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590

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OADSBKdoub1.42Å1.44Å
OAESBKdoub1.42Å1.44Å
SBKOAWsing1.52Å1.54Å
SBKNAVsing1.66Å1.52Å
OAWCANsing1.43Å1.43Å
OALCALsing1.43Å1.43Å
NAVCAZsing1.35Å1.33Å
CBECANsing1.53Å1.53Å
CBECALsing1.55Å1.52Å
CBEOAXsing1.44Å1.43Å
CAZOABdoub1.21Å1.22Å
CAZCAJsing1.51Å1.51Å
CALCAMsing1.54Å1.51Å
OAXCBGsing1.44Å1.43Å
CAMCBGsing1.55Å1.53Å
CAJCAHsing1.53Å1.52Å
CBGN9sing1.47Å1.49Å
N5N2doub1.12Å1.16Å
CAHCAIsing1.53Å1.52Å
N9C4sing1.37Å1.34ÅAromatic
N9C8sing1.36Å1.34ÅAromatic
N3C4doub1.33Å1.35ÅAromatic
N3C2sing1.32Å1.34ÅAromatic
C4C5sing1.40Å1.38ÅAromatic
CAICAKsing1.53Å1.52Å
C8N7doub1.30Å1.35ÅAromatic
C2N1doub1.32Å1.34ÅAromatic
C5N7sing1.35Å1.35ÅAromatic
C5C6doub1.40Å1.39ÅAromatic
CAKCBHsing1.53Å1.52Å
N1C6sing1.33Å1.35ÅAromatic
NAUCBIsing1.47Å1.46Å
NAUCBAsing1.34Å1.32Å
C6N6sing1.38Å1.36Å
CBICBHsing1.54Å1.53Å
CBICBFsing1.53Å1.54Å
CBHSAYsing1.84Å1.75Å
OACCBAdoub1.22Å1.22Å
CBANATsing1.34Å1.32Å
CBFNATsing1.47Å1.45Å
CBFCAOsing1.54Å1.53Å
SAYCAOsing1.84Å1.75Å
CBIH1sing1.09Å1.10Å
NAUH2sing0.97Å1.00Å
NATH3sing0.97Å1.00Å
CBFH4sing1.09Å1.10Å
CAOH5sing1.09Å1.10Å
CAOH6sing1.09Å1.10Å
CBHH7sing1.09Å1.10Å
CAKH8sing1.09Å1.10Å
CAKH9sing1.09Å1.10Å
CAIH10sing1.09Å1.10Å
CAIH11sing1.09Å1.10Å
CAHH12sing1.09Å1.10Å
CAHH13sing1.09Å1.10Å
CAJH14sing1.09Å1.10Å
CAJH15sing1.09Å1.10Å
NAVH16sing0.97Å1.00Å
CANH17sing1.09Å1.10Å
CANH18sing1.09Å1.10Å
CBEH19sing1.09Å1.10Å
CALH20sing1.09Å1.10Å
OALH21sing0.97Å0.95Å
CAMH22sing1.09Å1.10Å
CAMN8Qsing1.47Å1.07Å
CBGH24sing1.09Å1.10Å
C8H25sing1.08Å1.08Å
C2H26sing1.08Å1.08Å
N6H27sing0.97Å1.00Å
N6H28sing0.97Å1.00Å
N2N8Qdoub1.12Å2.76Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OADSBKOAE108.8°123.2°
OADSBKOAW108.9°106.4°
OADSBKNAV110.0°106.4°
OAESBKOAW109.2°106.4°
OAESBKNAV109.1°106.4°
OAWSBKNAV110.9°107.2°
SBKOAWCAN121.6°114.0°
SBKNAVCAZ121.4°120.0°
SBKNAVH16119.3°120.0°
OAWCANCBE109.2°109.5°
OAWCANH17109.5°109.5°
OAWCANH18109.5°109.4°
OALCALCBE110.5°110.5°
OALCALCAM110.6°110.5°
OALCALH20111.8°110.5°
CALOALH21109.5°114.0°
NAVCAZOAB123.2°120.1°
NAVCAZCAJ116.8°120.0°
CAZNAVH16119.3°120.0°
CANCBECAL113.9°110.4°
