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44J

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OADSBKdoub1.42Å1.44Å
OAESBKdoub1.42Å1.44Å
SBKNAWsing1.66Å1.61Å
SBKNAVsing1.66Å1.60Å
NAWCANsing1.46Å1.48Å
NAVCAZsing1.35Å1.33Å
CANCBEsing1.53Å1.53Å
CBECALsing1.54Å1.52Å
CBECAXsing1.55Å1.53Å
CAZOABdoub1.21Å1.22Å
CAZCAJsing1.51Å1.51Å
CALCAMsing1.54Å1.52Å
CALOALsing1.43Å1.43Å
CAXCBGsing1.55Å1.53Å
CAMCBGsing1.54Å1.53Å
CAMOAMsing1.43Å1.43Å
CAJCAHsing1.53Å1.52Å
CBGN9sing1.47Å1.49Å
CAHCAIsing1.53Å1.53Å
N9C4sing1.37Å1.33ÅAromatic
N9C8sing1.36Å1.34ÅAromatic
N3C4doub1.33Å1.35ÅAromatic
N3C2sing1.32Å1.34ÅAromatic
CAICAKsing1.53Å1.53Å
C4C5sing1.41Å1.38ÅAromatic
C8N7doub1.30Å1.35ÅAromatic
C2N1doub1.32Å1.34ÅAromatic
C5N7sing1.35Å1.35ÅAromatic
C5C6doub1.41Å1.39ÅAromatic
CAKCBHsing1.53Å1.53Å
N1C6sing1.33Å1.35ÅAromatic
NAUCBIsing1.47Å1.45Å
NAUCBAsing1.34Å1.33Å
CBICBHsing1.54Å1.53Å
CBICBFsing1.53Å1.53Å
C6N6sing1.38Å1.35Å
CBHSAYsing1.85Å1.76Å
CBAOACdoub1.22Å1.22Å
CBANATsing1.34Å1.33Å
CBFNATsing1.47Å1.45Å
CBFCAOsing1.54Å1.53Å
SAYCAOsing1.84Å1.75Å
CAOH1sing1.09Å1.10Å
CAOH2sing1.09Å1.10Å
CBFH3sing1.09Å1.10Å
CBEH4sing1.09Å1.10Å
CAMH5sing1.09Å1.10Å
CAKH6sing1.09Å1.10Å
CAKH7sing1.09Å1.10Å
CAXH8sing1.09Å1.10Å
CAXH9sing1.09Å1.10Å
CALH10sing1.09Å1.10Å
CANH11sing1.09Å1.10Å
CANH12sing1.09Å1.10Å
CBIH13sing1.09Å1.10Å
NAUH14sing0.97Å1.00Å
NATH15sing0.97Å1.00Å
CBHH16sing1.09Å1.10Å
CAIH17sing1.09Å1.10Å
CAIH18sing1.09Å1.10Å
CAHH19sing1.09Å1.10Å
CAHH20sing1.09Å1.10Å
CAJH21sing1.09Å1.10Å
CAJH22sing1.09Å1.10Å
NAVH23sing0.97Å1.00Å
NAWH24sing0.97Å1.00Å
OALH25sing0.97Å0.95Å
OAMH26sing0.97Å0.95Å
CBGH27sing1.09Å1.10Å
C8H28sing1.08Å1.08Å
C2H29sing1.08Å1.08Å
N6H30sing0.97Å1.00Å
N6H31sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OADSBKOAE109.2°123.2°
OADSBKNAW110.0°106.4°
OADSBKNAV109.2°106.4°
OAESBKNAW107.9°106.4°
OAESBKNAV109.7°106.4°
NAWSBKNAV110.8°107.2°
SBKNAWCAN113.2°120.0°
SBKNAWH24108.5°120.0°
SBKNAVCAZ120.9°120.0°
SBKNAVH23119.6°120.0°
NAWCANCBE107.3°109.4°
NAWCANH11110.0°109.5°
NAWCANH12110.0°109.5°
CANNAWH24108.5°120.0°
NAVCAZOAB122.8°120.0°
NAVCAZCAJ116.8°120.0°
CAZNAVH23119.6°119.9°
CANCBECAL115.4°110.5°
CANCBECAX112.6°110.5°
CANCBEH4107.8°110.5°
CBECANH11110.0°109.4°
CBECANH12110.0°109.5°
CALCBECAX105.1°104.2°
CBECALCAM102.5°106.6°
CBECALOAL110.3°110.1°
