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0Y2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBHCBIdoub1.39Å1.41ÅAromatic
CBHCBGsing1.36Å1.39ÅAromatic
CBICBJsing1.37Å1.39ÅAromatic
CBGCBCdoub1.41Å1.37ÅAromatic
CBJCBDdoub1.40Å1.40ÅAromatic
CBCCBDsing1.40Å1.50ÅAromatic
CBCCBBsing1.45Å1.42ÅAromatic
CBDS1Esing1.76Å1.81ÅAromatic
CBACBBsing1.51Å1.56Å
CBACAZsing1.53Å1.53Å
CBBCBFdoub1.32Å1.33ÅAromatic
CBCAsing1.53Å1.51Å
CBCASsing1.53Å1.55Å
S1ECBFsing1.75Å1.63ÅAromatic
CACsing1.51Å1.59Å
CANsing1.47Å1.41Å
OXTCdoub1.21Å1.25Å
CAZNARsing1.47Å1.51Å
CASNARsing1.47Å1.50Å
COsing1.34Å1.27Å
NARCAFsing1.47Å1.49Å
OAHCABsing1.43Å1.38Å
CAFCAAsing1.53Å1.46Å
CAACABsing1.55Å1.49Å
CAAOAEsing1.44Å1.47Å
CABCACsing1.54Å1.47Å
OAECADsing1.45Å1.41Å
CACOAIsing1.43Å1.35Å
CACCADsing1.54Å1.53Å
CADN9sing1.46Å1.47Å
N9C4sing1.37Å1.38ÅAromatic
N9C8sing1.36Å1.36ÅAromatic
N3C4doub1.33Å1.39ÅAromatic
N3C2sing1.32Å1.36ÅAromatic
C4C5sing1.40Å1.43ÅAromatic
C2N1doub1.32Å1.35ÅAromatic
C8N7doub1.30Å1.35ÅAromatic
C5N7sing1.35Å1.36ÅAromatic
C5C6doub1.40Å1.42ÅAromatic
N1C6sing1.33Å1.37ÅAromatic
C6N6sing1.38Å1.43Å
CBGH1sing1.08Å1.08Å
CBHH2sing1.08Å1.08Å
CBIH3sing1.08Å1.08Å
CBJH4sing1.08Å1.08Å
CBFH5sing1.08Å1.08Å
CBAH6sing1.09Å1.10Å
CBAH7sing1.09Å1.10Å
CAZH8sing1.09Å1.10Å
CAZH9sing1.09Å1.10Å
CASH11sing1.09Å1.10Å
CASH12sing1.09Å1.10Å
CBH13sing1.09Å1.10Å
CBH14sing1.09Å1.10Å
CAH15sing1.09Å1.10Å
OH16sing0.97Å0.95Å
NH17sing1.01Å1.00Å
NH18sing1.01Å1.00Å
CAFH20sing1.09Å1.10Å
CAFH21sing1.09Å1.10Å
CAAH22sing1.09Å1.10Å
CABH23sing1.09Å1.10Å
OAHH24sing0.97Å0.95Å
CACH25sing1.09Å1.10Å
OAIH26sing0.97Å0.95Å
CADH27sing1.09Å1.10Å
C8H28sing1.08Å1.08Å
C2H29sing1.08Å1.08Å
N6H30sing0.97Å1.00Å
N6H31sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBICBHCBG121.7°120.6°
CBHCBICBJ120.6°120.2°
CBICBHH2119.2°119.7°
CBHCBIH3119.7°119.9°
CBHCBGCBC118.8°120.5°
CBHCBGH1120.6°119.8°
CBGCBHH2119.1°119.7°
CBICBJCBD120.3°120.2°
CBJCBIH3119.7°119.9°
CBICBJH4119.8°119.9°
CBGCBCCBD121.3°118.8°
CBGCBCCBB128.2°129.4°
CBCCBGH1120.6°119.8°
CBJCBDCBC117.3°119.8°
CBJCBDS1E138.1°130.6°
CBDCBJH4119.9°119.9°
CBDCBCCBB110.5°111.8°
CBCCBDS1E104.5°109.7°
CBCCBBCBA119.0°122.5°
CBCCBBCBF116.1°114.9°
CBDS1ECBF95.2°92.2°
CBBCBACAZ121.1°109.5°
CBACBBCBF124.9°122.5°
CBBCBAH6106.5°109.4°
CBBCBAH7106.5°109.4°
CBACAZNAR116.1°109.5°
CAZCBAH6106.5°109.5°
CAZCBAH7106.5°109.5°
CBACAZH8107.8°109.5°
CBACAZH9107.8°109.5°
CBBCBFS1E113.7°111.4°
CBBCBFH5123.1°124.3°
CACBCAS118.9°109.5°
CBCAC112.7°109.5°
CBCAN112.2°109.5°
