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8E8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OACCAWdoub1.21Å1.25Å
CADCAWsing1.51Å1.54Å
CADCAAsing1.53Å1.60Å
CAWNBGsing1.35Å1.37Å
C2N3doub1.31Å1.30ÅAromatic
C2N1sing1.32Å1.31ÅAromatic
N3C4sing1.33Å1.36ÅAromatic
N1C6doub1.33Å1.37ÅAromatic
NBGCARsing1.47Å1.46Å
NBGCAQsing1.47Å1.43Å
CARCBEsing1.53Å1.51Å
C4NBFsing1.36Å1.31ÅAromatic
C4C5doub1.41Å1.44ÅAromatic
CBENBFsing1.46Å1.48Å
CBECAPsing1.53Å1.55Å
C6C5sing1.40Å1.41ÅAromatic
C6NABsing1.38Å1.31Å
CAQCAOsing1.53Å1.58Å
CAOCAPsing1.53Å1.54Å
NBFNAUsing1.40Å1.39ÅAromatic
C5CBBsing1.46Å1.50ÅAromatic
NAUCBBdoub1.31Å1.32ÅAromatic
CBBCBAsing1.48Å1.47Å
CBACAMdoub1.39Å1.41ÅAromatic
CBACANsing1.39Å1.38ÅAromatic
CAMCAKsing1.38Å1.37ÅAromatic
CANCALdoub1.38Å1.37ÅAromatic
CAKCAZdoub1.39Å1.40ÅAromatic
CALCAZsing1.39Å1.43ÅAromatic
CAZOAVsing1.36Å1.37Å
CAICAFdoub1.38Å1.35ÅAromatic
CAICAYsing1.39Å1.40ÅAromatic
OAVCAYsing1.36Å1.37Å
CAFCAEsing1.38Å1.39ÅAromatic
CAYCAJdoub1.39Å1.35ÅAromatic
CAECAGdoub1.38Å1.37ÅAromatic
CAJCAGsing1.38Å1.40ÅAromatic
C2H1sing1.08Å1.08Å
CAAH2sing1.09Å1.10Å
CAAH3sing1.09Å1.10Å
CAAH4sing1.09Å1.10Å
NABH5sing0.97Å1.00Å
NABH6sing0.97Å1.00Å
CADH7sing1.09Å1.10Å
CADH8sing1.09Å1.10Å
CAEH9sing1.08Å1.08Å
CAFH10sing1.08Å1.08Å
CAGH11sing1.08Å1.08Å
CAIH12sing1.08Å1.08Å
CAJH13sing1.08Å1.08Å
CAKH14sing1.08Å1.08Å
CALH15sing1.08Å1.08Å
CAMH16sing1.08Å1.08Å
CANH17sing1.08Å1.08Å
CAOH18sing1.09Å1.10Å
CAOH19sing1.09Å1.10Å
CAPH20sing1.09Å1.10Å
CAPH21sing1.09Å1.10Å
CAQH22sing1.09Å1.10Å
CAQH23sing1.09Å1.10Å
CARH24sing1.09Å1.10Å
CARH25sing1.09Å1.10Å
CBEH26sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OACCAWCAD116.4°120.0°
OACCAWNBG122.3°120.0°
CAWCADCAA107.4°109.5°
CADCAWNBG121.1°120.0°
CAWCADH7110.0°109.5°
CAWCADH8110.0°109.5°
CADCAAH2109.5°109.4°
CADCAAH3109.5°109.4°
CADCAAH4109.5°109.5°
CAACADH7110.0°109.5°
CAACADH8110.0°109.5°
CAWNBGCAR117.9°120.6°
CAWNBGCAQ127.5°120.6°
N3C2N1131.1°122.6°
C2N3C4113.4°120.7°
N3C2H1114.5°118.7°
C2N1C6119.1°121.1°
N1C2H1114.5°118.7°
N3C4NBF132.8°134.5°
N3C4C5121.1°118.6°
N1C6C5115.5°118.4°
N1C6NAB120.2°120.8°
CARNBGCAQ114.3°118.8°
NBGCARCBE110.1°108.8°
NBGCARH24109.3°109.6°
NBGCARH25109.3°109.7°
NBGCAQCAO101.8°108.8°
NBGCAQH22111.3°109.6°
NBGCAQH23111.3°109.8°