CANCBEOAX111.9°110.4°
CBECANH17109.5°109.5°
CBECANH18109.5°109.5°
CANCBEH19107.8°110.4°
CALCBEOAX106.1°104.8°
CBECALCAM102.7°104.1°
CALCBEH19108.0°110.3°
CBECALH20110.4°110.5°
CBEOAXCBG111.3°105.3°
OAXCBEH19109.1°110.5°
OABCAZCAJ120.0°120.0°
CAZCAJCAH111.5°109.5°
CAZCAJH14108.9°109.4°
CAZCAJH15109.0°109.5°
CALCAMCBG104.0°104.0°
CAMCALH20110.5°110.5°
CALCAMH22106.6°110.5°
CALCAMN8Q112.6°110.5°
OAXCBGCAM105.4°104.8°
OAXCBGN9108.0°110.4°
OAXCBGH24109.7°110.4°
CAMCBGN9116.4°110.3°
CBGCAMH22106.4°110.5°
CBGCAMN8Q112.6°110.5°
CAMCBGH24108.4°110.4°
CAJCAHCAI109.3°109.5°
CAJCAHH12109.5°109.5°
CAJCAHH13109.5°109.5°
CAHCAJH14109.0°109.4°
CAHCAJH15109.0°109.5°
CBGN9C4124.0°126.3°
CBGN9C8128.4°126.3°
N9CBGH24108.8°110.4°
N5N2N8Q5.6°179.9°
CAHCAICAK112.1°109.5°
CAHCAIH10108.8°109.5°
CAHCAIH11108.8°109.4°
CAICAHH12109.5°109.5°
CAICAHH13109.5°109.5°
C4N9C8107.6°107.4°
N9C4N3132.5°134.9°
N9C4C5108.1°106.0°
N9C8N7109.6°110.0°
N9C8H25125.2°125.0°
C4N3C2120.3°120.6°
N3C4C5119.4°119.1°
N3C2N1121.4°122.4°
N3C2H26119.3°118.8°
C4C5N7107.2°107.1°
C4C5C6119.3°118.2°
CAICAKCBH111.0°109.5°
CAICAKH8109.1°109.5°
CAICAKH9109.1°109.5°
CAKCAIH10108.8°109.5°
CAKCAIH11108.8°109.5°
C8N7C5107.5°109.4°
N7C8H25125.2°125.0°
C2N1C6120.7°121.2°
N1C2H26119.3°118.7°
N7C5C6133.5°134.7°
C5C6N1119.0°118.4°
C5C6N6120.9°120.8°
CAKCBHCBI113.8°110.8°
CAKCBHSAY110.0°110.8°
CAKCBHH7110.5°110.8°
CBHCAKH8109.1°109.4°
CBHCAKH9109.1°109.5°
N1C6N6120.1°120.8°
CBINAUCBA112.5°109.1°
NAUCBICBH105.8°109.2°
NAUCBICBF101.8°104.0°
NAUCBIH1113.3°110.6°
CBINAUH2123.7°125.5°
NAUCBAOAC125.0°123.1°
NAUCBANAT110.2°113.9°
CBANAUH2123.7°125.5°
C6N6H27109.5°120.1°
C6N6H28109.4°120.0°
CBHCBICBF111.2°112.4°
CBICBHSAY104.1°102.7°
CBHCBIH1112.2°110.2°
CBICBHH7110.5°110.8°
CBICBFNAT102.8°104.0°
CBICBFCAO111.7°112.4°
CBFCBIH1111.9°110.2°
CBICBFH4112.0°110.3°
CBHSAYCAO98.9°94.8°
SAYCBHH7107.7°110.8°
OACCBANAT124.8°123.0°
CBANATCBF112.2°109.0°
CBANATH3123.9°125.5°
NATCBFCAO104.0°109.2°
CBFNATH3123.9°125.5°
NATCBFH4113.4°110.2°
CBFCAOSAY105.0°102.7°
CAOCBFH4112.3°110.5°
CBFCAOH5110.6°110.7°
CBFCAOH6110.6°110.7°
SAYCAOH5110.6°110.8°
SAYCAOH6110.6°110.9°
H5CAOH6109.5°110.7°
H8CAKH9109.5°109.4°