CACBH13107.1°109.5°
CACBH14107.1°109.4°
CBCAH15107.4°109.5°
CBCASNAR120.3°109.5°
CBCASH11106.7°109.5°
CBCASH12106.7°109.4°
CASCBH13107.1°109.5°
CASCBH14107.1°109.4°
S1ECBFH5123.1°124.2°
CCAN109.2°109.5°
CACOXT119.9°120.0°
CACO121.8°120.0°
CCAH15106.5°109.5°
NCAH15108.7°109.4°
CANH17109.5°111.0°
CANH18109.5°111.0°
OXTCO118.3°120.0°
CAZNARCAS108.5°111.0°
CAZNARCAF104.6°111.0°
NARCAZH8107.8°109.5°
NARCAZH9107.8°109.4°
CASNARCAF107.9°111.0°
NARCASH11106.7°109.5°
NARCASH12106.7°109.4°
COH16109.5°117.0°
NARCAFCAA119.5°109.5°
NARCAFH20106.9°109.5°
NARCAFH21106.9°109.5°
OAHCABCAA109.9°110.5°
OAHCABCAC108.5°110.5°
OAHCABH23111.6°110.5°
CABOAHH24109.5°114.0°
CAFCAACAB112.3°110.4°
CAFCAAOAE108.9°110.3°
CAACAFH20106.9°109.5°
CAACAFH21106.9°109.4°
CAFCAAH22109.7°110.3°
CABCAAOAE107.0°104.8°
CAACABCAC106.5°104.0°
CABCAAH22109.3°110.4°
CAACABH23109.9°110.5°
CAAOAECAD106.6°105.3°
OAECAAH22109.6°110.5°
CABCACOAI106.7°110.5°
CABCACCAD102.3°104.1°
CACCABH23110.2°110.5°
CABCACH25110.0°110.5°
OAECADCAC106.2°104.8°
OAECADN9110.6°110.4°
OAECADH27106.5°110.4°
OAICACCAD116.3°110.5°
OAICACH25111.8°110.5°
CACOAIH26109.5°114.0°
CACCADN9121.7°110.4°
CADCACH25109.1°110.7°
CACCADH27105.2°110.4°
CADN9C4124.3°126.3°
CADN9C8128.4°126.3°
N9CADH27105.7°110.4°
C4N9C8107.3°107.4°
N9C4N3134.0°134.9°
N9C4C5106.9°106.0°
N9C8N7110.5°110.0°
N9C8H28124.8°125.0°
C4N3C2119.9°120.7°
N3C4C5119.2°119.1°
N3C2N1122.7°122.5°
N3C2H29118.6°118.8°
C4C5N7107.0°107.2°
C4C5C6118.1°118.2°
C2N1C6119.8°121.2°
N1C2H29118.7°118.7°
C8N7C5108.3°109.4°
N7C8H28124.8°125.0°
N7C5C6134.8°134.7°
C5C6N1120.2°118.5°
C5C6N6118.7°120.8°
N1C6N6121.1°120.8°
C6N6H30109.5°120.0°
C6N6H31109.5°120.0°
H6CBAH7109.5°109.5°
H8CAZH9109.5°109.5°
H11CASH12109.5°109.5°
H13CBH14109.4°109.5°
H17NH18109.5°111.0°
H20CAFH21109.5°109.5°
H30N6H31109.4°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CBICBHCBGH2180.0°180.0°
CBHCBICBJH3180.0°180.0°
CBICBHCBGCBC0.5°0.0°
CBHCBICBJCBD0.2°0.0°
CBICBHCBGH1179.5°180.0°
CBHCBICBJH4179.8°180.0°
CBGCBHCBICBJ0.0°0.0°
CBHCBGCBCH1180.0°180.0°
CBHCBGCBCCBD0.8°0.0°
CBHCBGCBCCBB179.3°179.7°
CBGCBHCBIH3180.0°180.0°
CBICBJCBDH4180.0°180.0°
CBICBJCBDCBC0.1°0.0°
CBICBJCBDS1E179.7°179.7°
CBJCBICBHH2180.0°180.0°
CBGCBCCBDCBJ0.6°0.0°
CBGCBCCBDCBB179.9°179.7°
CBGCBCCBDS1E179.7°179.8°
CBGCBCCBBCBA0.1°0.3°
CBGCBCCBBCBF179.8°179.7°
CBCCBGCBHH2179.5°180.0°
CBJCBDCBCS1E179.7°179.8°
CBJCBDCBCCBB179.5°179.7°
CBJCBDS1ECBF179.4°179.7°
CBDCBJCBIH3179.8°180.0°
CBDCBCCBBCBA179.8°180.0°
CBDCBCCBBCBF0.1°0.0°