CARCBENBF103.2°109.5°
CARCBECAP114.0°109.3°
CBECARH24109.3°109.6°
CBECARH25109.3°109.5°
CARCBEH26107.0°109.5°
NBFC4C5106.1°106.9°
C4NBFCBE125.5°125.3°
C4NBFNAU114.0°109.4°
C4C5C6119.7°118.6°
C4C5CBB104.5°106.4°
NBFCBECAP118.1°109.5°
CBENBFNAU120.5°125.3°
NBFCBEH26107.4°109.5°
CBECAPCAO114.0°109.6°
CBECAPH20108.3°109.4°
CBECAPH21108.3°109.4°
CAPCBEH26106.5°109.5°
C5C6NAB124.3°120.8°
C6C5CBB135.6°135.0°
C6NABH5109.5°120.0°
C6NABH6109.4°120.0°
CAQCAOCAP108.8°109.3°
CAQCAOH18109.6°109.5°
CAQCAOH19109.6°109.5°
CAOCAQH22111.3°109.6°
CAOCAQH23111.4°109.6°
CAPCAOH18109.6°109.5°
CAPCAOH19109.6°109.5°
CAOCAPH20108.3°109.5°
CAOCAPH21108.3°109.5°
NBFNAUCBB107.8°109.9°
C5CBBNAU107.6°107.4°
C5CBBCBA128.5°126.3°
NAUCBBCBA123.9°126.3°
CBBCBACAM118.2°120.1°
CBBCBACAN119.4°120.1°
CAMCBACAN121.9°119.9°
CBACAMCAK119.8°119.9°
CBACAMH16120.1°120.1°
CBACANCAL118.4°120.0°
CBACANH17120.8°120.0°
CAMCAKCAZ118.9°120.1°
CAMCAKH14120.5°119.9°
CAKCAMH16120.1°120.0°
CANCALCAZ120.3°120.1°
CANCALH15119.9°120.0°
CALCANH17120.8°120.0°
CAKCAZCAL120.3°120.1°
CAKCAZOAV117.4°119.9°
CAZCAKH14120.5°120.0°
CALCAZOAV122.2°119.9°
CAZCALH15119.9°119.9°
CAZOAVCAY121.3°118.0°
CAFCAICAY118.5°119.9°
CAICAFCAE120.7°120.1°
CAICAFH10119.7°119.9°
CAFCAIH12120.7°120.1°
CAICAYOAV122.3°120.1°
CAICAYCAJ121.6°119.9°
CAYCAIH12120.8°120.0°
OAVCAYCAJ115.6°120.0°
CAFCAECAG120.5°120.1°
CAFCAEH9119.7°119.9°
CAECAFH10119.6°120.0°
CAYCAJCAG119.7°119.9°
CAYCAJH13120.2°120.1°
CAECAGCAJ118.4°120.0°
CAGCAEH9119.7°119.9°
CAECAGH11120.8°120.0°
CAJCAGH11120.8°120.0°
CAGCAJH13120.1°120.0°
H2CAAH3109.5°109.5°
H2CAAH4109.5°109.5°
H3CAAH4109.4°109.5°
H5NABH6109.5°120.0°
H7CADH8109.4°109.5°
H18CAOH19109.5°109.5°
H20CAPH21109.4°109.5°
H22CAQH23109.5°109.6°
H24CARH25109.5°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OACCAWCADNBG175.7°180.0°
OACCAWCADCAA101.1°0.0°
OACCAWNBGCAR0.8°0.0°
OACCAWNBGCAQ173.3°180.0°
OACCAWCADH7139.2°120.0°
OACCAWCADH818.6°120.0°
CAWCADCAAH7119.7°120.0°
CAWCADCAAH8119.7°120.0°
CADCAWNBGCAR174.7°180.0°
CADCAWNBGCAQ11.2°0.0°
CAWCADCAAH2180.0°60.0°
CAWCADCAAH360.0°60.0°
CAWCADCAAH460.0°180.0°
CAWCADH7H8120.9°120.0°
CAACADCAWNBG74.6°180.0°
CADCAAH2H3120.0°119.9°
CADCAAH2H4120.0°120.0°
CADCAAH3H4120.0°120.0°
CAACADH7H8121.0°120.0°
CAWNBGCARCAQ174.9°179.9°
