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A0E

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBBCBCdoub1.38Å1.38ÅAromatic
CBBCBAsing1.38Å1.52ÅAromatic
CBCCBDsing1.38Å1.53ÅAromatic
CBACAZdoub1.38Å1.35ÅAromatic
CBDCAYdoub1.39Å1.34ÅAromatic
CAZCAYsing1.39Å1.56ÅAromatic
CAZCBEsing1.51Å1.56Å
N1C2doub1.31Å1.35ÅAromatic
N1C6sing1.33Å1.45ÅAromatic
CAYNAXsing1.40Å1.43Å
C2N3sing1.32Å1.48ÅAromatic
OBLCBIdoub1.21Å1.23Å
CBENBFsing1.47Å1.43Å
NBFCBGsing1.47Å1.44Å
C6NAXsing1.37Å1.34ÅAromatic
C6C5doub1.41Å1.33ÅAromatic
NAXNAWsing1.40Å1.28ÅAromatic
CBIOBJsing1.34Å1.43Å
CBICBHsing1.51Å1.54Å
N3C4doub1.33Å1.30ÅAromatic
OBJCBKsing1.45Å1.43Å
CBGCBHsing1.53Å1.53Å
C5C4sing1.41Å1.50ÅAromatic
C5CAVsing1.41Å1.63ÅAromatic
NAWCAVdoub1.30Å1.36ÅAromatic
C4NAMsing1.38Å1.44Å
NAMCANsing1.47Å1.47Å
NAMCALsing1.47Å1.42Å
CANCAOsing1.53Å1.54Å
CAONAJsing1.47Å1.43Å
CALCAKsing1.53Å1.54Å
NAJCAKsing1.47Å1.43Å
NAJCAFsing1.40Å1.46Å
CAECAFdoub1.39Å1.51ÅAromatic
CAECADsing1.38Å1.35ÅAromatic
FAGCADsing1.35Å1.34Å
CAFCAAsing1.39Å1.38ÅAromatic
CADCACdoub1.38Å1.53ÅAromatic
CAAOAHsing1.36Å1.41Å
CAACABdoub1.38Å1.51ÅAromatic
CACCABsing1.38Å1.35ÅAromatic
OAHCAIsing1.43Å1.44Å
C2H1sing1.08Å1.08Å
CABH2sing1.08Å1.08Å
CACH3sing1.08Å1.08Å
CAEH4sing1.08Å1.08Å
CAIH5sing1.09Å1.10Å
CAIH6sing1.09Å1.10Å
CAIH7sing1.09Å1.10Å
CAKH8sing1.09Å1.10Å
CAKH9sing1.09Å1.10Å
CALH10sing1.09Å1.10Å
CALH11sing1.09Å1.10Å
CANH12sing1.09Å1.10Å
CANH13sing1.09Å1.10Å
CAOH14sing1.09Å1.10Å
CAOH15sing1.09Å1.10Å
CAVH16sing1.08Å1.08Å
CBAH17sing1.08Å1.08Å
CBBH18sing1.08Å1.08Å
CBCH19sing1.08Å1.08Å
CBDH20sing1.08Å1.08Å
CBEH21sing1.09Å1.10Å
CBEH22sing1.09Å1.10Å
CBGH23sing1.09Å1.10Å
CBGH24sing1.09Å1.10Å
CBHH25sing1.09Å1.10Å
CBHH26sing1.09Å1.10Å
CBKH27sing1.09Å1.10Å
CBKH28sing1.09Å1.10Å
CBKH29sing1.09Å1.10Å
NBFH30sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBCCBBCBA120.0°120.2°
CBBCBCCBD120.1°120.0°
CBCCBBH18120.0°119.9°
CBBCBCH19119.9°119.9°
CBBCBACAZ119.9°120.0°
CBBCBAH17120.0°120.0°
CBACBBH18120.0°119.9°
CBCCBDCAY120.0°120.0°