H10CAIH11109.5°109.5°
H12CAHH13109.4°109.4°
H14CAJH15109.5°109.4°
H17CANH18109.5°109.4°
H22CAMN8Q113.9°110.5°
CAMN8QN2128.3°120.0°
H27N6H28109.5°119.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OADSBKOAEOAW118.8°122.9°
OADSBKOAENAV119.9°123.0°
OADSBKOAWNAV121.1°113.5°
OADSBKOAWCAN156.8°38.6°
OADSBKNAVCAZ56.5°178.6°
OADSBKNAVH16123.5°1.5°
OAESBKOAWNAV120.2°113.5°
OAESBKOAWCAN38.1°171.5°
OAESBKNAVCAZ175.7°48.5°
OAESBKNAVH164.3°131.4°
OAWSBKNAVCAZ64.1°65.1°
SBKOAWCANCBE145.4°180.0°
OAWSBKNAVH16115.9°115.0°
SBKOAWCANH1794.6°59.9°
SBKOAWCANH1825.4°60.0°
NAVSBKOAWCAN82.0°74.9°
SBKNAVCAZH16180.0°179.9°
SBKNAVCAZOAB0.3°0.0°
SBKNAVCAZCAJ179.6°179.9°
OAWCANCBEH17120.0°120.1°
OAWCANCBEH18120.0°120.0°
OAWCANCBECAL179.2°174.9°
OAWCANCBEOAX58.9°69.7°
OAWCANH17H18120.1°120.0°
OAWCANCBEH1961.0°52.7°
OALCALCBECAN90.1°98.5°
OALCALCBECAM118.0°118.7°
OALCALCBEH20124.2°122.7°
OALCALCBEOAX146.4°142.6°
OALCALCAMH20124.3°122.7°
OALCALCAMCBG149.9°118.7°
OALCALCBEH1929.6°23.7°
OALCALCAMH2237.6°0.0°
OALCALCAMN8Q88.0°122.7°
NAVCAZOABCAJ179.9°180.0°
NAVCAZCAJCAH94.7°180.0°
NAVCAZCAJH14145.0°60.0°
NAVCAZCAJH1525.6°60.0°
CANCBECALOAX123.5°118.9°
CANCBECALH19119.7°122.2°
CANCBEOAXH19119.2°122.3°
CANCBECALCAM151.9°142.8°
CANCBEOAXCBG138.4°159.3°
CBECANH17H18120.1°120.0°
CANCBECALH2034.0°24.2°
CALCBEOAXH19116.0°118.8°
CBECALCAMH20117.8°118.6°
CALCBEOAXCBG13.7°40.5°
CBECALCAMCBG32.0°0.0°
CALCBECANH1759.3°65.0°
CALCBECANH1860.8°55.0°
CBECALOALH21180.0°180.0°
CBECALCAMH2280.3°118.7°
CBECALCAMN8Q154.1°118.6°
OAXCBECALCAM28.4°23.9°
CBEOAXCBGCAM6.9°40.5°
CBEOAXCBGN9118.2°159.3°
OAXCBECANH1761.0°50.4°
OAXCBECANH18178.9°170.4°
OAXCBECALH2089.4°94.7°
CBEOAXCBGH24123.4°78.3°
OABCAZCAJCAH85.4°0.1°
OABCAZCAJH1434.9°120.0°
OABCAZCAJH15154.3°120.0°
OABCAZNAVH16179.7°180.0°
CAZCAJCAHH14120.3°119.9°
CAZCAJCAHH15120.3°120.1°
CAZCAJCAHCAI171.1°180.0°
CAZCAJCAHH1268.9°60.0°
CAZCAJCAHH1351.2°59.9°
CAZCAJH14H15119.1°120.0°
CAJCAZNAVH160.4°0.0°
CALCAMCBGOAX24.6°24.0°
CALCAMCBGH22112.4°118.7°
CALCAMCBGN8Q122.2°118.6°
CALCAMCBGN995.1°142.8°
CAMCALCBEH1988.4°95.0°
CAMCALOALH2166.9°65.3°
CALCAMH22N8Q124.8°122.7°
CALCAMCBGH24141.9°94.9°
CALCAMN8QN23.8°66.5°
