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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBNNBMsing1.46Å1.47Å
NBMCBKsing1.35Å1.35Å
OBLCBKdoub1.22Å1.24Å
CBKCBFsing1.48Å1.40Å
CL1C5sing1.74Å1.74Å
C5C6doub1.38Å1.38ÅAromatic
C5C4sing1.40Å1.39ÅAromatic
C6N1sing1.32Å1.40ÅAromatic
CBFCBGdoub1.40Å1.40ÅAromatic
CBFCBEsing1.40Å1.40ÅAromatic
NBDC4sing1.39Å1.34Å
NBDCBEsing1.39Å1.34Å
C4N3doub1.33Å1.35ÅAromatic
CBGCBHsing1.38Å1.39ÅAromatic
N1C2doub1.33Å1.34ÅAromatic
CBECBJdoub1.39Å1.39ÅAromatic
N3C2sing1.32Å1.35ÅAromatic
C2NAGsing1.39Å1.34Å
CBHCBIdoub1.38Å1.39ÅAromatic
NAGCAHsing1.40Å1.34Å
CBJCBIsing1.38Å1.39ÅAromatic
CAMCAHdoub1.39Å1.40ÅAromatic
CAMCALsing1.38Å1.40ÅAromatic
CAHCAIsing1.39Å1.39ÅAromatic
CALCAKdoub1.38Å1.40ÅAromatic
CAICAJdoub1.38Å1.38ÅAromatic
CAKCAJsing1.38Å1.39ÅAromatic
CAKCANsing1.51Å1.39Å
OATCASdoub1.22Å1.23Å
CANNAOsing1.46Å1.48Å
CASCAPsing1.47Å1.39Å
CASCARsing1.48Å1.39Å
NAOCAPsing1.37Å1.34Å
CAPCAQdoub1.40Å1.40Å
CAROAUdoub1.22Å1.23Å
CARCAQsing1.47Å1.39Å
CAQNAVsing1.37Å1.34Å
NAVCAWsing1.47Å1.47Å
CAWCAXsing1.53Å1.53Å
CAXNAYsing1.46Å1.47Å
CBBCBAsing1.53Å1.53Å
NAYCAZsing1.35Å1.34Å
CBACAZsing1.51Å1.53Å
CAZOBCdoub1.21Å1.23Å
C6H1sing1.08Å1.08Å
CAIH2sing1.08Å1.08Å
CAJH3sing1.08Å1.08Å
CALH4sing1.08Å1.08Å
CAMH5sing1.08Å1.08Å
CANH6sing1.09Å1.10Å
CANH7sing1.09Å1.10Å
CAWH8sing1.09Å1.10Å
CAWH9sing1.09Å1.10Å
CAXH10sing1.09Å1.10Å
CAXH11sing1.09Å1.10Å
CBAH12sing1.09Å1.10Å
CBAH13sing1.09Å1.10Å
CBBH14sing1.09Å1.10Å
CBBH15sing1.09Å1.10Å
CBBH16sing1.09Å1.10Å
CBGH17sing1.08Å1.08Å
CBHH18sing1.08Å1.08Å
CBIH19sing1.08Å1.08Å
CBJH20sing1.08Å1.08Å
CBNH21sing1.09Å1.10Å
CBNH22sing1.09Å1.10Å
CBNH23sing1.09Å1.10Å
NAGH24sing0.97Å1.00Å
NAOH25sing0.97Å1.00Å
NAVH26sing0.97Å1.00Å
NAYH27sing0.97Å1.00Å
NBDH28sing0.97Å1.00Å
NBMH29sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBNNBMCBK117.2°120.0°
NBMCBNH21109.5°109.5°
NBMCBNH22109.5°109.5°
NBMCBNH23109.4°109.5°
CBNNBMH29121.4°120.0°
NBMCBKOBL123.3°120.0°