CBDCBCH19119.9°120.0°
CBCCBDH20120.0°120.1°
CBACAZCAY120.0°119.9°
CBACAZCBE120.0°120.0°
CAZCBAH17120.0°120.0°
CBDCAYCAZ120.0°119.9°
CBDCAYNAX119.9°120.1°
CAYCBDH20120.0°120.0°
CAYCAZCBE120.0°120.1°
CAZCAYNAX120.1°120.0°
CAZCBENBF109.5°109.5°
CAZCBEH21109.5°109.5°
CAZCBEH22109.4°109.4°
C2N1C6119.9°120.7°
N1C2N3120.1°122.7°
N1C2H1119.9°118.6°
N1C6NAX136.4°134.6°
N1C6C5120.0°118.9°
CAYNAXC6118.4°125.9°
CAYNAXNAW118.3°125.9°
C2N3C4120.1°121.2°
N3C2H1120.0°118.7°
OBLCBIOBJ120.0°120.0°
OBLCBICBH120.0°120.0°
CBENBFCBG109.5°111.0°
NBFCBEH21109.4°109.5°
NBFCBEH22109.5°109.5°
CBENBFH30109.5°111.0°
NBFCBGCBH109.5°109.4°
NBFCBGH23109.5°109.5°
NBFCBGH24109.5°109.4°
CBGNBFH30109.4°111.0°
NAXC6C5103.6°106.5°
C6NAXNAW123.3°108.2°
C6C5C4120.2°118.2°
C6C5CAV104.8°107.0°
NAXNAWCAV103.8°109.7°
OBJCBICBH119.9°120.0°
CBIOBJCBK113.9°117.0°
CBICBHCBG109.5°109.5°
CBICBHH25109.4°109.5°
CBICBHH26109.5°109.4°
N3C4C5119.9°118.4°
N3C4NAM120.1°120.8°
OBJCBKH27109.5°109.5°
OBJCBKH28109.5°109.5°
OBJCBKH29109.5°109.5°
CBHCBGH23109.5°109.5°
CBHCBGH24109.5°109.5°
CBGCBHH25109.5°109.5°
CBGCBHH26109.5°109.5°
C4C5CAV135.0°134.7°
C5C4NAM120.1°120.8°
C5CAVNAW104.6°108.5°
C5CAVH16127.7°125.7°
NAWCAVH16127.7°125.8°
C4NAMCAN120.1°111.0°
C4NAMCAL120.0°111.0°
CANNAMCAL119.9°110.9°
NAMCANCAO112.0°109.3°
NAMCANH12108.9°109.5°
NAMCANH13108.8°109.5°
NAMCALCAK113.0°109.4°
NAMCALH10108.6°109.5°
NAMCALH11108.6°109.5°
CANCAONAJ114.6°109.4°
CAOCANH12108.8°109.5°
CAOCANH13108.8°109.5°
CANCAOH14108.2°109.4°
CANCAOH15108.2°109.5°
CAONAJCAK120.0°110.8°
CAONAJCAF120.0°111.0°
NAJCAOH14108.2°109.5°
NAJCAOH15108.2°109.5°
CALCAKNAJ114.7°109.4°
CALCAKH8108.1°109.5°
CALCAKH9108.1°109.5°
CAKCALH10108.6°109.5°
CAKCALH11108.6°109.5°
CAKNAJCAF120.0°111.0°
NAJCAKH8108.2°109.5°
NAJCAKH9108.2°109.5°
NAJCAFCAE120.0°120.1°
NAJCAFCAA120.0°120.1°
CAFCAECAD119.9°120.0°
CAECAFCAA120.0°119.8°
CAFCAEH4120.0°120.0°
CAECADFAG120.0°119.9°
CAECADCAC120.1°120.1°
CADCAEH4120.1°120.0°
FAGCADCAC120.0°119.9°
CAFCAAOAH120.0°120.0°
CAFCAACAB120.0°119.9°
