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X9G

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAHCAIdoub1.38Å1.40ÅAromatic
CAHCATsing1.39Å1.39ÅAromatic
CAICBAsing1.39Å1.34ÅAromatic
NARCATsing1.40Å1.36Å
NARC2sing1.39Å1.35Å
CATCAJdoub1.38Å1.42ÅAromatic
CACNBDsing1.46Å1.49Å
N1C2doub1.33Å1.35ÅAromatic
N1C6sing1.32Å1.40ÅAromatic
CBANBDsing1.38Å1.34ÅAromatic
CBACAZdoub1.41Å1.35ÅAromatic
C2N3sing1.32Å1.35ÅAromatic
NBDCAUsing1.37Å1.32ÅAromatic
C6C5doub1.38Å1.39ÅAromatic
CAJCAZsing1.40Å1.35ÅAromatic
CAZCAWsing1.47Å1.34ÅAromatic
N3C4doub1.33Å1.36ÅAromatic
CAUCAWdoub1.34Å1.32ÅAromatic
CAUCABsing1.51Å1.53Å
C5C4sing1.39Å1.40ÅAromatic
CAWCL1sing1.74Å1.72Å
C4NBEsing1.40Å1.35Å
NBECAKsing1.36Å1.34ÅAromatic
NBENAQsing1.40Å1.26ÅAromatic
CAKCAVdoub1.35Å1.33ÅAromatic
NAQCASdoub1.31Å1.33ÅAromatic
CAVCASsing1.40Å1.33ÅAromatic
CAVCALsing1.51Å1.56Å
CASCAAsing1.51Å1.53Å
CALNBCsing1.47Å1.48Å
CANNBCsing1.48Å1.49Å
CANCBBsing1.54Å1.51Å
NBCCAMsing1.48Å1.49Å
OADCBBsing1.43Å1.45Å
CBBCAMsing1.54Å1.54Å
C5H1sing1.08Å1.08Å
C6H2sing1.08Å1.08Å
CAMH3sing1.09Å1.10Å
CAMH4sing1.09Å1.10Å
CBBH5sing1.09Å1.10Å
OADH6sing0.97Å0.95Å
CANH7sing1.09Å1.10Å
CANH8sing1.09Å1.10Å
CALH10sing1.09Å1.10Å
CALH11sing1.09Å1.10Å
CAKH12sing1.08Å1.08Å
CAAH13sing1.09Å1.10Å
CAAH14sing1.09Å1.10Å
CAAH15sing1.09Å1.10Å
NARH16sing0.97Å1.00Å
CAJH17sing1.08Å1.08Å
CABH18sing1.09Å1.10Å
CABH19sing1.09Å1.10Å
CABH20sing1.09Å1.10Å
CACH21sing1.09Å1.10Å
CACH22sing1.09Å1.10Å
CACH23sing1.09Å1.10Å
CAIH24sing1.08Å1.08Å
CAHH25sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAICAHCAT120.2°120.6°
CAHCAICBA121.3°120.0°
CAHCAIH24119.3°120.0°
CAICAHH25119.9°119.7°
CAHCATNAR115.4°119.9°
CAHCATCAJ115.7°120.2°
CATCAHH25119.9°119.7°
CAICBANBD130.9°133.3°
CAICBACAZ119.9°119.5°
CBACAIH24119.3°120.0°
CATNARC2125.4°120.0°
NARCATCAJ128.9°119.9°
CATNARH16117.3°120.0°
NARC2N1117.3°119.2°
NARC2N3124.6°119.2°
C2NARH16117.3°120.0°
CATCAJCAZ121.6°119.6°
CATCAJH17119.2°120.2°
CACNBDCBA125.8°125.1°
CACNBDCAU127.2°125.1°
NBDCACH21109.5°109.5°
NBDCACH22109.5°109.5°
NBDCACH23109.5°109.5°
C2N1C6120.7°120.9°
N1C2N3118.1°121.7°
