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RB6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NBGCBDsing1.38Å1.33Å
SBECBDsing1.72Å1.70ÅAromatic
SBENBFsing1.70Å1.63ÅAromatic
CBDNBCdoub1.31Å1.30ÅAromatic
NBFCBBdoub1.31Å1.34ÅAromatic
NBCCBBsing1.32Å1.34ÅAromatic
OCdoub1.21Å1.22Å
CBBCAYsing1.48Å1.47Å
CCAsing1.51Å1.49Å
OBJCBHdoub1.21Å1.25Å
CAYNAZdoub1.30Å1.26Å
CAYCAWsing1.48Å1.45Å
NAZOBAsing1.42Å1.38Å
CALCAMsing1.54Å1.51Å
CALCAKsing1.54Å1.50Å
CAMNANsing1.49Å1.46Å
NCAWsing1.35Å1.31Å
NCAsing1.46Å1.46Å
CAWOAXdoub1.21Å1.20Å
CBHOBIsing1.35Å1.25Å
CBHCADsing1.47Å1.46Å
CACBsing1.53Å1.51Å
NANCAOsing1.49Å1.46Å
CADNACsing1.39Å1.33Å
CADCAEdoub1.31Å1.35Å
NACCBsing1.47Å1.46Å
CAPCAQsing1.51Å1.51Å
CAPNAJsing1.47Å1.44Å
CAQCAGdoub1.33Å1.49Å
NAJCAHsing1.35Å1.29Å
NAJCAKsing1.47Å1.45Å
CAHCAGsing1.47Å1.44Å
CAHOAIdoub1.22Å1.20Å
CAGCAFsing1.51Å1.33Å
CAFCAEsing1.51Å1.46Å
CAOCAKsing1.54Å1.51Å
CAECARsing1.50Å1.51Å
CBSASsing1.82Å1.73Å
CARSASsing1.82Å1.73Å
NBGH1sing0.97Å1.00Å
NBGH2sing0.97Å1.00Å
OBAH3sing0.97Å0.95Å
NH4sing0.97Å1.00Å
CAH5sing1.09Å1.10Å
CH6sing1.08Å1.08Å
CBH7sing1.09Å1.10Å
CARH8sing1.09Å1.10Å
CARH9sing1.09Å1.10Å
NACH10sing0.97Å1.00Å
OBIH11sing0.97Å0.95Å
CAFH12sing1.09Å1.10Å
CAFH13sing1.09Å1.10Å
CAQH14sing1.08Å1.08Å
CAPH15sing1.09Å1.10Å
CAPH16sing1.09Å1.10Å
CAKH17sing1.09Å1.10Å
CALH18sing1.09Å1.10Å
CALH19sing1.09Å1.10Å
CAMH20sing1.09Å1.10Å
CAMH21sing1.09Å1.10Å
NANH22sing1.01Å1.00Å
CAOH24sing1.09Å1.10Å
CAOH25sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NBGCBDSBE128.9°127.4°
NBGCBDNBC118.8°127.4°
CBDNBGH1109.5°120.0°
CBDNBGH2109.5°120.0°
CBDSBENBF92.5°94.7°
SBECBDNBC112.3°105.3°
SBENBFCBB107.4°105.8°
CBDNBCCBB108.5°116.8°
NBFCBBNBC119.1°117.4°
NBFCBBCAY119.7°121.3°
NBCCBBCAY121.1°121.3°
OCCA120.0°120.0°
OCH6120.0°120.0°
CBBCAYNAZ117.3°120.0°
CBBCAYCAW116.4°120.0°
CCAN114.7°109.5°
CCACB105.9°109.5°
CCAH5107.9°109.5°
CACH6120.0°120.0°
OBJCBHOBI113.9°120.0°
OBJCBHCAD120.0°120.0°
NAZCAYCAW126.3°120.0°
CAYNAZOBA129.3°120.0°
CAYCAWN125.5°120.0°
CAYCAWOAX113.1°120.0°
NAZOBAH3109.5°114.0°
CAMCALCAK101.3°105.0°
CALCAMNAN104.4°104.6°
CAMCALH18111.5°110.4°
CAMCALH19111.5°110.4°
CALCAMH20110.7°110.4°
CALCAMH21110.7°110.4°
CALCAKNAJ108.6°110.3°
CALCAKCAO103.6°105.2°
CALCAKH17109.3°110.3°
