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PRD_900066

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C4C5sing1.53Å1.55Å
C4O4sing1.43Å1.44Å
C4C3sing1.53Å1.53Å
C5O5sing1.43Å1.46Å
C5C6sing1.53Å1.54Å
C6O6sing1.43Å1.45Å
C3C2sing1.53Å1.54Å
C3O3sing1.43Å1.44Å
OBQCBPsing1.43Å1.43Å
CBPCBHsing1.53Å1.54Å
CBHOBIsing1.43Å1.47Å
CBHCBGsing1.53Å1.55Å
OBICBJsing1.43Å1.47Å
CBJOBMsing1.43Å1.44Å
CBJCBKsing1.53Å1.54Å
CBKOBNsing1.43Å1.44Å
CBKCBLsing1.53Å1.53Å
CBLOBOsing1.43Å1.44Å
CBLCBGsing1.53Å1.54Å
CBGO1sing1.43Å1.45Å
O1C1sing1.43Å1.45Å
C1O5sing1.43Å1.46Å
C1C2sing1.53Å1.54Å
C2O2sing1.43Å1.44Å
O6CAAsing1.43Å1.46Å
CAACAJsing1.51Å1.59Å
CAAOABsing1.43Å1.48Å
CAACAFsing1.53Å1.55Å
CAJOATdoub1.21Å1.26Å
CAJOASsing1.34Å1.25Å
OABCACsing1.43Å1.46Å
CAFCAEsing1.53Å1.54Å
CAECADsing1.53Å1.54Å
CAEOAHsing1.43Å1.44Å
CADNAGsing1.46Å1.49Å
CADCACsing1.53Å1.55Å
NAGCAPsing1.35Å1.36Å
CAPCAQsing1.51Å1.53Å
CAPOARdoub1.21Å1.23Å
CACCAIsing1.53Å1.55Å
CAICAKsing1.53Å1.55Å
CAIOAOsing1.43Å1.44Å
CAKOANsing1.43Å1.44Å
CAKCALsing1.53Å1.54Å
CALOAMsing1.43Å1.43Å
C4H1sing1.09Å1.10Å
C5H2sing1.09Å1.10Å
C6H3sing1.09Å1.10Å
C6H4sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
OBQH6sing0.97Å0.95Å
CBPH7sing1.09Å1.10Å
CBPH8sing1.09Å1.10Å
CBHH9sing1.09Å1.10Å
CBJH10sing1.09Å1.10Å
OBMH11sing0.97Å0.95Å
CBKH12sing1.09Å1.10Å
OBNH13sing0.97Å0.95Å
CBLH14sing1.09Å1.10Å
OBOH15sing0.97Å0.95Å
CBGH16sing1.09Å1.10Å
C1H17sing1.09Å1.10Å
C2H18sing1.09Å1.10Å
O2H19sing0.97Å0.95Å
O3H20sing0.97Å0.95Å
O4H21sing0.97Å0.95Å
OASH22sing0.97Å0.95Å
CAFH23sing1.09Å1.10Å
CAFH24sing1.09Å1.10Å
CAEH25sing1.09Å1.10Å
OAHH26sing0.97Å0.95Å
CADH27sing1.09Å1.10Å
NAGH28sing0.97Å1.00Å
CAQH29sing1.09Å1.10Å
CAQH30sing1.09Å1.10Å
CAQH31sing1.09Å1.10Å
CACH32sing1.09Å1.10Å
CAIH33sing1.09Å1.10Å
OAOH34sing0.97Å0.95Å
CAKH35sing1.09Å1.10Å
OANH36sing0.97Å0.95Å
CALH37sing1.09Å1.10Å
CALH38sing1.09Å1.10Å
OAMH39sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C5C4O4111.1°109.5°
C5C4C3108.8°109.2°
C4C5O5110.4°109.4°
C4C5C6111.1°109.5°
C5C4H1108.4°109.6°
C4C5H2108.4°109.5°
O4C4C3109.8°109.5°
O4C4H1110.0°109.6°
C4O4H21109.5°114.0°
C4C3C2109.3°109.0°
C4C3O3110.2°109.6°
C3C4H1108.7°109.5°