NBMCBKCBF114.2°120.0°
CBKNBMH29121.4°120.0°
OBLCBKCBF122.5°120.0°
CBKCBFCBG118.0°120.2°
CBKCBFCBE123.5°120.2°
CL1C5C6120.3°120.8°
CL1C5C4121.0°120.8°
C6C5C4118.8°118.4°
C5C6N1118.9°119.3°
C5C6H1120.6°120.3°
C5C4NBD114.5°120.5°
C5C4N3120.2°119.0°
C6N1C2120.8°120.9°
N1C6H1120.6°120.4°
CBGCBFCBE118.5°119.6°
CBFCBGCBH120.9°119.9°
CBFCBGH17119.5°120.0°
CBFCBENBD117.6°120.2°
CBFCBECBJ120.6°119.7°
C4NBDCBE120.7°120.0°
NBDC4N3125.3°120.5°
C4NBDH28119.7°120.0°
NBDCBECBJ121.8°120.1°
CBENBDH28119.7°120.0°
C4N3C2121.2°120.6°
CBGCBHCBI120.1°120.4°
CBHCBGH17119.5°120.1°
CBGCBHH18120.0°119.8°
N1C2N3120.1°121.7°
N1C2NAG113.9°119.2°
CBECBJCBI120.2°120.0°
CBECBJH20119.9°119.9°
N3C2NAG125.9°119.2°
C2NAGCAH126.7°120.0°
C2NAGH24116.6°120.0°
CBHCBICBJ119.7°120.4°
CBICBHH18120.0°119.9°
CBHCBIH19120.1°119.8°
NAGCAHCAM125.8°120.1°
NAGCAHCAI114.8°120.1°
CAHNAGH24116.6°120.0°
CBJCBIH19120.1°119.8°
CBICBJH20119.9°120.0°
CAHCAMCAL119.9°119.9°
CAMCAHCAI119.3°119.9°
CAHCAMH5120.1°120.0°
CAMCALCAK119.7°120.1°
CAMCALH4120.2°120.0°
CALCAMH5120.0°120.1°
CAHCAICAJ121.1°119.9°
CAHCAIH2119.5°120.0°
CALCAKCAJ120.4°120.1°
CALCAKCAN122.6°120.0°
CAKCALH4120.1°120.0°
CAICAJCAK119.6°120.1°
CAJCAIH2119.5°120.0°
CAICAJH3120.2°120.0°
CAJCAKCAN117.0°119.9°
CAKCAJH3120.2°120.0°
CAKCANNAO107.2°109.4°
CAKCANH6110.0°109.4°
CAKCANH7110.0°109.5°
OATCASCAP135.4°135.8°
OATCASCAR134.4°135.8°
CANNAOCAP116.1°120.0°
NAOCANH6110.0°109.5°
NAOCANH7110.1°109.5°
CANNAOH25107.8°120.0°
CAPCASCAR90.2°88.4°
CASCAPNAO134.3°134.2°
CASCAPCAQ89.8°91.6°
CASCAROAU134.6°135.8°
CASCARCAQ90.2°88.4°
NAOCAPCAQ135.8°134.2°
CAPNAOH25107.8°120.0°
CAPCAQCAR89.8°91.6°
CAPCAQNAV136.5°134.2°
OAUCARCAQ135.2°135.8°
CARCAQNAV133.7°134.2°
CAQNAVCAW112.6°120.0°
CAQNAVH26108.7°120.0°
NAVCAWCAX112.2°109.5°
NAVCAWH8108.8°109.4°
NAVCAWH9108.8°109.4°
CAWNAVH26108.7°120.0°
CAWCAXNAY109.6°109.5°
CAXCAWH8108.8°109.5°
CAXCAWH9108.8°109.5°
CAWCAXH10109.4°109.5°
CAWCAXH11109.5°109.5°