CALCBEH4107.9°110.5°
CBECALH10110.9°110.0°
CBECAXCBG106.4°102.8°
CAXCBEH4107.8°110.5°
CBECAXH8110.2°110.8°
CBECAXH9110.2°110.8°
OABCAZCAJ120.4°120.0°
CAZCAJCAH110.0°109.5°
CAZCAJH21109.3°109.4°
CAZCAJH22109.3°109.5°
CAMCALOAL109.4°110.0°
CALCAMCBG105.5°106.6°
CALCAMOAM112.3°110.0°
CALCAMH5107.7°110.1°
CAMCALH10110.9°110.0°
OALCALH10112.3°110.0°
CALOALH25109.5°114.0°
CAXCBGCAM105.5°104.2°
CAXCBGN9107.6°110.5°
CBGCAXH8110.3°110.8°
CBGCAXH9110.2°110.8°
CAXCBGH27108.9°110.5°
CBGCAMOAM114.6°110.0°
CAMCBGN9116.3°110.5°
CBGCAMH5107.6°110.0°
CAMCBGH27108.9°110.5°
OAMCAMH5108.9°110.1°
CAMOAMH26109.5°114.0°
CAJCAHCAI111.9°109.4°
CAJCAHH19108.9°109.5°
CAJCAHH20108.9°109.4°
CAHCAJH21109.3°109.5°
CAHCAJH22109.3°109.5°
CBGN9C4123.1°126.3°
CBGN9C8129.2°126.3°
N9CBGH27109.5°110.6°
CAHCAICAK111.4°109.5°
CAHCAIH17109.0°109.5°
CAHCAIH18109.0°109.5°
CAICAHH19108.9°109.5°
CAICAHH20108.9°109.5°
C4N9C8107.6°107.5°
N9C4N3132.0°134.9°
N9C4C5108.3°106.0°
N9C8N7109.5°110.0°
N9C8H28125.3°125.0°
C4N3C2120.2°120.7°
N3C4C5119.7°119.0°
N3C2N1121.3°122.5°
N3C2H29119.4°118.7°
CAICAKCBH110.3°109.5°
CAICAKH6109.3°109.5°
CAICAKH7109.3°109.5°
CAKCAIH17109.0°109.5°
CAKCAIH18109.0°109.5°
C4C5N7107.3°107.1°
C4C5C6118.9°118.2°
C8N7C5107.3°109.5°
N7C8H28125.3°125.0°
C2N1C6120.8°121.2°
N1C2H29119.4°118.8°
N7C5C6133.8°134.7°
C5C6N1119.1°118.4°
C5C6N6120.9°120.8°
CAKCBHCBI113.9°110.8°
CAKCBHSAY113.9°110.7°
CBHCAKH6109.3°109.5°
CBHCAKH7109.3°109.4°
CAKCBHH16109.1°110.6°
N1C6N6120.0°120.8°
CBINAUCBA111.8°109.0°
NAUCBICBH112.4°109.2°
NAUCBICBF102.7°104.0°
NAUCBIH13111.3°110.5°
CBINAUH14124.1°125.5°
NAUCBAOAC125.2°123.0°
NAUCBANAT110.5°113.9°
CBANAUH14124.1°125.5°
CBHCBICBF109.9°112.4°
CBICBHSAY103.8°102.8°
CBHCBIH13110.2°110.2°
CBICBHH16109.2°110.8°
CBICBFNAT103.2°104.0°
CBICBFCAO111.3°112.4°
CBICBFH3110.5°110.5°
CBFCBIH13110.2°110.3°
C6N6H30109.5°120.0°
C6N6H31109.4°120.0°
CBHSAYCAO95.7°94.6°
SAYCBHH16106.5°110.9°
OACCBANAT124.3°123.1°
CBANATCBF111.5°109.1°
CBANATH15124.2°125.4°
NATCBFCAO109.2°109.2°
NATCBFH3111.8°110.3°
CBFNATH15124.2°125.5°
CBFCAOSAY104.6°102.9°
CBFCAOH1110.7°110.8°
CBFCAOH2110.7°110.8°
CAOCBFH3110.6°110.3°
SAYCAOH1110.6°110.8°
SAYCAOH2110.6°110.7°
H1CAOH2109.5°110.7°
H6CAKH7109.4°109.5°
H8CAXH9109.5°110.8°
H11CANH12109.5°109.5°
H17CAIH18109.4°109.5°
H19CAHH20109.4°109.4°