C4C3H5108.6°109.5°
O5C5C6108.9°109.5°
C5O5C1112.5°114.1°
O5C5H2109.5°109.5°
C5C6O6112.0°109.5°
C6C5H2108.5°109.5°
C5C6H3108.9°109.5°
C5C6H4108.8°109.5°
C6O6CAA116.0°114.0°
O6C6H3108.8°109.5°
O6C6H4108.8°109.4°
C2C3O3110.3°109.6°
C3C2C1109.1°109.2°
C3C2O2110.6°109.5°
C2C3H5108.6°109.6°
C3C2H18108.6°109.5°
O3C3H5109.9°109.6°
C3O3H20109.5°114.0°
OBQCBPCBH109.7°109.4°
CBPOBQH6109.5°114.0°
OBQCBPH7109.4°109.5°
OBQCBPH8109.4°109.5°
CBPCBHOBI109.1°109.5°
CBPCBHCBG109.8°109.5°
CBHCBPH7109.4°109.5°
CBHCBPH8109.4°109.4°
CBPCBHH9109.0°109.5°
OBICBHCBG110.2°109.4°
CBHOBICBJ111.8°114.1°
OBICBHH9109.9°109.5°
CBHCBGCBL108.4°109.2°
CBHCBGO1110.1°109.5°
CBGCBHH9108.9°109.5°
CBHCBGH16109.2°109.5°
OBICBJOBM110.0°109.5°
OBICBJCBK110.5°109.4°
OBICBJH10109.1°109.5°
OBMCBJCBK109.6°109.4°
OBMCBJH10109.5°109.4°
CBJOBMH11109.5°114.0°
CBJCBKOBN110.0°109.5°
CBJCBKCBL108.9°109.1°
CBKCBJH10108.2°109.5°
CBJCBKH12108.6°109.5°
OBNCBKCBL110.6°109.5°
OBNCBKH12110.0°109.6°
CBKOBNH13109.5°114.0°
CBKCBLOBO109.8°109.5°
CBKCBLCBG109.0°109.0°
CBLCBKH12108.7°109.6°
CBKCBLH14108.8°109.6°
OBOCBLCBG110.3°109.6°
OBOCBLH14110.1°109.6°
CBLOBOH15109.5°114.0°
CBLCBGO1109.5°109.5°
CBGCBLH14108.8°109.7°
CBLCBGH16109.3°109.6°
CBGO1C1112.7°114.0°
O1CBGH16110.5°109.5°
O1C1O5110.6°109.5°
O1C1C2109.1°109.5°
O1C1H17109.3°109.5°
O5C1C2110.5°109.4°
O5C1H17109.1°109.5°
C1C2O2110.1°109.5°
C2C1H17108.2°109.5°
C1C2H18108.5°109.5°
O2C2H18109.9°109.6°
C2O2H19109.5°114.0°
O6CAACAJ107.4°109.5°
O6CAAOAB107.2°109.5°
O6CAACAF109.4°109.5°
CAJCAAOAB112.8°109.5°
CAJCAACAF111.1°109.5°
CAACAJOAT118.7°120.0°
CAACAJOAS116.9°120.0°
OABCAACAF108.9°109.4°
CAAOABCAC115.6°114.1°
CAACAFCAE110.3°109.2°
CAACAFH23109.3°109.5°
CAACAFH24109.3°109.5°
OATCAJOAS124.4°120.0°
CAJOASH22109.5°117.0°
OABCACCAD108.3°109.4°
OABCACCAI110.0°109.4°
OABCACH32110.1°109.4°
CAFCAECAD110.3°109.0°
CAFCAEOAH109.5°109.5°
CAECAFH23109.2°109.6°
CAECAFH24109.3°109.5°
CAFCAEH25108.2°109.5°
CADCAEOAH110.9°109.6°
CAECADNAG109.6°109.5°
CAECADCAC109.0°109.1°
CADCAEH25108.2°109.6°
CAECADH27109.0°109.5°
OAHCAEH25109.6°109.6°
CAEOAHH26109.5°114.1°
NAGCADCAC110.8°109.5°
CADNAGCAP124.3°120.0°