CAXNAYCAZ121.4°120.0°
NAYCAXH10109.4°109.5°
NAYCAXH11109.4°109.5°
CAXNAYH27119.3°120.0°
CBBCBACAZ109.5°109.5°
CBBCBAH12109.5°109.5°
CBBCBAH13109.5°109.5°
CBACBBH14109.5°109.5°
CBACBBH15109.5°109.5°
CBACBBH16109.5°109.5°
NAYCAZCBA115.2°120.0°
NAYCAZOBC123.6°119.9°
CAZNAYH27119.3°120.0°
CBACAZOBC121.2°120.0°
CAZCBAH12109.5°109.4°
CAZCBAH13109.4°109.5°
H6CANH7109.5°109.5°
H8CAWH9109.5°109.5°
H10CAXH11109.5°109.5°
H12CBAH13109.5°109.5°
H14CBBH15109.4°109.5°
H14CBBH16109.5°109.5°
H15CBBH16109.5°109.5°
H21CBNH22109.4°109.4°
H21CBNH23109.5°109.5°
H22CBNH23109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CBNNBMCBKH29180.0°180.0°
CBNNBMCBKOBL0.1°0.0°
CBNNBMCBKCBF180.0°180.0°
NBMCBNH21H22120.0°120.0°
NBMCBNH21H23120.0°120.0°
NBMCBNH22H23120.0°120.0°
NBMCBKOBLCBF179.9°180.0°
NBMCBKCBFCBG14.7°1.9°
NBMCBKCBFCBE164.5°178.1°
CBKNBMCBNH21180.0°60.0°
CBKNBMCBNH2260.0°60.0°
CBKNBMCBNH2360.0°180.0°
OBLCBKCBFCBG165.2°178.1°
OBLCBKCBFCBE15.6°1.8°
OBLCBKNBMH29179.9°180.0°
CBKCBFCBGCBE179.2°180.0°
CBKCBFCBENBD1.1°0.3°
CBKCBFCBGCBH179.8°180.0°
CBKCBFCBECBJ179.8°180.0°
CBKCBFCBGH170.2°0.0°
CBFCBKNBMH290.0°0.0°
CL1C5C6C4179.6°180.0°
CL1C5C6N1180.0°180.0°
CL1C5C4NBD0.4°0.3°
CL1C5C4N3179.6°179.9°
CL1C5C6H10.1°0.0°
C5C6N1H1180.0°180.0°
C6C5C4NBD179.3°179.7°
C6C5C4N30.0°0.0°
C5C6N1C20.1°0.0°
C4C5C6N10.3°0.0°
C5C4NBDN3179.2°179.7°
C5C4NBDCBE177.5°174.2°
C5C4N3C20.5°0.1°
C4C5C6H1179.7°180.0°
C5C4NBDH282.5°5.9°
C6N1C2N30.5°0.1°
C6N1C2NAG179.5°180.0°
CBGCBFCBENBD179.7°179.7°
CBFCBGCBHH17180.0°180.0°
CBGCBFCBECBJ1.0°0.0°
CBFCBGCBHCBI0.1°0.0°
CBFCBGCBHH18180.0°180.0°
CBFCBENBDC4122.6°147.7°
CBFCBENBDCBJ178.6°179.8°
CBECBFCBGCBH0.6°0.0°
CBFCBECBJCBI1.0°0.0°
CBECBFCBGH17179.5°180.0°
CBFCBECBJH20179.0°180.0°
CBFCBENBDH2857.4°32.2°
C4NBDCBEH28180.0°180.0°
C4NBDCBECBJ58.8°32.0°
NBDC4N3C2179.8°179.7°
CBENBDC4N31.7°5.6°
NBDCBECBJCBI179.6°179.7°
NBDCBECBJH200.5°0.2°
C4N3C2N10.8°0.1°
C4N3C2NAG179.7°180.0°
N3C4NBDH28178.3°174.4°