CBCCBDS1ECBF0.3°0.0°
CBDCBCCBGH1179.2°180.0°
CBCCBDCBJH4179.9°180.0°
CBBCBCCBDS1E0.3°0.0°
CBCCBBCBACBF179.6°180.0°
CBCCBBCBACAZ137.0°85.0°
CBCCBBCBFS1E0.1°0.0°
CBBCBCCBGH10.7°0.3°
CBCCBBCBFH5179.9°179.9°
CBCCBBCBAH615.4°155.0°
CBCCBBCBAH7101.3°35.0°
CBDS1ECBFCBB0.2°0.0°
S1ECBDCBJH40.3°0.3°
CBDS1ECBFH5179.8°179.9°
CBBCBACAZH6121.6°120.0°
CBBCBACAZH7121.6°120.0°
CBACBBCBFS1E179.6°180.0°
CBBCBACAZNAR130.3°180.0°
CBACBBCBFH50.4°0.1°
CBBCBAH6H7114.8°119.9°
CBBCBACAZH8108.8°60.0°
CBBCBACAZH99.3°60.0°
CAZCBACBBCBF43.4°95.0°
CBACAZNARH8121.0°120.0°
CBACAZNARH9121.0°120.0°
CBACAZNARCAS119.0°66.0°
CBACAZNARCAF126.1°170.0°
CAZCBAH6H7114.7°120.1°
CBACAZH8H9117.0°120.1°
CBBCBFS1EH5180.0°179.9°
CBFCBBCBAH6165.0°25.0°
CBFCBBCBAH778.3°145.0°
CACBCASH13121.4°120.0°
CACBCASH14121.3°119.9°
CBCACN125.3°120.0°
CBCACH15117.5°120.0°
CBCANH15118.6°119.9°
CBCACOXT120.4°99.3°
CACBCASNAR127.0°176.5°
CBCACO60.2°80.6°
CACBCASH11111.5°63.5°
CACBCASH125.5°56.5°
CACBH13H14115.7°120.0°
CBCANH17180.0°176.0°
CBCANH1860.0°60.0°
CASCBCAC80.9°174.4°
CASCBCAN42.8°65.6°
CBCASNARCAZ33.1°163.9°
CBCASNARH11121.5°120.1°
CBCASNARH12121.5°119.9°
CBCASNARCAF145.9°72.2°
CBCASH11H12115.1°120.0°
CASCBH13H14115.8°120.0°
CASCBCAH15162.1°54.3°
CCANH15115.8°120.0°
CACOXTO179.4°179.9°
CCACBH1340.4°54.3°
CCACBH14157.7°65.7°
CACOH16179.4°175.0°
CCANH1754.4°64.0°
CCANH1865.6°60.0°
NCACOXT114.3°20.7°
NCACO65.1°159.4°
NCACBH13164.1°174.3°
NCACBH1478.6°54.3°
CANH17H18120.0°124.0°
OXTCCAH152.9°140.6°
OXTCOH160.0°5.1°
CAZNARCASCAF112.8°124.0°
CAZNARCAFCAA114.0°76.2°
NARCAZCBAH68.6°60.0°
NARCAZCBAH7108.1°60.0°
NARCAZH8H9117.0°120.0°
CAZNARCASH11154.6°43.8°
CAZNARCASH1288.5°76.2°
CAZNARCAFH20124.6°163.8°
CAZNARCAFH217.4°43.7°
CASNARCAFCAA130.6°159.8°
CASNARCAZH82.0°53.9°
CASNARCAZH9120.1°173.9°
NARCASH11H12115.1°120.0°
NARCASCBH135.6°56.5°
NARCASCBH14111.7°63.6°
CASNARCAFH209.1°39.8°
CASNARCAFH21108.0°80.2°
OCCAH15177.7°39.5°
NARCAFCAAH20121.4°120.0°
NARCAFCAAH21121.4°120.0°
NARCAFCAACAB97.3°178.3°
NARCAFCAAOAE144.5°66.4°
CAFNARCAZH8113.0°70.0°
CAFNARCAZH95.1°50.0°
CAFNARCASH1192.6°167.8°
CAFNARCASH1224.3°47.8°
NARCAFH20H21115.4°120.0°
NARCAFCAAH2224.5°56.0°
OAHCABCAACAF132.9°98.6°
OAHCABCAACAC117.3°118.6°
OAHCABCAAH23123.2°122.7°
OAHCABCAAOAE107.7°142.7°
OAHCABCACH23122.5°122.7°
OAHCABCACOAI30.2°0.0°
OAHCABCACCAD92.4°118.6°
OAHCABCAAH2210.8°23.6°
OAHCABCACH25151.7°122.6°
CAFCAACABOAE119.4°118.8°
CAFCAACABH22122.0°122.2°
CAFCAAOAEH22120.0°122.2°
CAFCAACABCAC109.8°142.8°
CAFCAAOAECAD134.1°159.4°
