å
CAJH4sing1.09Å1.10Å
CAJH5sing1.09Å1.10Å
CAKH6sing1.09Å1.10Å
CAKH7sing1.09Å1.10Å
CANH8sing1.09Å1.10Å
CANH9sing1.09Å1.10Å
CBAH10sing1.09Å1.10Å
CBCH11sing1.09Å1.10Å
CAPH12sing1.09Å1.10Å
CAPH13sing1.09Å1.10Å
CALH14sing1.09Å1.10Å
CALH15sing1.09Å1.10Å
CAOH16sing1.09Å1.10Å
CAOH17sing1.09Å1.10Å
CBBH18sing1.09Å1.10Å
CAAH19sing1.09Å1.10Å
CAAH20sing1.09Å1.10Å
CAAH21sing1.09Å1.10Å
NASH22sing0.97Å1.00Å
CAEH23sing1.08Å1.08Å
CAGH24sing1.08Å1.08Å
NABH25sing0.97Å1.00Å
NABH26sing0.97Å1.00Å
CAHH27sing1.08Å1.08Å
CAFH28sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C6N1C2120.2°120.4°
N1C6C5122.2°120.0°
N1C6H1118.9°120.0°
N1C2NAS117.5°119.2°
N1C2N3117.7°121.5°
C2NASCAV122.1°120.0°
NASC2N3124.8°119.3°
C2NASH22119.0°120.0°
NASCAVCAE122.3°120.0°
NASCAVCAF119.1°119.9°
CAVNASH22118.9°119.9°
C6C5NBD115.1°116.9°
C6C5C4115.8°118.1°
C5C6H1118.9°120.0°
C2N3C4126.1°121.5°
CAVCAECAG120.7°120.1°
CAECAVCAF118.6°120.2°
CAVCAEH23119.6°120.0°
CAECAGCAW120.9°119.9°
CAGCAEH23119.6°120.0°
CAECAGH24119.6°120.0°
CAVCAFCAH120.7°120.0°
CAVCAFH28119.6°120.0°
CAFCAHCAW120.9°120.0°
CAFCAHH27119.5°120.0°
CAHCAFH28119.6°120.0°
CAGCAWCAH118.2°119.8°
CAGCAWCAT121.9°120.1°
CAWCAGH24119.6°120.0°
N3C4C5118.1°118.4°
N3C4NBE111.8°115.6°
NBDC5C4129.0°124.9°
C5NBDCAA120.0°112.6°
C5NBDCAU126.9°134.8°
C5C4NBE130.2°126.0°
CAANBDCAU113.0°112.6°
NBDCAAH19109.5°109.5°
NBDCAAH20109.5°109.5°
NBDCAAH21109.4°109.5°
NABCATCAW117.8°120.0°
NABCATOAC121.6°120.0°
CATNABH25120.0°120.0°
CATNABH26120.0°120.0°
CAHCAWCAT119.9°120.1°
CAWCAHH27119.6°120.0°
NBDCAUOAD114.7°115.7°
NBDCAUCBB128.9°128.6°
CAWCATOAC120.5°120.0°
C4NBECBA117.4°111.0°
C4NBECBC125.9°119.2°
OADCAUCBB116.3°115.7°
CAUCBBCBC118.0°109.2°
CAUCBBCAO112.7°104.2°
CAUCBBH18110.7°114.3°
CBCCBBCAO97.1°99.4°
CBBCBCNBE119.2°115.1°
CBBCBCCAP101.3°105.3°
CBBCBCH11106.5°104.3°
CBCCBBH18109.0°114.1°
CBBCAOCAL108.4°103.3°
CBBCAOH16109.7°110.7°
CBBCAOH17109.7°110.8°
CAOCBBH18108.5°114.3°
CBANBECBC116.4°111.0°
NBECBACAM118.0°110.7°
NBECBACAN114.0°110.8°
NBECBAH10107.9°110.8°
NBECBCCAP115.5°119.4°
NBECBCH11106.8°105.9°
CAMCBACAN100.6°102.7°
CBACAMCAJ98.3°104.2°
CBACAMH2112.2°110.5°
CBACAMH3112.2°110.6°
CAMCBAH10107.8°110.8°
CBACANCAK104.1°104.2°
CBACANH8110.8°110.5°