H21CAJH22109.5°109.5°
H30N6H31109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OADSBKOAENAW119.6°122.9°
OADSBKOAENAV119.6°123.0°
OADSBKNAWNAV120.8°113.6°
OADSBKNAWCAN56.2°48.5°
OADSBKNAVCAZ172.5°178.5°
OADSBKNAVH237.5°1.5°
OADSBKNAWH2464.3°131.4°
OAESBKNAWNAV120.2°113.5°
OAESBKNAWCAN175.3°178.5°
OAESBKNAVCAZ52.9°48.5°
OAESBKNAVH23127.1°131.5°
OAESBKNAWH2454.7°1.5°
SBKNAWCANH24120.6°180.0°
NAWSBKNAVCAZ66.2°65.0°
SBKNAWCANCBE165.2°165.0°
SBKNAWCANH1175.1°45.0°
SBKNAWCANH1245.6°75.0°
NAWSBKNAVH23113.8°115.0°
NAVSBKNAWCAN64.5°65.0°
SBKNAVCAZH23180.0°180.0°
SBKNAVCAZOAB12.1°0.0°
SBKNAVCAZCAJ168.1°180.0°
NAVSBKNAWH24174.9°115.0°
NAWCANCBEH11119.6°120.0°
NAWCANCBEH12119.6°120.0°
NAWCANCBECAL175.3°66.5°
NAWCANCBECAX64.1°178.8°
NAWCANCBEH454.6°56.2°
NAWCANH11H12121.0°120.0°
NAVCAZOABCAJ179.9°180.0°
NAVCAZCAJCAH110.9°180.0°
NAVCAZCAJH21129.0°60.0°
NAVCAZCAJH229.2°60.0°
CANCBECALCAX124.6°118.7°
CANCBECALH4120.6°122.7°
CANCBECAXH4118.8°122.6°
CANCBECALCAM162.1°142.3°
CANCBECALOAL45.7°23.0°
CANCBECAXCBG150.0°156.6°
CANCBECAXH890.5°85.0°
CANCBECAXH930.5°38.3°
CANCBECALH1079.5°98.4°
CBECANH11H12121.0°120.0°
CBECANNAWH2444.6°15.0°
CALCBECAXH4114.9°118.7°
CBECALCAMOAL117.1°119.3°
CBECALCAMH10118.4°119.3°
CBECALOALH10124.4°121.4°
CALCBECAXCBG23.6°38.0°
CBECALCAMCBG37.5°0.0°
CBECALCAMOAM162.9°119.3°
CBECALCAMH577.2°119.3°
CALCBECAXH8143.1°156.3°
CALCBECAXH995.9°80.4°
CALCBECANH1165.1°53.5°
CALCBECANH1255.7°173.5°
CBECALOALH25180.0°180.0°
CAXCBECALCAM37.5°23.6°
CAXCBECALOAL78.9°95.7°
CBECAXCBGH8119.5°118.3°
CBECAXCBGH9119.5°118.4°
CBECAXCBGCAM0.3°37.9°
CBECAXCBGN9125.0°156.6°
CBECAXH8H9121.4°123.3°
CAXCBECALH10155.9°142.9°
CAXCBECANH1155.5°61.3°
CAXCBECANH12176.2°58.8°
CBECAXCBGH27116.4°80.7°
OABCAZCAJCAH69.0°0.0°
OABCAZCAJH2151.1°120.0°
OABCAZCAJH22171.0°120.0°
OABCAZNAVH23167.9°180.0°
CAZCAJCAHH21120.1°119.9°
CAZCAJCAHH22120.1°120.0°
CAZCAJCAHCAI170.9°180.0°
CAZCAJCAHH1968.7°59.9°
CAZCAJCAHH2050.5°60.0°
CAZCAJH21H22119.8°120.0°
CAJCAZNAVH2311.9°0.0°
CAMCALOALH10123.6°121.4°
CALCAMCBGCAX23.1°23.6°
CALCAMCBGOAM124.0°119.2°
CALCAMCBGH5114.8°119.3°
CALCAMOAMH5119.2°121.5°
CALCAMCBGN996.0°142.3°
CAMCALCBEH477.3°95.0°
CAMCALOALH2568.0°62.8°
CALCAMOAMH26180.0°62.9°
CALCAMCBGH27139.8°95.1°
OALCALCAMCBG79.6°119.3°
OALCALCAMOAM45.8°0.1°
OALCALCBEH4166.3°145.6°