CAWNBGCARCBE111.6°126.4°
CAWNBGCAQCAO100.1°126.5°
NBGCAWCADH745.1°60.0°
NBGCAWCADH8165.7°60.0°
CAWNBGCAQH2218.6°113.8°
CAWNBGCAQH23141.1°6.6°
CAWNBGCARH24128.3°6.6°
CAWNBGCARH258.5°113.7°
N3C2N1H1180.0°179.9°
N3C2N1C60.3°0.1°
C2N3C4NBF179.4°179.9°
C2N3C4C51.5°0.0°
N1C2N3C40.4°0.0°
C2N1C6C52.8°0.0°
C2N1C6NAB177.0°179.9°
N3C4NBFC5179.2°179.9°
N3C4NBFCBE0.9°0.1°
N3C4C5C64.1°0.0°
N3C4NBFNAU179.6°179.9°
N3C4C5CBB179.8°179.9°
C4N3C2H1179.6°179.9°
N1C6C5C44.6°0.0°
N1C6C5NAB179.8°180.0°
N1C6C5CBB178.5°179.9°
C6N1C2H1179.7°180.0°
N1C6NABH50.0°11.8°
N1C6NABH6120.0°168.2°
NBGCARCBEH24120.1°119.8°
NBGCARCBEH25120.1°119.9°
NBGCARCBENBF169.3°174.6°
NBGCARCBECAP39.9°54.6°
CARNBGCAQCAO74.2°53.6°
CARNBGCAQH22167.1°66.1°
CARNBGCAQH2344.6°173.5°
NBGCARH24H25119.7°120.5°
NBGCARCBEH2677.6°65.3°
CAQNBGCARCBE63.3°53.6°
NBGCAQCAOH22118.7°119.8°
NBGCAQCAOH23118.8°120.0°
NBGCAQCAOCAP64.0°54.6°
NBGCAQCAOH1855.9°174.6°
NBGCAQCAOH19176.1°65.4°
NBGCAQH22H23123.5°120.5°
CAQNBGCARH2456.8°173.4°
CAQNBGCARH25176.6°66.2°
CARCBENBFC488.6°120.0°
CARCBENBFCAP126.9°119.8°
CARCBENBFH26112.9°120.1°
CARCBECAPH26117.8°119.9°
CARCBECAPCAO37.3°61.3°
CARCBENBFNAU92.7°60.0°
CARCBECAPH2083.4°178.6°
CARCBECAPH21158.0°58.7°
CBECARH24H25119.7°120.2°
C4NBFCBENAU178.7°179.9°
C4NBFCBECAP144.6°120.1°
NBFC4C5C6176.6°179.9°
NBFC4C5CBB0.9°0.0°
C4NBFNAUCBB0.3°0.0°
C4NBFCBEH2624.3°0.0°
C5C4NBFCBE178.3°180.0°
C4C5C6CBB173.9°179.9°
C4C5C6NAB175.2°180.0°
C5C4NBFNAU0.5°0.0°
C4C5CBBNAU1.2°0.0°
C4C5CBBCBA179.8°180.0°
NBFCBECAPH26120.7°120.1°
NBFCBECAPCAO158.8°178.7°
CBENBFNAUCBB179.2°180.0°
NBFCBECAPH2038.1°58.6°
NBFCBECAPH2180.5°61.3°
NBFCBECARH2449.2°65.6°
NBFCBECARH2570.6°54.6°
CBECAPCAOCAQ49.3°61.4°
CBECAPCAOH20120.7°120.0°
CBECAPCAOH21120.7°120.0°
CAPCBENBFNAU34.1°59.8°
CBECAPCAOH1870.6°178.7°
CBECAPCAOH19169.2°58.6°
CBECAPH20H21117.9°119.9°
CAPCBECARH2480.1°174.4°
CAPCBECARH25160.0°65.3°
C6C5CBBNAU175.7°180.0°
C6C5CBBCBA5.6°0.0°
C5C6NABH5179.7°168.2°
C5C6NABH660.2°11.7°
NABC6C5CBB1.3°0.0°
C6NABH5H6120.0°180.0°
CAQCAOCAPH18119.9°119.9°
CAQCAOCAPH19119.9°120.0°
CAQCAOH18H19120.3°120.0°
CAQCAOCAPH2071.4°178.7°
CAQCAOCAPH21170.0°58.6°
CAOCAQH22H23123.6°120.2°
CAPCAOH18H19120.3°120.1°
CAOCAPH20H21117.9°120.0°
CAPCAOCAQH22177.3°65.1°
CAPCAOCAQH2354.8°174.6°