N1C6C5120.0°119.3°
N1C6H2120.0°120.4°
NBDCBACAZ109.2°107.2°
CBANBDCAU107.1°109.8°
CBACAZCAJ121.3°120.0°
CBACAZCAW105.8°106.1°
C2N3C4124.6°120.6°
NBDCAUCAW108.6°109.9°
NBDCAUCAB124.9°125.0°
C6C5C4118.6°118.5°
C6C5H1120.7°120.7°
C5C6H2120.0°120.4°
CAJCAZCAW132.9°133.9°
CAZCAJH17119.2°120.2°
CAZCAWCAU109.2°107.0°
CAZCAWCL1126.2°126.5°
N3C4C5118.0°119.0°
N3C4NBE120.5°120.5°
CAWCAUCAB126.5°125.1°
CAUCAWCL1124.5°126.5°
CAUCABH18109.5°109.5°
CAUCABH19109.5°109.5°
CAUCABH20109.5°109.5°
C5C4NBE121.4°120.5°
C4C5H1120.7°120.7°
C4NBECAK124.9°126.1°
C4NBENAQ126.6°126.1°
CAKNBENAQ108.4°107.8°
NBECAKCAV108.1°107.6°
NBECAKH12125.9°126.2°
NBENAQCAS109.4°108.2°
CAKCAVCAS106.0°108.0°
CAKCAVCAL125.4°126.0°
CAVCAKH12125.9°126.2°
NAQCASCAV108.0°108.4°
NAQCASCAA124.1°125.8°
CASCAVCAL128.5°126.0°
CAVCASCAA127.9°125.8°
CAVCALNBC116.8°109.4°
CAVCALH10107.6°109.5°
CAVCALH11107.6°109.5°
CASCAAH13109.5°109.4°
CASCAAH14109.5°109.5°
CASCAAH15109.5°109.5°
CALNBCCAN123.0°111.0°
CALNBCCAM117.5°111.1°
NBCCALH10107.6°109.5°
NBCCALH11107.6°109.4°
NBCCANCBB86.4°86.2°
CANNBCCAM91.0°90.6°
NBCCANH7114.9°113.8°
NBCCANH8114.9°113.7°
CANCBBOAD111.5°113.8°
CANCBBCAM88.5°86.3°
CANCBBH5114.1°113.7°
CBBCANH7114.9°113.7°
CBBCANH8114.9°113.9°
NBCCAMCBB85.1°86.3°
NBCCAMH3115.2°113.7°
NBCCAMH4115.2°113.8°
OADCBBCAM111.2°113.7°
OADCBBH5115.1°113.0°
CBBOADH6109.5°114.0°
CBBCAMH3115.1°113.8°
CBBCAMH4115.2°113.8°
CAMCBBH5113.6°113.8°
H3CAMH4109.5°112.9°
H7CANH8109.5°113.0°
H10CALH11109.5°109.5°
H13CAAH14109.5°109.5°
H13CAAH15109.5°109.5°
H14CAAH15109.4°109.4°
H18CABH19109.5°109.5°
H18CABH20109.4°109.4°
H19CABH20109.5°109.5°
H21CACH22109.5°109.5°
H21CACH23109.5°109.4°
H22CACH23109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAICAHCATH25180.0°179.5°
CAHCAICBAH24180.0°179.8°
CAICAHCATNAR179.5°179.7°
CAICAHCATCAJ0.6°0.5°
CAHCAICBANBD179.9°179.7°
CAHCAICBACAZ0.3°0.2°
CATCAHCAICBA0.6°0.5°
CAHCATNARCAJ178.8°179.8°
CAHCATNARC2170.9°33.9°
CAHCATCAJCAZ0.3°0.2°
CAHCATNARH169.1°146.0°
CAHCATCAJH17179.7°179.8°
CATCAHCAIH24179.4°179.7°
CAICBANBDCAC0.3°0.0°
CAICBANBDCAZ179.8°179.9°