CADCACCAB120.0°120.1°
CADCACH3120.0°119.9°
OAHCAACAB120.0°120.0°
CAAOAHCAI113.9°117.0°
CAACABCAC120.0°120.0°
CAACABH2120.0°120.0°
CACCABH2120.0°120.0°
CABCACH3120.0°119.9°
OAHCAIH5109.5°109.5°
OAHCAIH6109.5°109.5°
OAHCAIH7109.4°109.5°
H5CAIH6109.5°109.4°
H5CAIH7109.5°109.4°
H6CAIH7109.5°109.5°
H8CAKH9109.4°109.5°
H10CALH11109.4°109.5°
H12CANH13109.5°109.6°
H14CAOH15109.5°109.5°
H21CBEH22109.5°109.5°
H23CBGH24109.5°109.5°
H25CBHH26109.5°109.4°
H27CBKH28109.4°109.5°
H27CBKH29109.5°109.5°
H28CBKH29109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CBCCBBCBAH18180.0°179.8°
CBBCBCCBDH19180.0°179.8°
CBCCBBCBACAZ0.0°0.2°
CBBCBCCBDCAY0.1°0.5°
CBCCBBCBAH17180.0°180.0°
CBBCBCCBDH20179.9°180.0°
CBACBBCBCCBD0.1°0.2°
CBBCBACAZH17180.0°179.8°
CBBCBACAZCAY0.0°0.1°
CBBCBACAZCBE180.0°179.9°
CBACBBCBCH19179.9°180.0°
CBCCBDCAYH20180.0°179.4°
CBCCBDCAYCAZ0.0°0.6°
CBCCBDCAYNAX180.0°179.7°
CBDCBCCBBH18179.9°180.0°
CBACAZCAYCBD0.0°0.2°
CBACAZCAYCBE179.9°179.9°
CBACAZCAYNAX180.0°179.9°
CBACAZCBENBF47.8°100.0°
CAZCBACBBH18180.0°179.7°
CBACAZCBEH2172.2°20.0°
CBACAZCBEH22167.8°140.0°
CBDCAYCAZNAX180.0°179.7°
CBDCAYCAZCBE179.9°179.7°
CBDCAYNAXC662.7°0.3°
CBDCAYNAXNAW117.4°179.7°
CAYCBDCBCH19179.9°179.7°
CAYCAZCBENBF132.1°80.0°
CAZCAYNAXC6117.4°180.0°
CAZCAYNAXNAW62.6°0.0°
CAYCAZCBAH17180.0°180.0°
CAZCAYCBDH20180.0°180.0°
CAYCAZCBEH21107.9°160.0°
CAYCAZCBEH2212.1°40.0°
CBECAZCAYNAX0.0°0.0°
CAZCBENBFH21120.0°120.0°
CAZCBENBFH22120.0°120.0°
CAZCBENBFCBG106.0°180.0°
CBECAZCBAH170.0°0.1°
CAZCBEH21H22120.0°120.0°
CAZCBENBFH3014.0°56.0°
N1C2N3H1180.0°179.6°
C2N1C6NAX180.0°180.0°
C2N1C6C50.0°0.0°
N1C2N3C40.0°0.7°
N1C6NAXCAY0.0°0.0°
C6N1C2N30.0°0.4°
N1C6NAXC5180.0°180.0°
N1C6NAXNAW180.0°180.0°
N1C6C5C40.0°0.1°
N1C6C5CAV180.0°180.0°
C6N1C2H1180.0°180.0°
CAYNAXC6NAW180.0°180.0°
CAYNAXC6C5180.0°180.0°
CAYNAXNAWCAV180.0°180.0°
NAXCAYCBDH200.0°0.3°
C2N3C4C50.0°0.6°
C2N3C4NAM180.0°179.6°
OBLCBIOBJCBH176.1°180.0°
OBLCBIOBJCBK93.5°0.0°
OBLCBICBHCBG16.3°0.0°
OBLCBICBHH25136.3°120.0°
OBLCBICBHH26103.7°120.0°