CAOCAPCBEH2680.5°58.6°
NBFNAUCBBC50.9°0.0°
NBFNAUCBBCBA179.7°180.0°
NAUNBFCBEH26154.4°179.9°
C5CBBNAUCBA178.8°180.0°
C5CBBCBACAM58.9°43.7°
C5CBBCBACAN129.0°136.3°
NAUCBBCBACAM119.6°136.3°
NAUCBBCBACAN52.5°43.7°
CBBCBACAMCAN171.9°180.0°
CBBCBACAMCAK176.4°180.0°
CBBCBACANCAL179.7°179.7°
CBBCBACAMH163.6°0.0°
CBBCBACANH170.3°0.2°
CBACAMCAKH16180.0°180.0°
CAMCBACANCAL7.9°0.2°
CBACAMCAKCAZ1.2°0.0°
CBACAMCAKH14178.8°179.7°
CAMCBACANH17172.1°179.8°
CANCBACAMCAK4.5°0.0°
CBACANCALH17180.0°179.6°
CBACANCALCAZ5.6°0.5°
CBACANCALH15174.5°180.0°
CANCBACAMH16175.5°179.9°
CAMCAKCAZH14180.0°179.7°
CAMCAKCAZCAL3.3°0.3°
CAMCAKCAZOAV179.5°179.7°
CANCALCAZCAK0.1°0.5°
CANCALCAZH15180.0°179.5°
CANCALCAZOAV175.9°179.5°
CAKCAZCALOAV176.0°180.0°
CAKCAZOAVCAY140.8°77.4°
CAKCAZCALH15180.0°180.0°
CAZCAKCAMH16178.8°180.0°
CALCAZOAVCAY43.1°102.6°
CALCAZCAKH14176.6°180.0°
CAZCALCANH17174.4°179.9°
CAZOAVCAYCAI44.6°173.5°
CAZOAVCAYCAJ143.2°6.2°
OAVCAZCAKH140.5°0.0°
OAVCAZCALH154.0°0.0°
CAFCAICAYH12180.0°180.0°
CAFCAICAYOAV176.4°180.0°
CAICAFCAEH10180.0°179.9°
CAFCAICAYCAJ4.6°0.3°
CAICAFCAECAG2.6°0.1°
CAICAFCAEH9177.4°179.8°
CAICAYOAVCAJ172.2°179.7°
CAYCAICAFCAE1.2°0.1°
CAICAYCAJCAG8.8°0.6°
CAYCAICAFH10178.8°180.0°
CAICAYCAJH13171.2°180.0°
OAVCAYCAJCAG178.9°179.7°
OAVCAYCAIH123.6°0.0°
OAVCAYCAJH131.1°0.3°
CAFCAECAGH9180.0°179.7°
CAFCAECAGCAJ1.5°0.4°
CAFCAECAGH11178.5°179.8°
CAECAFCAIH12178.8°180.0°
CAYCAJCAGCAE7.1°0.6°
CAYCAJCAGH13180.0°179.4°
CAYCAJCAGH11172.9°179.5°
CAJCAYCAIH12175.4°179.7°
CAECAGCAJH11180.0°179.9°
CAGCAECAFH10177.4°180.0°
CAECAGCAJH13172.9°180.0°
CAJCAGCAEH9178.5°179.9°
H2CAAH3H4120.0°120.1°
H2CAACADH760.3°60.0°
H2CAACADH860.3°180.0°
H3CAACADH7179.6°180.0°
H3CAACADH859.7°60.0°
H4CAACADH759.7°60.0°
H4CAACADH8179.7°60.0°
H9CAECAFH102.6°0.3°
H9CAECAGH111.5°0.1°
H10CAFCAIH121.2°0.0°
H11CAGCAJH137.2°0.1°
H14CAKCAMH161.2°0.3°
H15CALCANH175.5°0.5°
H18CAOCAPH20168.8°58.7°
H18CAOCAPH2150.1°61.3°
H18CAOCAQH2262.9°54.8°
H18CAOCAQH23174.6°65.4°
H19CAOCAPH2048.5°61.4°
H19CAOCAPH2170.1°178.6°
H19CAOCAQH2257.4°174.9°
H19CAOCAQH2365.1°54.6°
H20CAPCBEH26158.8°61.5°
H21CAPCBEH2640.2°178.6°
H24CARCBEH26162.4°54.5°
H25CARCBEH2642.5°174.7°

222415

PDB entries from 2024-07-10

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