CBGCBHCBIH18180.0°179.9°
CBGCBHCBICBJ0.0°0.0°
CBGCBHCBIH19180.0°179.9°
N1C2N3NAG178.9°179.9°
N1C2NAGCAH172.2°5.5°
C2N1C6H1179.9°180.0°
N1C2NAGH247.8°174.4°
CBECBJCBICBH0.5°0.0°
CBECBJCBIH20180.0°180.0°
CBECBJCBIH19179.5°179.9°
CBJCBENBDH28121.2°148.0°
N3C2NAGCAH8.8°174.3°
N3C2NAGH24171.1°5.7°
C2NAGCAHH24180.0°180.0°
C2NAGCAHCAM25.0°37.0°
C2NAGCAHCAI156.8°143.3°
CBHCBICBJH19180.0°179.9°
CBICBHCBGH17180.0°180.0°
CBHCBICBJH20179.6°180.0°
NAGCAHCAMCAI178.1°179.8°
NAGCAHCAMCAL179.1°179.7°
NAGCAHCAICAJ179.3°179.7°
NAGCAHCAIH20.8°0.3°
NAGCAHCAMH50.8°0.2°
CBJCBICBHH18180.0°180.0°
CAHCAMCALH5180.0°179.9°
CAHCAMCALCAK0.4°0.0°
CAMCAHCAICAJ1.0°0.1°
CAMCAHCAIH2179.0°179.9°
CAHCAMCALH4179.6°180.0°
CAMCAHNAGH24154.9°143.0°
CALCAMCAHCAI1.1°0.0°
CAMCALCAKH4180.0°180.0°
CAMCALCAKCAJ0.4°0.0°
CAMCALCAKCAN178.8°180.0°
CAHCAICAJH2180.0°180.0°
CAHCAICAJCAK0.2°0.1°
CAHCAICAJH3179.8°180.0°
CAICAHCAMH5178.9°180.0°
CAICAHNAGH2423.2°36.7°
CALCAKCAJCAI0.5°0.1°
CALCAKCAJCAN178.5°180.0°
CALCAKCANNAO154.2°90.0°
CALCAKCAJH3179.5°180.0°
CAKCALCAMH5179.6°180.0°
CALCAKCANH634.6°29.9°
CALCAKCANH786.1°150.0°
CAICAJCAKH3180.0°179.9°
CAICAJCAKCAN179.0°179.9°
CAJCAKCANNAO24.3°90.0°
CAKCAJCAIH2179.8°179.9°
CAJCAKCALH4179.6°180.0°
CAJCAKCANH6143.9°150.0°
CAJCAKCANH795.4°30.0°
CAKCANNAOH6119.6°120.0°
CAKCANNAOH7119.6°120.0°
CAKCANNAOCAP156.9°180.0°
CANCAKCAJH31.0°0.0°
CANCAKCALH41.2°0.1°
CAKCANH6H7121.0°120.0°
CAKCANNAOH2582.1°0.0°
OATCASCAPCAR180.0°180.0°
OATCASCAPNAO1.1°0.3°
OATCASCAPCAQ179.9°180.0°
OATCASCAROAU0.3°0.1°
OATCASCARCAQ179.9°180.0°
CANNAOCAPCAS99.1°0.4°
CANNAOCAPH25121.0°180.0°
CANNAOCAPCAQ82.7°180.0°
NAOCANH6H7121.1°120.0°
CASCAPNAOCAQ178.2°179.6°
CAPCASCAROAU179.7°180.0°
CAPCASCARCAQ0.1°0.0°
CASCAPCAQNAV179.2°180.0°
CASCAPNAOH25139.9°179.6°
CARCASCAPNAO178.9°179.7°
CASCAROAUCAQ179.8°179.9°
CASCARCAQNAV179.3°180.0°
NAOCAPCAQCAR178.8°179.7°
NAOCAPCAQNAV0.6°0.3°
CAPNAOCANH637.3°60.0°
CAPNAOCANH783.4°60.0°