CBACANH9110.8°110.5°
CANCBAH10108.1°110.7°
CBCCAPCAL103.0°104.9°
CAPCBCH11106.6°105.5°
CBCCAPH12111.0°110.3°
CBCCAPH13111.0°110.4°
CAOCALCAP102.2°106.3°
CAOCALH14111.3°110.1°
CAOCALH15111.2°110.2°
CALCAOH16109.8°110.7°
CALCAOH17109.7°110.6°
CAMCAJCAK104.1°106.6°
CAJCAMH2112.2°110.5°
CAJCAMH3112.2°110.5°
CAMCAJH4110.8°110.1°
CAMCAJH5110.8°110.0°
CAJCAKCAN105.4°106.6°
CAKCAJH4110.8°110.0°
CAKCAJH5110.8°110.0°
CAJCAKH6110.5°110.0°
CAJCAKH7110.5°110.0°
CANCAKH6110.5°110.0°
CANCAKH7110.5°110.1°
CAKCANH8110.8°110.5°
CAKCANH9110.8°110.5°
CALCAPH12111.1°110.3°
CALCAPH13111.1°110.4°
CAPCALH14111.2°110.1°
CAPCALH15111.3°110.1°
H2CAMH3109.5°110.5°
H4CAJH5109.5°110.1°
H6CAKH7109.5°110.1°
H8CANH9109.5°110.5°
H12CAPH13109.5°110.4°
H14CALH15109.5°110.0°
H16CAOH17109.5°110.6°
H19CAAH20109.4°109.4°
H19CAAH21109.5°109.4°
H20CAAH21109.5°109.4°
H25NABH26120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C6N1C2NAS179.4°179.2°
N1C6C5H1180.0°179.9°
C6N1C2N30.1°0.8°
N1C6C5NBD179.0°178.6°
N1C6C5C40.2°1.1°
N1C2NASN3179.4°180.0°
N1C2NASCAV170.9°5.6°
C2N1C6C50.4°0.2°
N1C2N3C40.5°0.1°
C2N1C6H1179.6°179.9°
N1C2NASH229.2°174.4°
C2NASCAVH22180.0°180.0°
C2NASCAVCAE57.1°146.9°
C2NASCAVCAF124.8°33.4°
NASC2N3C4180.0°179.9°
CAVNASC2N39.7°174.4°
NASCAVCAECAF178.1°179.7°
NASCAVCAECAG179.8°180.0°
NASCAVCAFCAH179.5°179.8°
NASCAVCAEH230.2°0.0°
NASCAVCAFH280.5°0.0°
C6C5C4N30.4°1.8°
C6C5NBDC4179.1°179.7°
C6C5NBDCAA23.4°12.9°
C6C5NBDCAU160.4°167.0°
C6C5C4NBE178.8°177.8°
C2N3C4C50.8°1.2°
C2N3C4NBE179.5°178.4°
N3C2NASH22170.3°5.6°
CAVCAECAGH23180.0°180.0°
CAECAVCAFCAH1.3°0.5°
CAVCAECAGCAW1.5°0.0°
CAECAVNASH22122.9°33.1°
CAVCAECAGH24178.5°179.9°
CAECAVCAFH28178.7°179.7°
CAGCAECAVCAF1.7°0.3°
CAECAGCAWH24180.0°180.0°
CAECAGCAWCAH0.9°0.0°
CAECAGCAWCAT179.8°180.0°
CAVCAFCAHH28180.0°179.8°
CAVCAFCAHCAW0.8°0.5°
CAFCAVNASH2255.2°146.6°
CAFCAVCAEH23178.3°179.7°
CAVCAFCAHH27179.2°179.8°
CAFCAHCAWCAG0.5°0.2°
CAFCAHCAWH27180.0°179.7°
CAFCAHCAWCAT179.5°179.7°
CAGCAWCATNAB38.9°180.0°
CAGCAWCAHCAT179.0°180.0°
CAGCAWCATOAC140.5°0.1°
CAWCAGCAEH23178.5°180.0°
CAGCAWCAHH27179.4°180.0°
N3C4C5NBD179.4°177.9°
N3C4C5NBE178.5°179.6°
N3C4NBECBA2.1°87.8°
N3C4NBECBC171.5°141.3°
C5NBDCAACAU176.7°180.0°
NBDC5C4NBE2.1°2.5°