NAGCADH27109.7°109.5°
CADNAGH28117.9°120.0°
CADCACCAI110.7°109.5°
CACCADH27108.8°109.6°
CADCACH32108.8°109.5°
NAGCAPCAQ114.3°120.0°
NAGCAPOAR124.8°120.0°
CAPNAGH28117.9°120.0°
CAQCAPOAR120.8°120.0°
CAPCAQH29109.5°109.5°
CAPCAQH30109.5°109.4°
CAPCAQH31109.5°109.5°
CACCAICAK110.2°109.5°
CACCAIOAO110.7°109.5°
CAICACH32108.8°109.5°
CACCAIH33108.3°109.4°
CAKCAIOAO109.7°109.4°
CAICAKOAN110.4°109.5°
CAICAKCAL110.0°109.5°
CAKCAIH33108.3°109.5°
CAICAKH35108.3°109.5°
OAOCAIH33109.7°109.5°
CAIOAOH34109.5°114.0°
OANCAKCAL109.9°109.5°
OANCAKH35109.7°109.4°
CAKOANH36109.5°114.0°
CAKCALOAM109.8°109.5°
CALCAKH35108.5°109.5°
CAKCALH37109.4°109.4°
CAKCALH38109.4°109.5°
OAMCALH37109.4°109.5°
OAMCALH38109.4°109.5°
CALOAMH39109.5°114.0°
H3C6H4109.5°109.4°
H7CBPH8109.5°109.5°
H23CAFH24109.5°109.6°
H29CAQH30109.5°109.5°
H29CAQH31109.4°109.5°
H30CAQH31109.5°109.4°
H37CALH38109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C5C4O4C3120.4°119.7°
C5C4O4H1120.0°120.2°
C5C4C3H1117.9°119.9°
C4C5O5C6122.2°120.0°
C4C5O5H2119.3°120.0°
C4C5C6H2119.1°120.0°
C4C5C6O645.5°175.0°
C5C4C3C258.3°57.0°
C5C4C3O3179.6°176.8°
C4C5O5C158.8°61.2°
C4C5C6H374.9°54.9°
C4C5C6H4165.9°65.0°
C5C4C3H559.9°62.9°
C5C4O4H21180.0°180.0°
O4C4C3H1120.3°120.2°
O4C4C5O563.1°62.3°
O4C4C5C657.8°57.7°
O4C4C3C263.4°62.9°
O4C4C3O357.9°56.9°
O4C4C5H2177.0°177.8°
O4C4C3H5178.3°177.2°
C3C4C5O557.9°57.6°
C3C4C5C6178.8°177.6°
C4C3C2O3121.3°119.9°
C4C3C2H5118.3°119.8°
C4C3O3H5119.7°120.2°
C4C3C2C158.6°57.0°
C4C3C2O2179.9°176.9°
C3C4C5H262.0°62.4°
C4C3C2H1859.5°63.0°
C4C3O3H20180.0°180.0°
C3C4O4H2159.6°60.3°
O5C5C6H2119.2°120.0°
O5C5C6O6167.3°65.0°
C5O5C1O1179.9°178.9°
C5O5C1C259.0°61.1°
O5C5C4H1176.0°177.5°
O5C5C6H346.9°174.9°
O5C5C6H472.3°54.9°
C5O5C1H1759.8°58.8°
C5C6O6H3120.4°120.0°
C5C6O6H4120.4°120.0°
C6C5O5C1179.0°178.8°
C5C6O6CAA109.3°174.5°
C6C5C4H163.1°62.5°
C5C6H3H4118.9°120.0°
C6O6CAACAJ59.3°177.2°
C6O6CAAOAB62.1°57.1°
C6O6CAACAF180.0°62.8°
O6C6C5H273.5°55.0°
O6C6H3H4118.8°120.0°
C2C3O3H5119.6°120.3°
C3C2C1O1179.8°177.6°
C3C2C1O558.0°57.6°
C3C2C1O2121.6°119.9°
C3C2C1H18118.1°119.9°
C3C2O2H18119.9°120.1°
C2C3C4H1176.3°176.9°
C3C2C1H1761.3°62.4°