OAXCBGCAMN9119.6°118.8°
OAXCBGCAMH24117.4°118.9°
OAXCBGN9H24119.0°122.4°
OAXCBGN9C481.2°156.5°
OAXCBGN9C896.9°23.9°
CBGOAXCBEH19102.4°78.3°
OAXCBGCAMH2287.8°142.6°
OAXCBGCAMN8Q146.8°94.7°
CAMCBGN9H24122.8°122.2°
CAMCBGN9C4160.6°88.1°
CAMCBGN9C821.3°91.5°
CBGCAMCALH2085.8°118.6°
CBGCAMH22N8Q124.6°122.7°
CBGCAMN8QN2113.4°178.9°
CAJCAHCAIH12120.0°120.0°
CAJCAHCAIH13120.0°120.0°
CAJCAHCAICAK174.9°NaN°
CAJCAHCAIH1054.5°60.0°
CAJCAHCAIH1164.7°60.0°
CAJCAHH12H13120.1°120.0°
CAHCAJH14H15119.1°120.0°
CBGN9C4C8178.5°179.7°
CBGN9C4N31.1°0.0°
CBGN9C4C5179.4°179.9°
CBGN9C8N7179.6°180.0°
N9CBGCAMH22152.5°98.5°
N9CBGCAMN8Q27.1°24.2°
CBGN9C8H250.5°0.1°
N5N2N8QCAM161.8°12.8°
CAHCAICAKH10120.4°120.0°
CAHCAICAKH11120.4°120.0°
CAHCAICAKCBH169.9°180.0°
CAHCAICAKH869.9°60.0°
CAHCAICAKH949.7°60.0°
CAHCAIH10H11118.8°120.0°
CAICAHH12H13120.1°120.0°
CAICAHCAJH1450.9°60.0°
CAICAHCAJH1568.5°59.9°
N9C4N3C5179.4°179.8°
N9C4N3C2179.7°180.0°
C4N9C8N71.1°0.3°
N9C4C5N70.4°0.4°
N9C4C5C6179.7°179.8°
C4N9CBGH2437.8°34.1°
C4N9C8H25178.9°179.8°
C8N9C4N3179.6°179.8°
C8N9C4C50.9°0.4°
N9C8N7H25180.0°179.9°
N9C8N7C50.9°0.0°
C8N9CBGH24144.0°146.2°
C4N3C2N10.4°0.0°
N3C4C5N7180.0°179.8°
N3C4C5C60.1°0.1°
C4N3C2H26179.6°180.0°
C2N3C4C50.2°0.2°
N3C2N1H26180.0°180.0°
N3C2N1C60.4°0.4°
C4C5N7C80.3°0.2°
C4C5N7C6179.9°179.9°
C4C5C6N10.1°0.6°
C4C5C6N6179.9°179.8°
CAICAKCBHH8120.2°120.0°
CAICAKCBHH9120.2°120.0°
CAICAKCBHCBI77.7°175.0°
CAICAKCBHSAY166.0°71.7°
CAICAKCBHH747.3°51.6°
CAICAKH8H9119.3°120.0°
CAKCAIH10H11118.8°120.0°
CAKCAICAHH1265.1°60.0°
CAKCAICAHH1354.9°60.0°
C8N7C5C6179.6°179.9°
C2N1C6C50.2°0.7°
C2N1C6N6179.8°179.9°
N7C5C6N1180.0°179.3°
N7C5C6N60.0°0.1°
C5N7C8H25179.1°180.0°
C5C6N1N6180.0°179.2°
C5C6N6H27180.0°0.1°
C5C6N6H2860.0°180.0°
CAKCBHCBINAU34.0°28.1°
CAKCBHCBISAY119.7°118.3°
CAKCBHCBIH7124.9°123.4°
CAKCBHCBICBF143.8°143.0°
CAKCBHSAYH7120.4°123.4°
CAKCBHSAYCAO151.4°153.0°
CAKCBHCBIH190.0°93.6°
CBHCAKH8H9119.3°120.0°
CBHCAKCAIH1049.5°60.0°
CBHCAKCAIH1169.7°60.0°
C6N1C2H26179.6°179.5°
N1C6N6H270.0°179.3°
N1C6N6H28120.0°0.8°
CBINAUCBAH2180.0°179.9°
NAUCBICBHCBF109.8°114.9°
NAUCBICBHH1124.1°121.7°
NAUCBICBFH1121.4°118.6°
NAUCBICBHSAY85.7°90.2°