CAICBANBDCAU180.0°180.0°
CAICBACAZCAJ0.0°0.1°
CAICBACAZCAW180.0°180.0°
CBACAICAHH25179.4°180.0°
CATNARC2H16180.0°179.9°
CATNARC2N1169.3°5.6°
CATNARC2N311.3°174.7°
NARCATCAJCAZ179.0°180.0°
NARCATCAJH171.0°0.1°
NARCATCAHH250.5°0.3°
C2NARCATCAJ10.3°146.3°
NARC2N1N3179.5°179.8°
NARC2N1C6179.9°180.0°
NARC2N3C4178.8°179.7°
CATCAJCAZCBA0.0°0.1°
CATCAJCAZH17180.0°179.9°
CATCAJCAZCAW179.9°180.0°
CAJCATNARH16169.7°33.8°
CAJCATCAHH25179.5°179.9°
CACNBDCBACAU179.6°180.0°
CACNBDCBACAZ179.5°180.0°
CACNBDCAUCAW179.5°180.0°
CACNBDCAUCAB0.3°0.1°
NBDCACH21H22120.0°120.0°
NBDCACH21H23120.0°120.0°
NBDCACH22H23120.0°120.0°
C2N1C6C50.6°0.0°
N1C2N3C40.6°0.5°
C2N1C6H2179.4°180.0°
N1C2NARH1610.7°174.5°
C6N1C2N30.5°0.2°
N1C6C5H2180.0°180.0°
N1C6C5C40.4°0.0°
N1C6C5H1179.6°180.0°
NBDCBACAZCAJ179.8°180.0°
NBDCBACAZCAW0.1°0.1°
CBANBDCAUCAW0.1°0.0°
CBANBDCAUCAB179.9°180.0°
CBANBDCACH21180.0°90.0°
CBANBDCACH2260.0°30.0°
CBANBDCACH2360.0°150.0°
NBDCBACAIH240.1°0.1°
CAZCBANBDCAU0.1°0.1°
CBACAZCAJCAW179.9°179.9°
CBACAZCAWCAU0.0°0.0°
CBACAZCAWCL1179.7°180.0°
CBACAZCAJH17180.0°180.0°
CAZCBACAIH24179.7°180.0°
C2N3C4C51.5°0.5°
C2N3C4NBE178.2°179.8°
N3C2NARH16168.7°5.3°
NBDCAUCAWCAZ0.1°0.0°
NBDCAUCAWCAB179.8°179.9°
NBDCAUCAWCL1179.8°179.9°
NBDCAUCABH1889.9°90.0°
NBDCAUCABH19150.1°30.1°
NBDCAUCABH2030.1°150.0°
CAUNBDCACH210.4°90.0°
CAUNBDCACH22120.4°150.0°
CAUNBDCACH23119.6°30.0°
C6C5C4N31.4°0.2°
C6C5C4H1180.0°180.0°
C6C5C4NBE178.0°180.0°
CAJCAZCAWCAU179.9°179.9°
CAJCAZCAWCL10.4°0.1°
CAZCAWCAUCL1179.8°179.9°
CAZCAWCAUCAB179.8°179.9°
CAWCAZCAJH170.1°0.1°
N3C4C5NBE176.7°179.7°
N3C4NBECAK11.7°0.2°
N3C4NBENAQ171.3°179.4°
N3C4C5H1178.6°179.8°
CAWCAUCABH1889.9°90.0°
CAWCAUCABH1930.1°150.0°
CAWCAUCABH20150.2°30.0°
CABCAUCAWCL10.4°0.0°
CAUCABH18H19120.0°120.0°
CAUCABH18H20120.0°120.0°
CAUCABH19H20120.0°120.0°
C5C4NBECAK164.9°180.0°
C5C4NBENAQ12.1°0.3°
C4C5C6H2179.6°180.0°
C4NBECAKNAQ177.5°179.7°
C4NBECAKCAV177.3°180.0°
C4NBENAQCAS178.3°179.9°
NBEC4C5H12.0°0.0°
C4NBECAKH122.8°0.0°
NBECAKCAVH12180.0°180.0°
CAKNBENAQCAS0.8°0.4°
NBECAKCAVCAS1.2°0.0°
NBECAKCAVCAL177.6°179.7°
NAQNBECAKCAV0.3°0.3°