OALCALCAMH5165.7°121.4°
CAXCBGCAMN9119.1°118.7°
CAXCBGCAMH27116.7°118.6°
CAXCBGCAMOAM147.1°95.7°
CAXCBGN9H27118.2°122.6°
CAXCBGN9C475.0°123.8°
CAXCBGN9C8103.0°56.6°
CBGCAXCBEH491.3°80.8°
CAXCBGCAMH591.7°142.9°
CBGCAXH8H9121.4°123.3°
CBGCAMOAMH5120.5°121.4°
CAMCBGN9H27123.9°122.6°
CAMCBGN9C4167.1°121.4°
CAMCBGN9C814.9°58.2°
CAMCBGCAXH8119.9°156.3°
CAMCBGCAXH9119.2°80.4°
CBGCAMCALH10155.9°119.3°
CBGCAMOAMH2659.8°180.0°
OAMCAMCBGN928.0°23.0°
OAMCAMCALH1078.7°121.4°
OAMCAMCBGH2796.2°145.7°
CAJCAHCAIH19120.4°120.1°
CAJCAHCAIH20120.4°119.9°
CAJCAHCAICAK178.2°180.0°
CAJCAHCAIH1761.4°60.0°
CAJCAHCAIH1857.9°60.1°
CAJCAHH19H20118.9°120.0°
CAHCAJH21H22119.8°120.1°
CBGN9C4C8178.4°179.7°
CBGN9C4N31.5°0.0°
CBGN9C4C5179.2°179.9°
CBGN9C8N7179.2°180.0°
N9CBGCAMH5149.2°98.4°
N9CBGCAXH8115.4°85.0°
N9CBGCAXH95.5°38.3°
CBGN9C8H280.8°0.1°
CAHCAICAKH17120.3°120.0°
CAHCAICAKH18120.3°120.0°
CAHCAICAKCBH170.8°180.0°
CAHCAICAKH669.1°60.0°
CAHCAICAKH750.7°60.0°
CAHCAIH17H18119.1°120.0°
CAICAHH19H20118.9°120.0°
CAICAHCAJH2150.9°60.1°
CAICAHCAJH2269.0°60.0°
N9C4N3C5179.3°179.9°
N9C4N3C2179.7°180.0°
C4N9C8N70.9°0.2°
N9C4C5N70.4°0.4°
N9C4C5C6179.6°179.8°
C4N9CBGH2743.2°1.2°
C4N9C8H28179.1°179.8°
C8N9C4N3179.9°179.8°
C8N9C4C50.8°0.4°
N9C8N7H28180.0°179.9°
N9C8N7C50.7°0.0°
C8N9CBGH27138.8°179.1°
C4N3C2N10.5°0.1°
N3C4C5N7179.8°179.7°
N3C4C5C60.1°0.1°
C4N3C2H29179.5°180.0°
C2N3C4C50.4°0.1°
N3C2N1H29180.0°180.0°
N3C2N1C60.3°0.5°
CAICAKCBHH6120.1°120.0°
CAICAKCBHH7120.2°120.0°
CAICAKCBHCBI69.3°175.0°
CAICAKCBHSAY171.9°71.7°
CAICAKH6H7119.6°120.0°
CAICAKCBHH1653.0°51.7°
CAKCAIH17H18119.1°120.0°
CAKCAICAHH1957.9°59.9°
CAKCAICAHH2061.4°60.0°
C4C5N7C80.2°0.2°
C4C5N7C6179.9°179.8°
C4C5C6N10.0°0.6°
C4C5C6N6179.8°179.8°
C8N7C5C6179.9°179.9°
C2N1C6C50.1°0.8°
C2N1C6N6179.8°180.0°
N7C5C6N1179.9°179.2°
N7C5C6N60.3°0.0°
C5N7C8H28179.3°179.9°
C5C6N1N6179.8°179.2°
C5C6N6H30179.8°0.0°
C5C6N6H3159.8°180.0°
CAKCBHCBINAU39.0°28.0°
CAKCBHCBISAY124.4°118.3°
CAKCBHCBIH16122.3°123.2°
CAKCBHCBICBF152.7°142.9°
CAKCBHSAYH16120.3°123.3°
CAKCBHSAYCAO160.6°153.0°
CBHCAKH6H7119.6°120.0°
CAKCBHCBIH1385.8°93.6°
CBHCAKCAIH1750.5°60.0°
CBHCAKCAIH1868.9°60.0°
C6N1C2H29179.7°179.5°
N1C6N6H300.0°179.2°
N1C6N6H31120.0°0.8°
CBINAUCBAH14180.0°180.0°
NAUCBICBHCBF113.7°114.9°
NAUCBICBHH13124.8°121.6°