CBINAUCBAOAC175.4°180.0°
CBINAUCBANAT4.4°0.1°
NAUCBICBFNAT6.1°0.0°
NAUCBICBFCAO104.9°118.0°
NAUCBICBFH4128.2°118.2°
NAUCBICBHH7159.0°151.5°
CBANAUCBICBH122.9°120.2°
CBANAUCBICBF6.7°0.1°
NAUCBAOACNAT179.7°179.9°
NAUCBANATCBF0.2°0.0°
CBANAUCBIH1113.7°118.3°
NAUCBANATH3179.8°180.0°
C6N6H27H28120.0°179.9°
CBHCBICBFH1126.3°123.4°
CBICBHSAYH7117.3°118.3°
CBHCBICBFNAT118.4°118.1°
CBHCBICBFCAO7.4°0.0°
CBICBHSAYCAO29.1°34.7°
CBHCBINAUH257.1°59.9°
CBHCBICBFH4119.5°123.8°
CBICBHCAKH842.6°65.0°
CBICBHCAKH9162.1°55.0°
CBFCBICBHSAY24.1°24.7°
CBICBFNATCBA4.2°0.0°
CBICBFNATCAO116.6°120.2°
CBICBFNATH4121.1°118.2°
CBICBFCAOH4126.8°123.7°
CBICBFCAOSAY13.0°24.6°
CBFCBINAUH2173.3°180.0°
CBICBFNATH3175.8°179.9°
CBICBFCAOH5106.3°93.7°
CBICBFCAOH6132.3°143.1°
CBFCBICBHH791.3°93.7°
CBHSAYCAOCBF25.1°34.7°
SAYCBHCBIH1150.3°148.1°
CBHSAYCAOH594.2°83.6°
CBHSAYCAOH6144.3°153.1°
SAYCBHCAKH873.8°48.3°
SAYCBHCAKH945.8°168.3°
OACCBANATCBF179.9°180.0°
OACCBANAUH24.6°0.1°
OACCBANATH30.0°0.1°
CBANATCBFH3180.0°179.9°
CBANATCBFCAO112.4°120.2°
NATCBANAUH2175.6°180.0°
CBANATCBFH4125.3°118.2°
NATCBFCAOH4123.0°121.4°
NATCBFCAOSAY97.2°90.3°
NATCBFCBIH1115.3°118.5°
NATCBFCAOH5143.5°151.4°
NATCBFCAOH622.1°28.2°
CBFCAOSAYH5119.3°118.3°
CBFCAOSAYH6119.3°118.4°
CAOCBFCBIH1133.7°123.5°
CAOCBFNATH367.6°59.9°
CBFCAOH5H6122.0°123.2°
SAYCAOCBFH4139.8°148.3°
SAYCAOH5H6122.1°123.5°
CAOSAYCBHH788.2°83.6°
H1CBINAUH266.2°61.6°
H1CBICBFH46.8°0.4°
H1CBICBHH734.9°29.8°
H3NATCBFH454.7°61.7°
H4CBFCAOH520.5°29.9°
H4CBFCAOH6100.9°93.2°
H7CBHCAKH8167.5°171.7°
H7CBHCAKH973.0°68.4°
H8CAKCAIH10169.7°180.0°
H8CAKCAIH1150.5°60.0°
H9CAKCAIH1070.7°60.1°
H9CAKCAIH11170.1°180.0°
H10CAICAHH12174.5°180.0°
H10CAICAHH1365.5°60.1°
H11CAICAHH1255.3°60.0°
H11CAICAHH13175.3°180.0°
H12CAHCAJH14170.9°179.9°
H12CAHCAJH1551.5°60.1°
H13CAHCAJH1469.1°60.0°
H13CAHCAJH15171.5°180.0°
H17CANCBEH19179.0°172.8°
H18CANCBEH1958.9°67.2°
H19CBECALH20153.7°146.4°
H20CALOALH2156.6°57.4°
H20CALCAMH22161.9°122.7°
H20CALCAMN8Q36.4°0.0°
H22CAMCBGH2429.5°23.7°
H22CAMN8QN2125.3°56.2°
N8QCAMCBGH2495.9°146.5°

224201

PDB entries from 2024-08-28

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