CAKCALH18111.5°110.3°
CAKCALH19111.5°110.3°
CAMNANCAO109.2°104.2°
NANCAMH20110.7°110.4°
NANCAMH21110.7°110.4°
CAMNANH22109.5°111.0°
CAWNCA125.8°120.0°
NCAWOAX121.4°120.0°
CAWNH4117.1°120.0°
NCACB112.1°109.5°
CANH4117.1°119.9°
NCAH5108.3°109.5°
OBICBHCAD126.0°120.0°
CBHOBIH11109.5°117.0°
CBHCADNAC117.0°116.4°
CBHCADCAE121.3°116.3°
CACBNAC111.4°109.9°
CACBSAS108.6°109.9°
CBCAH5107.6°109.5°
CACBH7108.1°109.9°
NANCAOCAK104.6°104.5°
CAONANH22109.6°111.0°
NANCAOH24110.7°110.4°
NANCAOH25110.7°110.4°
NACCADCAE121.8°127.3°
CADNACCB129.3°120.9°
CADNACH10104.3°119.6°
CADCAECAF119.2°117.2°
CADCAECAR123.5°125.6°
NACCBSAS113.8°107.2°
NACCBH7108.8°110.0°
CBNACH10104.3°119.5°
CAQCAPNAJ101.7°105.8°
CAPCAQCAG103.5°107.0°
CAPCAQH14128.3°126.5°
CAQCAPH15111.4°110.2°
CAQCAPH16111.4°110.2°
CAPNAJCAH119.4°107.4°
CAPNAJCAK117.6°126.4°
NAJCAPH15111.4°110.0°
NAJCAPH16111.4°110.3°
CAQCAGCAH111.1°109.8°
CAQCAGCAF126.1°125.1°
CAGCAQH14128.2°126.5°
CAHNAJCAK122.8°126.3°
NAJCAHCAG104.3°110.0°
NAJCAHOAI127.5°125.0°
NAJCAKCAO116.0°110.3°
NAJCAKH17110.0°110.2°
CAGCAHOAI128.1°125.0°
CAHCAGCAF122.8°125.1°
CAGCAFCAE129.3°109.5°
CAGCAFH12104.3°109.5°
CAGCAFH13104.3°109.5°
CAFCAECAR117.3°117.2°
CAECAFH12104.3°109.4°
CAECAFH13104.3°109.4°
CAOCAKH17109.1°110.3°
CAKCAOH24110.7°110.5°
CAKCAOH25110.7°110.5°
CAECARSAS113.1°109.4°
CAECARH8108.6°109.5°
CAECARH9108.6°109.4°
CBSASCAR105.4°101.2°
SASCBH7105.8°110.0°
SASCARH8108.5°109.5°
SASCARH9108.5°109.5°
H1NBGH2109.5°120.0°
H8CARH9109.5°109.5°
H12CAFH13109.5°109.5°
H15CAPH16109.5°110.2°
H18CALH19109.5°110.3°
H20CAMH21109.5°110.4°
H24CAOH25109.4°110.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NBGCBDSBENBC178.7°179.7°
NBGCBDSBENBF178.5°180.0°
NBGCBDNBCCBB178.9°179.8°
CBDNBGH1H2120.0°180.0°
CBDSBENBFCBB2.3°0.0°
SBECBDNBCCBB2.3°0.4°
SBECBDNBGH10.0°0.1°
SBECBDNBGH2120.0°179.9°
NBFSBECBDNBC2.8°0.2°
SBENBFCBBNBC1.6°0.2°
SBENBFCBBCAY178.1°180.0°
CBDNBCCBBNBF0.5°0.5°
CBDNBCCBBCAY179.9°179.8°
NBCCBDNBGH1178.6°179.7°
NBCCBDNBGH258.6°0.2°
NBFCBBNBCCAY179.6°179.8°
NBFCBBCAYNAZ1.6°174.2°
NBFCBBCAYCAW177.0°5.8°
NBCCBBCAYNAZ178.8°6.0°
NBCCBBCAYCAW2.7°174.0°
OCCAH6180.0°180.0°
OCCAN22.2°0.1°
OCCACB102.1°120.0°
OCCAH5143.0°120.0°
CBBCAYNAZCAW178.4°180.0°
CBBCAYNAZOBA180.0°174.9°