C3C2O2H19180.0°180.0°
C2C3O3H2059.3°60.5°
O3C3C2C1179.8°176.9°
O3C3C2O258.9°63.2°
O3C3C4H162.5°63.2°
O3C3C2H1861.8°56.9°
OBQCBPCBHH7120.0°120.0°
OBQCBPCBHH8120.0°120.0°
OBQCBPCBHOBI59.3°65.0°
OBQCBPCBHCBG179.9°175.1°
OBQCBPH7H8119.9°120.1°
OBQCBPCBHH960.7°55.0°
CBPCBHOBICBG120.6°120.0°
CBPCBHOBIH9119.4°120.0°
CBPCBHCBGH9119.2°120.0°
CBPCBHOBICBJ179.5°178.8°
CBPCBHCBGCBL179.5°177.6°
CBPCBHCBGO160.8°62.5°
CBHCBPOBQH6180.0°180.0°
CBHCBPH7H8119.9°120.0°
CBPCBHCBGH1660.6°57.6°
OBICBHCBGH9120.6°120.0°
CBHOBICBJOBM179.5°178.8°
CBHOBICBJCBK59.3°61.2°
OBICBHCBGCBL59.4°57.7°
OBICBHCBGO1179.1°177.5°
OBICBHCBPH760.7°55.0°
OBICBHCBPH8179.3°175.0°
CBHOBICBJH1059.4°58.8°
OBICBHCBGH1659.5°62.3°
CBGCBHOBICBJ59.9°61.2°
CBHCBGCBLCBK59.4°57.0°
CBHCBGCBLOBO180.0°176.8°
CBHCBGCBLO1120.0°119.9°
CBHCBGCBLH16118.9°120.0°
CBHCBGO1H16120.6°120.2°
CBHCBGO1C1125.3°150.0°
CBGCBHCBPH760.1°64.9°
CBGCBHCBPH859.9°55.1°
CBHCBGCBLH1459.2°62.9°
OBICBJOBMCBK121.6°120.0°
OBICBJOBMH10119.9°120.0°
OBICBJCBKH10119.3°120.0°
OBICBJCBKOBN179.6°177.5°
OBICBJCBKCBL58.3°57.6°
CBJOBICBHH960.1°58.8°
OBICBJOBMH11180.0°59.9°
OBICBJCBKH1260.0°62.3°
OBMCBJCBKH10119.3°120.0°
OBMCBJCBKOBN59.0°62.5°
OBMCBJCBKCBL179.6°177.6°
OBMCBJCBKH1261.4°57.7°
CBJCBKOBNCBL120.4°119.6°
CBJCBKOBNH12119.6°120.2°
CBJCBKCBLH12118.2°119.9°
CBJCBKCBLOBO179.9°176.8°
CBJCBKCBLCBG58.9°57.0°
CBKCBJOBMH1158.4°179.9°
CBJCBKOBNH13180.0°60.0°
CBJCBKCBLH1459.6°63.0°
OBNCBKCBLH12120.8°120.2°
OBNCBKCBLOBO59.1°63.3°
OBNCBKCBLCBG179.9°176.9°
OBNCBKCBJH1060.3°57.5°
OBNCBKCBLH1461.4°56.9°
CBKCBLOBOCBG120.2°119.5°
CBKCBLOBOH14119.7°120.2°
CBKCBLCBGH14118.5°119.9°
CBKCBLCBGO1179.4°176.9°
CBLCBKCBJH1061.1°62.4°
CBLCBKOBNH1359.7°179.7°
CBKCBLOBOH15180.0°60.0°
CBKCBLCBGH1659.5°62.9°
OBOCBLCBGH14120.8°120.3°
OBOCBLCBGO160.0°63.3°
OBOCBLCBKH1261.7°56.9°
OBOCBLCBGH1661.1°56.9°
CBLCBGO1H16120.4°120.2°
CBLCBGO1C1115.7°90.3°
CBLCBGCBHH961.3°62.3°
CBGCBLCBKH1259.3°62.9°
CBGCBLOBOH1559.8°179.5°
CBGO1C1O558.5°65.0°
CBGO1C1C2179.8°175.1°
O1CBGCBHH958.4°57.5°
O1CBGCBLH1460.9°57.0°
CBGO1C1H1761.6°55.0°
O1C1O5C2120.9°120.0°
O1C1O5H17120.3°120.0°
O1C1C2H17118.8°120.0°
O1C1C2O258.6°62.5°