C5NBDCAUOAD179.9°165.4°
C5NBDCAUCBB3.8°14.6°
NBDC5C6H11.0°1.5°
C5NBDCAAH19180.0°86.7°
C5NBDCAAH2060.0°153.3°
C5NBDCAAH2160.0°33.3°
C4C5NBDCAA155.7°166.7°
C4C5NBDCAU20.5°13.3°
C5C4NBECBA179.3°92.6°
C5C4NBECBC7.1°38.3°
C4C5C6H1179.8°178.8°
CAANBDCAUOAD3.7°14.6°
CAANBDCAUCBB179.7°165.5°
NBDCAAH19H20120.0°120.1°
NBDCAAH19H21120.0°120.0°
NBDCAAH20H21120.0°120.0°
NABCATCAWCAH142.2°0.0°
NABCATCAWOAC179.5°179.9°
CATNABH25H26180.0°180.0°
CAHCAWCATOAC38.4°180.0°
CAHCAWCAGH24179.1°180.0°
CAWCAHCAFH28179.2°179.7°
NBDCAUOADCBB176.5°180.0°
NBDCAUCBBCBC47.8°34.2°
NBDCAUCBBCAO159.7°139.7°
NBDCAUCBBH1878.6°94.9°
CAUNBDCAAH193.3°93.3°
CAUNBDCAAH20123.3°26.7°
CAUNBDCAAH21116.7°146.7°
CATCAWCAGH240.1°0.1°
CAWCATNABH25179.5°0.0°
CAWCATNABH260.5°180.0°
CATCAWCAHH270.5°0.0°
C4NBECBCCBB22.6°79.1°
C4NBECBACBC174.2°135.0°
C4NBECBACAM164.3°168.8°
C4NBECBACAN78.0°55.5°
C4NBECBCCAP98.5°47.6°
C4NBECBAH1042.0°67.8°
C4NBECBCH11143.2°166.2°
OADCAUCBBCBC136.3°145.7°
OADCAUCBBCAO24.4°40.3°
OADCAUCBBH1897.3°85.2°
CAUCBBCBCCAO120.4°108.7°
CAUCBBCBCH18127.2°129.2°
CAUCBBCAOH18122.9°125.4°
CAUCBBCBCNBE55.4°69.1°
CAUCBBCBCCAP72.5°64.5°
CAUCBBCAOCAL95.8°70.6°
CAUCBBCBCH11176.2°175.3°
CAUCBBCAOH16144.3°47.9°
CAUCBBCAOH1724.0°171.0°
OACCATNABH250.0°179.9°
OACCATNABH26180.0°0.1°
CBCCBBCAOH18112.8°121.9°
CBBCBCNBECBA151.1°51.7°
CBBCBCNBECAP121.0°126.7°
CBBCBCNBEH11120.6°114.7°
CBBCBCCAPH11111.3°110.0°
CBCCBBCAOCAL28.5°42.1°
CBBCBCCAPCAL52.8°29.0°
CBBCBCCAPH1266.2°89.8°
CBBCBCCAPH13171.8°148.0°
CBCCBBCAOH1691.3°160.6°
CBCCBBCAOH17148.3°76.3°
CAOCBBCBCNBE175.8°177.8°
CAOCBBCBCCAP47.8°44.2°
CBBCAOCALH16119.8°118.5°
CBBCAOCALH17119.8°118.5°
CBBCAOCALCAP1.9°25.7°
CAOCBBCBCH1163.5°66.6°
CBBCAOCALH14116.9°93.5°
CBBCAOCALH15120.8°144.9°
CBBCAOH16H17120.5°123.2°
NBECBACAMCAN124.6°118.3°
NBECBACAMH10122.4°123.4°
NBECBACANH10119.9°123.4°
CBANBECBCCAP87.9°178.5°
NBECBACAMCAJ175.8°156.3°
NBECBACANCAK164.9°156.3°
NBECBACAMH266.0°37.6°
NBECBACAMH357.7°85.0°
NBECBACANH845.8°85.0°
NBECBACANH976.0°37.5°
CBANBECBCH1130.5°63.0°
CBCNBECBACAM9.9°56.2°
CBCNBECBACAN107.8°169.5°
NBECBCCAPH11118.4°118.8°
NBECBCCAPCAL176.9°160.3°
CBCNBECBAH10132.2°67.2°
NBECBCCAPH1264.2°41.4°
NBECBCCAPH1357.9°80.8°
NBECBCCBBH1871.8°60.1°
CAMCBACANH10112.8°118.3°