CBENBFCBGH30120.0°123.9°
CBENBFCBGCBH150.5°180.0°
NBFCBEH21H22120.0°120.0°
CBENBFCBGH2330.5°60.0°
CBENBFCBGH2489.5°60.0°
NBFCBGCBHCBI49.3°180.0°
NBFCBGCBHH23120.0°120.0°
NBFCBGCBHH24120.0°119.9°
CBGNBFCBEH21134.0°60.0°
CBGNBFCBEH2214.0°60.0°
NBFCBGH23H24120.0°120.0°
NBFCBGCBHH25169.2°60.0°
NBFCBGCBHH2670.7°60.0°
NAXC6C5C4180.0°180.0°
NAXC6C5CAV0.0°0.0°
C6NAXNAWCAV0.0°0.0°
C5C6NAXNAW0.0°0.0°
C6C5C4N30.0°0.3°
C6C5C4CAV180.0°179.9°
C6C5CAVNAW0.0°0.0°
C6C5C4NAM180.0°180.0°
C6C5CAVH16180.0°179.9°
NAXNAWCAVC50.0°0.0°
NAXNAWCAVH16180.0°179.9°
OBJCBICBHCBG167.6°180.0°
OBJCBICBHH2547.6°59.9°
OBJCBICBHH2672.4°60.0°
CBIOBJCBKH27180.0°180.0°
CBIOBJCBKH2860.0°60.0°
CBIOBJCBKH2960.0°60.0°
CBHCBIOBJCBK90.4°180.0°
CBICBHCBGH25120.0°120.0°
CBICBHCBGH26120.0°120.0°
CBICBHCBGH23169.3°60.0°
CBICBHCBGH2470.7°60.0°
CBICBHH25H26120.0°119.9°
N3C4C5NAM180.0°179.7°
N3C4C5CAV180.0°179.7°
N3C4NAMCAN14.1°0.3°
N3C4NAMCAL165.9°124.1°
C4N3C2H1180.0°179.7°
OBJCBKH27H28120.0°120.0°
OBJCBKH27H29120.0°120.0°
OBJCBKH28H29120.0°120.0°
CBHCBGH23H24120.0°120.0°
CBGCBHH25H26120.0°120.0°
CBHCBGNBFH3089.5°56.1°
C4C5CAVNAW180.0°180.0°
C5C4NAMCAN165.9°180.0°
C5C4NAMCAL14.1°56.2°
C4C5CAVH160.1°0.1°
C5CAVNAWH16180.0°179.9°
CAVC5C4NAM0.0°0.1°
C4NAMCANCAL180.0°123.9°
C4NAMCANCAO131.7°176.8°
C4NAMCALCAK147.5°176.8°
C4NAMCALH1092.0°63.2°
C4NAMCALH1126.9°56.8°
C4NAMCANH1211.3°56.9°
C4NAMCANH13107.9°63.3°
NAMCANCAOH12120.4°120.0°
NAMCANCAOH13120.4°119.9°
NAMCANCAONAJ16.7°58.4°
CANNAMCALCAK32.6°59.3°
CANNAMCALH1088.0°60.6°
CANNAMCALH11153.1°179.3°
NAMCANH12H13118.9°120.1°
NAMCANCAOH14104.1°178.4°
NAMCANCAOH15137.4°61.6°
CALNAMCANCAO48.3°59.3°
NAMCALCAKH10120.5°120.0°
NAMCALCAKH11120.5°120.0°
NAMCALCAKNAJ13.4°58.4°
NAMCALCAKH8107.4°61.6°
NAMCALCAKH9134.2°178.4°
NAMCALH10H11118.3°120.1°
CALNAMCANH12168.7°179.2°
CALNAMCANH1372.0°60.6°
CANCAONAJH14120.8°119.9°
CANCAONAJH15120.8°120.0°
CANCAONAJCAK28.1°59.4°
CANCAONAJCAF151.8°176.8°
CAOCANH12H13118.9°120.0°
CANCAOH14H15117.7°120.0°
CAONAJCAKCAL44.6°59.4°
CAONAJCAKCAF180.0°123.8°