C1O1CBGH164.6°29.8°
O1C1C2H1861.7°57.7°
O5C1C2H17119.4°120.0°
O5C1C2O2179.6°177.5°
C1O5C5H260.5°58.8°
O5C1C2H1860.1°62.3°
C1C2O2H18119.5°120.2°
C1C2C3H559.7°62.8°
C1C2O2H1959.4°60.3°
O2C2C3H561.5°57.1°
O2C2C1H1760.2°57.5°
O6CAACAJOAB117.9°120.0°
O6CAACAJCAF119.6°120.0°
O6CAAOABCAF118.2°119.9°
O6CAACAJOAT117.3°3.9°
O6CAACAJOAS62.2°176.1°
O6CAAOABCAC176.8°178.9°
O6CAACAFCAE170.9°177.6°
CAAO6C6H3130.3°54.5°
CAAO6C6H411.1°65.5°
O6CAACAFH2350.8°57.6°
O6CAACAFH2468.9°62.5°
CAJCAAOABCAF123.7°120.0°
CAACAJOATOAS179.5°180.0°
CAJCAAOABCAC65.2°58.8°
CAJCAACAFCAE70.7°62.4°
CAACAJOASH22179.5°180.0°
CAJCAACAFH23169.2°177.7°
CAJCAACAFH2449.4°57.5°
OABCAACAJOAT0.7°116.1°
OABCAACAJOAS179.8°63.8°
OABCAACAFCAE54.1°57.6°
CAAOABCACCAD60.6°61.2°
CAAOABCACCAI178.2°178.9°
OABCAACAFH2366.1°62.3°
OABCAACAFH24174.2°177.5°
CAAOABCACH3258.3°58.8°
CAFCAACAJOAT123.2°123.9°
CAFCAACAJOAS57.3°56.1°
CAFCAAOABCAC58.5°61.2°
CAACAFCAEH23120.1°119.9°
CAACAFCAEH24120.1°119.9°
CAACAFCAECAD56.5°57.0°
CAACAFCAEOAH178.9°176.9°
CAACAFH23H24119.6°120.1°
CAACAFCAEH2561.7°62.9°
OATCAJOASH220.0°0.0°
OABCACCADCAE58.1°57.6°
OABCACCADNAG178.8°177.6°
OABCACCADCAI120.7°119.9°
OABCACCADH32119.8°120.0°
OABCACCAIH32120.7°120.0°
OABCACCAICAK53.4°55.0°
OABCACCAIOAO68.0°65.0°
OABCACCADH2760.6°62.3°
OABCACCAIH33171.7°175.0°
CAFCAECADOAH121.6°119.8°
CAFCAECADH25118.2°119.9°
CAFCAEOAHH25118.6°120.2°
CAFCAECADNAG179.5°176.9°
CAFCAECADCAC58.1°57.0°
CAECAFH23H24119.6°120.2°
CAFCAEOAHH26180.0°60.0°
CAFCAECADH2760.5°63.0°
CADCAEOAHH25119.4°120.2°
CAECADNAGCAC120.3°119.7°
CAECADNAGH27119.6°120.2°
CAECADCACH27118.7°119.9°
CAECADNAGCAP132.8°85.0°
CAECADCACCAI178.8°177.6°
CADCAECAFH2363.6°62.9°
CADCAECAFH24176.6°176.9°
CADCAEOAHH2658.0°179.5°
CAECADNAGH2847.2°95.0°
CAECADCACH3261.6°62.3°
OAHCAECADNAG59.0°63.2°
OAHCAECADCAC179.7°176.9°
OAHCAECAFH2358.7°57.0°
OAHCAECAFH2461.0°63.2°
OAHCAECADH2761.1°56.9°
NAGCADCACH27120.6°120.2°
CADNAGCAPH28180.0°180.0°
CADNAGCAPCAQ180.0°180.0°
CADNAGCAPOAR0.2°0.0°
NAGCADCACCAI60.6°62.5°
NAGCADCAEH2561.3°57.0°
NAGCADCACH3259.0°57.6°
CACCADNAGCAP106.9°155.3°
CADCACCAIH32119.6°120.1°
CADCACCAICAK173.1°174.9°
CADCACCAIOAO51.6°54.9°