CBACAMCAJH2118.2°118.7°
CBACAMCAJH3118.1°118.8°
CBACAMCAJCAK45.8°23.6°
CAMCBACANCAK37.7°38.0°
CBACAMH2H3125.2°122.7°
CBACAMCAJH473.3°95.6°
CBACAMCAJH5165.0°142.9°
CAMCBACANH881.5°156.7°
CAMCBACANH9156.8°80.8°
CANCBACAMCAJ51.2°38.0°
CBACANCAKCAJ9.5°23.6°
CBACANCAKH8119.2°118.7°
CBACANCAKH9119.2°118.8°
CANCBACAMH2169.4°80.7°
CANCBACAMH366.9°156.7°
CBACANCAKH6109.8°95.6°
CBACANCAKH7128.9°142.9°
CBACANH8H9122.5°122.6°
CBCCAPCALCAO32.3°1.6°
CBCCAPCALH12118.9°118.8°
CBCCAPCALH13119.0°118.9°
CBCCAPH12H13123.0°122.3°
CBCCAPCALH1486.5°120.8°
CBCCAPCALH15151.1°117.7°
CAPCBCCBBH18160.2°166.3°
CAOCALCAPH14118.8°119.2°
CAOCALCAPH15118.8°119.3°
CAOCALCAPH1286.6°117.2°
CAOCALCAPH13151.3°120.5°
CAOCALH14H15123.3°121.6°
CALCAOH16H17120.5°123.0°
CALCAOCBBH18141.3°164.0°
CAMCAJCAKH4119.1°119.3°
CAMCAJCAKH5119.1°119.2°
CAMCAJCAKCAN23.2°0.0°
CAJCAMH2H3125.2°122.5°
CAMCAJH4H5122.5°121.4°
CAMCAJCAKH6142.5°119.3°
CAMCAJCAKH796.2°119.3°
CAJCAMCBAH1061.8°80.3°
CAJCAKCANH6119.4°119.2°
CAJCAKCANH7119.4°119.3°
CAKCAJCAMH2164.0°95.1°
CAKCAJCAMH372.3°142.4°
CAKCAJH4H5122.5°121.4°
CAJCAKH6H7121.9°121.4°
CAJCAKCANH8109.6°142.3°
CAJCAKCANH9128.7°95.2°
CANCAKCAJH496.0°119.3°
CANCAKCAJH5142.3°119.3°
CANCAKH6H7121.9°121.5°
CAKCANH8H9122.5°122.6°
CAKCANCBAH1075.2°80.4°
CALCAPCBCH1158.5°80.9°
CALCAPH12H13123.0°122.3°
CAPCALH14H15123.4°121.5°
CAPCALCAOH16121.8°144.2°
CAPCALCAOH17117.9°92.8°
H2CAMCAJH444.8°145.7°
H2CAMCAJH576.9°24.2°
H2CAMCBAH1056.4°161.0°
H3CAMCAJH4168.6°23.1°
H3CAMCAJH546.8°98.3°
H3CAMCBAH10179.9°38.4°
H4CAJCAKH623.4°0.0°
H4CAJCAKH7144.6°121.4°
H5CAJCAKH698.4°121.5°
H5CAJCAKH722.9°0.1°
H6CAKCANH8131.0°23.0°
H6CAKCANH99.3°145.6°
H7CAKCANH89.8°98.5°
H7CAKCANH9111.9°24.1°
H8CANCBAH10165.7°38.3°
H9CANCBAH1043.9°160.9°
H11CBCCAPH12177.4°160.2°
H11CBCCAPH1360.5°38.0°
H11CBCCBBH1848.9°55.5°
H12CAPCALH14154.5°2.0°
H12CAPCALH1532.2°123.5°
H13CAPCALH1432.4°120.3°
H13CAPCALH1589.9°1.2°
H14CALCAOH162.9°25.0°
H14CALCAOH17123.3°147.9°
H15CALCAOH16119.4°96.6°
H15CALCAOH171.0°26.4°
H16CAOCBBH1821.5°77.5°
H17CAOCBBH1898.9°45.6°
H19CAAH20H21120.0°119.9°
H23CAECAGH241.5°0.0°
H27CAHCAFH280.8°0.0°

223532

PDB entries from 2024-08-07

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