CBBCAYCAWN105.9°5.6°
CBBCAYCAWOAX76.0°174.1°
CCANCAW112.5°85.0°
CCANCB120.9°120.0°
CCANH5120.6°120.0°
CCACBH5115.2°120.0°
CCACBNAC33.8°57.7°
CCACBSAS159.9°60.0°
CCANH467.4°95.0°
CCACBH785.8°178.8°
OBJCBHOBICAD177.2°180.0°
OBJCBHCADNAC133.6°65.5°
OBJCBHCADCAE47.0°114.6°
OBJCBHOBIH110.0°0.0°
NAZCAYCAWN75.7°174.3°
NAZCAYCAWOAX102.4°5.9°
CAYNAZOBAH3180.0°180.0°
CAWCAYNAZOBA1.7°5.2°
CAYCAWNOAX177.9°179.7°
CAYCAWNCA164.4°175.4°
CAYCAWNH415.6°4.7°
CAMCALCAKH18118.6°118.9°
CAMCALCAKH19118.6°119.0°
CALCAMNANH20119.2°118.8°
CALCAMNANH21119.2°118.8°
CALCAMNANCAO20.2°39.5°
CAMCALCAKNAJ164.3°118.9°
CAMCALCAKCAO40.4°0.0°
CAMCALCAKH1775.8°119.0°
CAMCALH18H19123.8°122.3°
CALCAMH20H21122.4°122.4°
CALCAMNANH2299.7°80.1°
CAKCALCAMNAN37.3°23.8°
CALCAKCAONAN28.7°23.8°
CALCAKNAJCAP118.2°121.4°
CALCAKNAJCAH67.3°58.6°
CALCAKNAJCAO116.1°115.8°
CALCAKNAJH17119.5°122.1°
CALCAKCAOH17116.3°119.0°
CAKCALH18H19123.8°122.1°
CAKCALCAMH20156.4°142.6°
CAKCALCAMH2181.9°95.0°
CALCAKCAOH2490.5°94.9°
CALCAKCAOH25147.9°142.6°
CAMNANCAOH22120.0°119.5°
CAMNANCAOCAK5.2°39.5°
NANCAMCALH18155.9°95.0°
NANCAMCALH1981.4°142.8°
NANCAMH20H21122.3°122.4°
CAMNANCAOH24114.0°79.3°
CAMNANCAOH25124.5°158.3°
CAWNCAH4180.0°180.0°
CAWNCACB126.6°155.0°
CAWNCAH58.1°35.0°
CANCAWOAX17.7°4.9°
NCACBH5118.9°120.0°
NCACBNAC92.1°177.7°
NCACBSAS34.0°60.0°
NCACH6157.8°180.0°
NCACBH7148.4°61.1°
OAXCAWNH4162.3°175.1°
OBICBHCADNAC43.4°114.5°
OBICBHCADCAE135.9°65.4°
CBHCADNACCAE179.3°179.9°
CBHCADNACCB162.2°165.2°
CBHCADCAECAF0.0°0.8°
CBHCADCAECAR179.2°179.2°
CBHCADNACH1039.7°14.7°
CADCBHOBIH11177.2°180.0°
CACBNACCAD123.0°164.2°
CACBNACSAS123.2°119.4°
CACBNACH7119.1°121.1°
CACBSASH7115.9°121.1°
CACBSASCAR98.3°175.7°
CBCANH453.4°25.0°
CBCACH677.9°60.0°
CACBNACH10114.4°15.9°
NANCAOCAKNAJ147.6°95.1°
NANCAOCAKH24119.2°118.7°
NANCAOCAKH25119.2°118.8°
NANCAOCAKH1787.6°142.8°
CAONANCAMH20139.4°158.3°
CAONANCAMH2199.0°79.3°
NANCAOH24H25122.3°122.4°
CADNACCBH10122.6°179.9°
NACCADCAECAF179.3°179.1°
NACCADCAECAR0.1°0.9°
CADNACCBSAS0.2°44.8°
CADNACCBH7117.8°74.7°
CAECADNACCB17.1°14.9°
CADCAECAFCAG154.1°97.8°
CADCAECAFCAR179.2°179.9°
CADCAECARSAS29.5°21.3°
CADCAECARH891.0°98.7°
CADCAECARH9150.0°141.2°
CAECADNACH10139.7°165.2°
CADCAECAFH1283.3°142.2°