CACCADCAEH2560.1°62.9°
CACCADNAGH2873.0°24.7°
CADCACCAIH3368.6°65.1°
NAGCAPCAQOAR179.8°180.0°
CAPNAGCADH2713.2°35.1°
NAGCAPCAQH29179.8°0.0°
NAGCAPCAQH3060.2°120.0°
NAGCAPCAQH3159.8°120.0°
CAQCAPNAGH280.0°0.0°
CAPCAQH29H30120.0°120.0°
CAPCAQH29H31120.0°120.0°
CAPCAQH30H31120.0°119.9°
OARCAPNAGH28179.8°180.0°
OARCAPCAQH290.0°179.9°
OARCAPCAQH30120.0°60.0°
OARCAPCAQH31120.0°59.9°
CACCAICAKOAO122.0°120.1°
CACCAICAKH33118.2°120.0°
CACCAIOAOH33119.4°120.0°
CACCAICAKOAN57.9°59.9°
CACCAICAKCAL179.4°179.9°
CAICACCADH2760.1°57.6°
CACCAIOAOH34180.0°59.9°
CACCAICAKH3562.3°60.0°
CAKCAIOAOH33118.9°120.0°
CAICAKOANCAL121.5°120.0°
CAICAKOANH35119.3°120.0°
CAICAKCALH35118.3°120.1°
CAICAKCALOAM173.0°175.0°
CAKCAICACH3267.3°65.0°
CAKCAIOAOH3458.3°60.1°
CAICAKOANH36180.0°60.0°
CAICAKCALH3767.0°55.0°
CAICAKCALH3852.9°65.0°
OAOCAICAKOAN180.0°180.0°
OAOCAICAKCAL58.6°60.0°
OAOCAICACH32171.2°175.0°
OAOCAICAKH3559.8°60.1°
OANCAKCALH35120.0°119.9°
OANCAKCALOAM51.2°65.0°
OANCAKCAIH3360.3°60.0°
OANCAKCALH37171.2°175.0°
OANCAKCALH3868.8°55.0°
CAKCALOAMH37120.0°119.9°
CAKCALOAMH38120.0°120.0°
CALCAKCAIH3361.1°60.0°
CALCAKOANH3658.5°60.0°
CAKCALH37H38119.9°120.0°
CAKCALOAMH39180.0°180.0°
OAMCALCAKH3568.8°54.9°
OAMCALH37H38119.9°120.0°
H1C4C5H256.0°57.6°
H1C4C3H558.0°57.1°
H1C4O4H2160.0°59.8°
H2C5C6H3166.1°65.1°
H2C5C6H446.8°175.0°
H5C3C2H18177.8°177.2°
H5C3O3H2060.3°59.8°
H6OBQCBPH760.0°60.0°
H6OBQCBPH860.0°60.0°
H7CBPCBHH9179.3°175.0°
H8CBPCBHH959.3°65.0°
H9CBHCBGH16179.8°177.7°
H10CBJOBMH1160.1°60.1°
H10CBJCBKH12179.3°177.7°
H12CBKOBNH1360.4°60.1°
H12CBKCBLH14177.8°177.1°
H14CBLOBOH1560.3°60.1°
H14CBLCBGH16178.0°177.1°
H17C1C2H18179.4°177.7°
H18C2O2H1960.1°59.9°
H23CAFCAEH25178.2°177.2°
H24CAFCAEH2558.4°57.0°
H25CAEOAHH2661.4°60.2°
H25CAECADH27178.7°177.2°
H27CADNAGH28166.8°144.8°
H27CADCACH32179.7°177.7°
H29CAQH30H31120.0°120.0°
H32CACCAIH3351.0°55.0°
H33CAIOAOH3460.6°179.9°
H33CAICAKH35179.5°179.9°
H35CAKOANH3660.6°180.0°
H35CAKCALH3751.3°65.0°
H35CAKCALH38171.2°174.9°
H37CALOAMH3960.0°60.0°
H38CALOAMH3960.0°60.0°

219869

PDB entries from 2024-05-15

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