CAPCAQCAROAU179.7°180.0°
CAPCAQCARNAV179.4°180.0°
CAPCAQNAVCAW11.1°180.0°
CAQCAPNAOH2538.3°0.0°
CAPCAQNAVH26109.3°0.1°
OAUCARCAQNAV0.9°0.1°
CARCAQNAVCAW169.8°0.0°
CARCAQNAVH2669.8°179.9°
CAQNAVCAWH26120.4°179.9°
CAQNAVCAWCAX160.2°180.0°
CAQNAVCAWH879.4°59.9°
CAQNAVCAWH939.8°60.1°
NAVCAWCAXH8120.4°120.0°
NAVCAWCAXH9120.5°119.9°
NAVCAWCAXNAY106.8°180.0°
NAVCAWH8H9118.8°119.9°
NAVCAWCAXH1013.2°60.0°
NAVCAWCAXH11133.2°60.0°
CAWCAXNAYH10120.0°120.0°
CAWCAXNAYH11120.0°120.0°
CAWCAXNAYCAZ171.0°180.0°
CAXCAWH8H9118.7°120.1°
CAWCAXH10H11120.0°120.0°
CAXCAWNAVH2639.8°0.1°
CAWCAXNAYH279.0°0.0°
CAXNAYCAZH27180.0°180.0°
CAXNAYCAZCBA179.6°180.0°
CAXNAYCAZOBC0.3°0.0°
NAYCAXCAWH8132.8°60.1°
NAYCAXCAWH913.7°60.0°
NAYCAXH10H11119.9°120.0°
CBBCBACAZNAY21.5°180.0°
CBBCBACAZH12120.0°120.0°
CBBCBACAZH13120.0°120.0°
CBBCBACAZOBC158.4°0.0°
CBBCBAH12H13120.0°120.1°
CBACBBH14H15120.0°120.0°
CBACBBH14H16120.0°120.0°
CBACBBH15H16120.0°120.0°
NAYCAZCBAOBC179.9°180.0°
CAZNAYCAXH1069.0°60.0°
CAZNAYCAXH1151.0°60.0°
NAYCAZCBAH1298.5°60.0°
NAYCAZCBAH13141.5°60.0°
CAZCBAH12H13120.0°120.0°
CAZCBACBBH14180.0°60.0°
CAZCBACBBH1560.0°60.0°
CAZCBACBBH1660.0°180.0°
CBACAZNAYH270.4°0.0°
OBCCAZCBAH1281.6°120.0°
OBCCAZCBAH1338.4°120.0°
OBCCAZNAYH27179.7°180.0°
H2CAICAJH30.2°0.0°
H4CALCAMH50.4°0.0°
H6CANNAOH25158.2°120.0°
H7CANNAOH2537.5°120.0°
H8CAWCAXH10107.2°60.0°
H8CAWCAXH1112.8°180.0°
H8CAWNAVH26160.2°119.9°
H9CAWCAXH10133.7°179.9°
H9CAWCAXH11106.4°59.9°
H9CAWNAVH2680.7°120.0°
H10CAXNAYH27111.0°120.0°
H11CAXNAYH27129.0°120.0°
H12CBACBBH1460.0°180.0°
H12CBACBBH1560.0°60.0°
H12CBACBBH16180.0°60.0°
H13CBACBBH1460.0°60.0°
H13CBACBBH15NaN°180.0°
H13CBACBBH1660.0°60.0°
H14CBBH15H16120.0°120.0°
H17CBGCBHH180.0°0.1°
H18CBHCBIH190.0°0.0°
H19CBICBJH200.4°0.1°
H21CBNH22H23120.0°120.0°
H21CBNNBMH290.0°120.0°
H22CBNNBMH29119.9°120.0°
H23CBNNBMH29120.0°0.0°

222415

PDB entries from 2024-07-10

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