CADCAECAFH1331.5°22.2°
NACCBSASH7119.4°119.5°
NACCBSASCAR26.5°56.3°
NACCBCAH5149.0°62.3°
CAQCAPNAJH15118.7°119.0°
CAQCAPNAJH16118.7°119.2°
CAPCAQCAGH14180.0°179.9°
CAQCAPNAJCAH2.2°0.0°
CAQCAPNAJCAK172.5°180.0°
CAPCAQCAGCAH0.3°0.3°
CAPCAQCAGCAF179.7°179.9°
CAQCAPH15H16123.6°121.8°
NAJCAPCAQCAG1.3°0.2°
CAPNAJCAHCAK174.4°180.0°
CAPNAJCAHCAG2.0°0.1°
CAPNAJCAHOAI180.0°179.8°
CAPNAJCAKCAO2.1°122.8°
NAJCAPCAQH14178.7°179.9°
NAJCAPH15H16123.6°121.8°
CAPNAJCAKH17122.3°0.7°
CAQCAGCAHNAJ0.9°0.3°
CAQCAGCAHCAF179.4°179.7°
CAQCAGCAHOAI179.0°179.7°
CAQCAGCAFCAE0.4°94.6°
CAQCAGCAFH12122.2°25.3°
CAQCAGCAFH13123.0°145.3°
CAGCAQCAPH15120.0°119.1°
CAGCAQCAPH16117.5°119.0°
NAJCAHCAGOAI178.1°180.0°
NAJCAHCAGCAF178.5°179.9°
CAHNAJCAKCAO176.6°57.1°
CAHNAJCAPH15120.9°119.0°
CAHNAJCAPH16116.6°119.2°
CAHNAJCAKH1752.2°179.2°
CAKNAJCAHCAG172.4°179.8°
CAKNAJCAHOAI5.7°0.2°
NAJCAKCAOH17124.8°122.0°
CAKNAJCAPH1553.8°61.0°
CAKNAJCAPH1668.8°60.8°
NAJCAKCALH1877.1°0.0°
NAJCAKCALH1945.6°122.1°
NAJCAKCAOH2428.3°146.2°
NAJCAKCAOH2593.2°23.6°
CAHCAGCAFCAE179.7°85.0°
CAHCAGCAFH1257.1°155.1°
CAHCAGCAFH1357.8°35.0°
CAHCAGCAQH14179.7°179.8°
OAICAHCAGCAF0.4°0.0°
CAGCAFCAEH12122.6°120.0°
CAGCAFCAEH13122.6°120.0°
CAGCAFCAECAR26.7°82.1°
CAGCAFH12H13111.1°120.0°
CAFCAGCAQH140.3°0.1°
CAFCAECARSAS149.7°158.8°
CAFCAECARH889.8°81.2°
CAFCAECARH929.2°38.8°
CAECAFH12H13111.1°119.9°
CAOCAKCALH18159.0°119.0°
CAOCAKCALH1978.3°118.9°
CAKCAONANH22125.2°80.1°
CAKCAOH24H25122.3°122.6°
CAECARSASCB39.1°45.2°
CAECARSASH8120.5°120.0°
CAECARSASH9120.6°119.9°
CAECARH8H9118.4°120.0°
CARCAECAFH1295.9°37.9°
CARCAECAFH13149.2°157.8°
SASCBCAH584.9°180.0°
CBSASCARH881.4°74.8°
CBSASCARH9159.6°165.1°
SASCBNACH10122.4°135.3°
CARSASCBH7145.8°63.2°
SASCARH8H9118.3°120.1°
H4NCAH5172.0°145.0°
H5CACH637.1°60.0°
H5CACBH729.4°58.9°
H7CBNACH104.7°105.2°
H14CAQCAPH1560.0°60.9°
H14CAQCAPH1662.5°60.9°
H17CAKCALH1842.9°122.0°
H17CAKCALH19165.6°0.1°
H17CAKCAOH24153.2°24.1°
H17CAKCAOH2531.7°98.4°
H18CALCAMH2084.9°23.8°
H18CALCAMH2136.7°146.1°
H19CALCAMH2037.8°98.5°
H19CALCAMH21159.4°23.9°
H20CAMNANH2219.4°38.7°
H21CAMNANH22141.1°161.1°
H22NANCAOH246.0°161.1°
H22NANCAOH25115.6°38.7°

222415

PDB entries from 2024-07-10

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