CAONAJCAFCAE128.8°59.9°
CAONAJCAFCAA51.3°120.5°
CAONAJCAKH876.2°60.6°
CAONAJCAKH9165.4°179.3°
NAJCAOCANH12137.1°178.4°
NAJCAOCANH13103.7°61.5°
NAJCAOH14H15117.7°120.1°
CALCAKNAJH8120.8°120.0°
CALCAKNAJH9120.8°119.9°
CALCAKNAJCAF135.3°176.8°
CALCAKH8H9117.6°120.0°
CAKCALH10H11118.4°120.1°
CAKNAJCAFCAE51.2°63.8°
CAKNAJCAFCAA128.7°115.8°
NAJCAKH8H9117.6°120.1°
NAJCAKCALH10133.9°61.5°
NAJCAKCALH11107.1°178.4°
CAKNAJCAOH14148.9°179.3°
CAKNAJCAOH1592.6°60.6°
NAJCAFCAECAA179.9°179.6°
NAJCAFCAECAD180.0°180.0°
NAJCAFCAAOAH0.1°0.2°
NAJCAFCAACAB180.0°180.0°
NAJCAFCAEH40.0°0.5°
CAFNAJCAKH8103.9°63.2°
CAFNAJCAKH914.6°56.9°
CAFNAJCAOH1431.1°56.9°
CAFNAJCAOH1587.4°63.2°
CAFCAECADH4180.0°179.5°
CAFCAECADFAG179.9°179.8°
CAFCAECADCAC0.0°0.3°
CAECAFCAAOAH180.0°179.8°
CAECAFCAACAB0.1°0.4°
CAECADFAGCAC180.0°180.0°
CADCAECAFCAA0.1°0.5°
CAECADCACCAB0.0°0.0°
CAECADCACH3180.0°179.9°
FAGCADCACCAB180.0°180.0°
FAGCADCACH30.0°0.1°
FAGCADCAEH40.1°0.3°
CAFCAAOAHCAB179.9°179.8°
CAFCAACABCAC0.1°0.2°
CAFCAAOAHCAI140.0°179.8°
CAFCAACABH2179.9°179.8°
CAACAFCAEH4179.9°180.0°
CADCACCABCAA0.0°0.0°
CADCACCABH3180.0°179.9°
CADCACCABH2180.0°180.0°
CACCADCAEH4180.0°179.8°
OAHCAACABCAC180.0°180.0°
OAHCAACABH20.0°0.0°
CAAOAHCAIH5180.0°180.0°
CAAOAHCAIH660.0°60.1°
CAAOAHCAIH760.0°60.0°
CAACABCACH2180.0°180.0°
CABCAAOAHCAI40.1°0.0°
CAACABCACH3180.0°179.9°
OAHCAIH5H6120.0°120.0°
OAHCAIH5H7120.0°120.0°
OAHCAIH6H7120.0°120.1°
H2CABCACH30.0°0.1°
H5CAIH6H7120.0°120.0°
H8CAKCALH1013.1°178.5°
H8CAKCALH11132.1°58.4°
H9CAKCALH10105.3°58.4°
H9CAKCALH1113.6°61.6°
H12CANCAOH1416.3°61.7°
H12CANCAOH15102.2°58.4°
H13CANCAOH14135.6°58.5°
H13CANCAOH1517.1°178.5°
H17CBACBBH180.0°0.1°
H18CBBCBCH190.1°0.2°
H19CBCCBDH200.1°0.2°
H21CBENBFH30106.0°176.0°
H22CBENBFH30134.0°63.9°
H23CBGCBHH2570.8°60.0°
H23CBGCBHH2649.3°NaN°
H23CBGNBFH30150.5°64.0°
H24CBGCBHH2549.2°179.9°
H24CBGCBHH26169.3°59.9°
H24CBGNBFH3030.5°176.0°
H27CBKH28H29120.0°120.0°

222926

PDB entries from 2024-07-24

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