CAACAFH20H21115.4°119.9°
CAFCAACABH239.6°24.1°
CABCAAOAEH22118.4°119.0°
CAACABCACH23119.2°118.7°
CABCAAOAECAD12.5°40.6°
CAACABCACOAI148.5°118.6°
CAACABCACCAD25.9°0.0°
CABCAACAFH20141.3°61.7°
CABCAACAFH2124.2°58.3°
CAACABOAHH24180.0°180.0°
CAACABCACH2590.0°118.8°
OAECAACABCAC9.6°24.0°
CAAOAECADCAC29.0°40.6°
CAAOAECADN9162.9°159.3°
OAECAACAFH2023.0°53.7°
OAECAACAFH2194.1°173.6°
OAECAACABH23129.1°94.7°
CAAOAECADH2782.7°78.3°
CABCACCADOAE34.4°24.0°
CABCACOAICAD113.4°114.6°
CABCACOAIH25120.3°122.6°
CABCACCADH25116.5°118.8°
CABCACCADN9162.0°142.8°
CACCABCAAH22128.2°95.0°
CACCABOAHH2463.9°65.4°
CABCACOAIH26180.0°61.5°
CABCACCADH2778.2°94.8°
OAECADCACOAI150.3°142.6°
OAECADCACN9127.5°118.8°
OAECADCACH27112.6°118.8°
OAECADN9H27114.8°122.3°
OAECADN9C481.0°156.0°
OAECADN9C898.1°24.3°
CADOAECAAH22105.9°78.4°
OAECADCACH2582.1°94.7°
OAICACCADH25127.6°122.6°
OAICACCADN982.2°98.6°
OAICACCABH2392.2°122.7°
OAICACCADH2737.7°23.8°
CACCADN9H27119.6°122.4°
CACCADN9C4153.5°88.7°
CACCADN9C827.5°91.0°
CADCACCABH23145.1°118.7°
CADCACOAIH2666.6°176.1°
CADN9C4C8179.2°179.7°
CADN9C4N31.7°0.0°
CADN9C4C5179.3°179.9°
CADN9C8N7179.5°180.0°
N9CADCACH2545.4°24.0°
CADN9C8H280.5°0.0°
N9C4N3C5178.9°179.9°
N9C4N3C2179.3°180.0°
C4N9C8N70.3°0.2°
N9C4C5N70.3°0.4°
N9C4C5C6179.1°179.8°
C4N9CADH2733.9°33.7°
C4N9C8H28179.7°179.8°
C8N9C4N3179.0°179.7°
C8N9C4C50.0°0.4°
N9C8N7H28180.0°180.0°
N9C8N7C50.5°0.0°
C8N9CADH27147.0°146.6°
C4N3C2N10.5°0.1°
N3C4C5N7178.9°179.7°
N3C4C5C60.1°0.1°
C4N3C2H29179.4°180.0°
C2N3C4C50.4°0.1°
N3C2N1H29180.0°179.9°
N3C2N1C60.1°0.5°
C4C5N7C80.5°0.2°
C4C5N7C6178.5°179.8°
C4C5C6N10.5°0.6°
C4C5C6N6179.3°179.8°
C2N1C6C50.4°0.8°
C2N1C6N6179.4°180.0°
C8N7C5C6179.0°179.9°
N7C5C6N1178.9°179.2°
N7C5C6N60.9°0.0°
C5N7C8H28179.5°180.0°
C5C6N1N6179.8°179.2°
C5C6N6H30179.8°0.0°
C5C6N6H3160.2°180.0°
C6N1C2H29179.8°179.6°
N1C6N6H300.0°179.2°
N1C6N6H31120.0°0.8°
C6N6H30H31120.0°180.0°
H1CBGCBHH20.5°0.0°
H2CBHCBIH30.0°0.1°
H3CBICBJH40.2°0.0°
H6CBACAZH8129.6°180.0°
H6CBACAZH9112.3°60.0°
H7CBACAZH812.9°60.0°
H7CBACAZH9131.0°180.0°
H11CASCBH13127.1°176.5°
H11CASCBH149.8°56.5°
H12CASCBH13115.9°63.5°
H12CASCBH14126.8°176.5°
H13CBCAH1576.6°65.7°
H14CBCAH1540.7°174.2°
H15CANH1761.4°56.1°
H15CANH18178.6°179.9°
H20CAFCAAH2296.9°176.0°
H21CAFCAAH22146.0°64.0°
H22CAACABH23112.4°146.3°
H23CABOAHH2457.8°57.4°
H23CABCACH2529.2°0.1°
H25CACOAIH2659.7°61.2°
H25CACCADH27165.3°146.4°

218853

PDB entries from 2024-04-24

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