NBENAQCASCAV1.6°0.4°
NBENAQCASCAA178.9°179.6°
NAQNBECAKH12179.7°179.7°
CAKCAVCASNAQ1.7°0.2°
CAKCAVCASCAL176.3°179.7°
CAKCAVCASCAA178.8°179.8°
CAKCAVCALNBC51.3°99.7°
CAKCAVCALH10172.4°140.3°
CAKCAVCALH1169.8°20.3°
NAQCASCAVCAA179.5°180.0°
NAQCASCAVCAL177.9°180.0°
NAQCASCAAH130.0°90.0°
NAQCASCAAH14120.0°30.0°
NAQCASCAAH15120.0°150.0°
CASCAVCALNBC133.1°80.0°
CASCAVCALH1012.0°40.0°
CASCAVCALH11105.9°160.0°
CASCAVCAKH12178.8°180.0°
CAVCASCAAH13179.4°90.0°
CAVCASCAAH1460.5°150.0°
CAVCASCAAH1559.4°30.0°
CALCAVCASCAA2.6°0.0°
CAVCALNBCH10121.1°120.0°
CAVCALNBCH11121.0°120.0°
CAVCALNBCCAN2.3°170.0°
CAVCALNBCCAM113.5°90.7°
CAVCALH10H11116.6°120.1°
CALCAVCAKH122.4°0.3°
CASCAAH13H14120.0°120.0°
CASCAAH13H15120.0°120.0°
CASCAAH14H15120.0°120.0°
CALNBCCANCAM124.2°113.0°
CALNBCCANCBB147.1°137.6°
CALNBCCAMCBB151.0°137.4°
CALNBCCAMH335.5°108.2°
CALNBCCAMH493.4°23.0°
CALNBCCANH797.1°23.3°
CALNBCCANH831.2°108.0°
NBCCALH10H11116.7°120.0°
NBCCANCBBH7115.8°114.4°
NBCCANCBBH8115.8°114.3°
NBCCANCBBOAD90.1°90.7°
NBCCANCBBCAM22.2°23.7°
CANNBCCAMH393.1°139.0°
CANNBCCAMH4138.0°89.8°
NBCCANCBBH5137.5°138.0°
NBCCANH7H8131.0°131.6°
CANNBCCALH10118.8°70.0°
CANNBCCALH11123.4°50.0°
CANCBBOADCAM97.1°96.8°
CANCBBOADH5131.9°131.6°
CANCBBCAMH5115.8°114.3°
CANCBBCAMH393.5°138.0°
CANCBBCAMH4137.7°90.7°
CANCBBOADH6180.0°83.3°
CBBCANH7H8131.0°131.8°
NBCCAMCBBOAD90.4°90.7°
NBCCAMCBBH3115.6°114.4°
NBCCAMCBBH4115.5°114.4°
NBCCAMH3H4131.7°131.6°
NBCCAMCBBH5137.9°138.0°
CAMNBCCANH7138.7°89.7°
CAMNBCCANH893.0°139.1°
CAMNBCCALH107.6°29.3°
CAMNBCCALH11125.4°149.3°
OADCBBCAMH5131.7°131.3°
OADCBBCAMH3154.0°23.6°
OADCBBCAMH425.2°154.9°
OADCBBCANH725.7°154.9°
OADCBBCANH8154.1°23.6°
CBBCAMH3H4131.6°131.7°
CAMCBBOADH682.9°180.0°
CAMCBBCANH7138.0°90.7°
CAMCBBCANH893.6°137.9°
H1C5C6H20.4°0.0°
H3CAMCBBH522.3°107.6°
H4CAMCBBH5106.6°23.6°
H5CBBOADH648.1°48.3°
H5CBBCANH7106.7°23.7°
H5CBBCANH821.7°107.7°
H13CAAH14H15120.0°120.1°
H18CABH19H20120.0°120.0°
H21CACH22H23120.0°119.9°
H24CAICAHH250.6°0.3°

225946

PDB entries from 2024-10-09

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