NAUCBICBFH13118.7°118.6°
NAUCBICBHSAY85.4°90.2°
CBINAUCBAOAC176.7°180.0°
CBINAUCBANAT2.3°0.0°
NAUCBICBFNAT3.2°0.0°
NAUCBICBFCAO113.9°118.0°
NAUCBICBFH3122.8°118.3°
NAUCBICBHH16161.3°151.2°
CBANAUCBICBH118.8°120.2°
CBANAUCBICBF0.8°0.0°
NAUCBAOACNAT178.8°180.0°
NAUCBANATCBF4.6°0.0°
CBANAUCBIH13117.1°118.4°
NAUCBANATH15175.5°180.0°
CBHCBICBFH13121.6°123.4°
CBICBHSAYH16115.2°118.4°
CBHCBICBFNAT122.9°118.0°
CBHCBICBFCAO5.8°0.0°
CBICBHSAYCAO36.1°34.7°
CBHCBICBFH3117.4°123.7°
CBICBHCAKH650.9°65.0°
CBICBHCAKH7170.6°55.0°
CBHCBINAUH1461.2°59.9°
CBFCBICBHSAY28.3°24.6°
CBICBFNATCBA4.8°0.0°
CBICBFNATCAO118.6°120.2°
CBICBFNATH3118.8°118.5°
CBICBFCAOH3123.2°123.8°
CBICBFCAOSAY19.5°24.8°
CBICBFCAOH199.7°93.7°
CBICBFCAOH2138.7°143.1°
CBFCBINAUH14179.2°180.0°
CBICBFNATH15175.3°180.0°
CBFCBICBHH1685.0°93.9°
C6N6H30H31120.0°180.0°
CBHSAYCAOCBF32.8°34.7°
CBHSAYCAOH186.5°83.7°
CBHSAYCAOH2152.0°153.1°
SAYCBHCAKH668.0°48.3°
SAYCBHCAKH751.7°168.3°
SAYCBHCBIH13149.8°148.1°
OACCBANATCBF174.4°180.0°
OACCBANAUH143.3°0.0°
OACCBANATH155.6°0.1°
CBANATCBFH15180.0°179.9°
CBANATCBFCAO113.8°120.2°
CBANATCBFH3123.5°118.5°
NATCBANAUH14177.7°180.0°
NATCBFCAOH3123.4°121.4°
NATCBFCAOSAY93.8°90.1°
NATCBFCAOH1146.9°151.5°
NATCBFCAOH225.4°28.2°
NATCBFCBIH13115.5°118.6°
CBFCAOSAYH1119.2°118.4°
CBFCAOSAYH2119.2°118.4°
CBFCAOH1H2122.3°123.3°
CAOCBFCBIH13127.4°123.4°
CAOCBFNATH1566.2°59.9°
SAYCAOH1H2122.2°123.2°
SAYCAOCBFH3142.8°148.5°
CAOSAYCBHH1679.1°83.7°
H1CAOCBFH323.6°30.1°
H2CAOCBFH398.0°93.1°
H3CBFCBIH134.1°0.2°
H3CBFNATH1556.5°61.5°
H4CBECAXH828.3°37.6°
H4CBECAXH9149.2°160.9°
H4CBECALH1041.1°24.2°
H4CBECANH11174.3°176.2°
H4CBECANH1265.0°63.8°
H5CAMCALH1041.2°0.0°
H5CAMOAMH2660.7°58.6°
H5CAMCBGH2725.0°24.3°
H6CAKCBHH16173.2°171.7°
H6CAKCAIH17170.6°180.0°
H6CAKCAIH1851.2°60.0°
H7CAKCBHH1667.1°68.3°
H7CAKCAIH1769.7°59.9°
H7CAKCAIH18171.0°180.0°
H8CAXCBGH273.1°37.6°
H9CAXCBGH27124.1°160.9°
H10CALOALH2555.6°58.6°
H11CANNAWH24164.3°134.9°
H12CANNAWH2475.0°105.0°
H13CBINAUH1462.9°61.6°
H13CBICBHH1636.5°29.6°
H17CAICAHH19178.2°179.9°
H17CAICAHH2058.9°59.9°
H18CAICAHH1962.4°60.0°
H18CAICAHH20178.3°180.0°
H19CAHCAJH21171.3°60.0°
H19CAHCAJH2251.4°179.9°
H20CAHCAJH2169.5°180.0°
H20CAHCAJH22170.6°59.9°

224201

PDB entries from 2024-08-28

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