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44M

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAESBKdoub1.42Å1.43Å
OADSBKdoub1.42Å1.44Å
N2N5doub1.12Å1.16Å
SBKNAWsing1.66Å1.61Å
SBKNAVsing1.66Å1.52Å
N5N8Qdoub1.12Å1.38Å
OALCALsing1.43Å1.43Å
NAWCANsing1.47Å1.47Å
NAVCAZsing1.35Å1.33Å
CANCBEsing1.53Å1.53Å
CBECALsing1.54Å1.52Å
CBEOAXsing1.44Å1.43Å
N8QCAMsing1.47Å1.45Å
CALCAMsing1.54Å1.51Å
CAZOABdoub1.21Å1.22Å
CAZCAJsing1.51Å1.51Å
OAXCBGsing1.44Å1.43Å
CAMCBGsing1.54Å1.52Å
CAJCAHsing1.53Å1.52Å
CBGN9sing1.47Å1.48Å
CAHCAIsing1.53Å1.53Å
N9C4sing1.37Å1.33ÅAromatic
N9C8sing1.36Å1.34ÅAromatic
N3C4doub1.33Å1.35ÅAromatic
N3C2sing1.32Å1.34ÅAromatic
C4C5sing1.41Å1.38ÅAromatic
CAICAKsing1.53Å1.52Å
C8N7doub1.30Å1.35ÅAromatic
C2N1doub1.32Å1.34ÅAromatic
C5N7sing1.36Å1.35ÅAromatic
C5C6doub1.40Å1.39ÅAromatic
CAKCBHsing1.53Å1.53Å
N1C6sing1.33Å1.35ÅAromatic
NAUCBIsing1.47Å1.46Å
NAUCBAsing1.34Å1.32Å
C6N6sing1.38Å1.36Å
CBICBHsing1.54Å1.53Å
CBICBFsing1.53Å1.54Å
CBHSAYsing1.84Å1.76Å
OACCBAdoub1.22Å1.22Å
CBANATsing1.34Å1.32Å
CBFNATsing1.47Å1.45Å
CBFCAOsing1.54Å1.53Å
SAYCAOsing1.84Å1.75Å
CBIH2sing1.09Å1.10Å
NAUH3sing0.97Å1.00Å
NATH4sing0.97Å1.00Å
CBFH5sing1.09Å1.10Å
CAOH6sing1.09Å1.10Å
CAOH7sing1.09Å1.10Å
CBHH8sing1.09Å1.10Å
CAKH9sing1.09Å1.10Å
CAKH10sing1.09Å1.10Å
CAIH11sing1.09Å1.10Å
CAIH12sing1.09Å1.10Å
CAHH13sing1.09Å1.10Å
CAHH14sing1.09Å1.10Å
CAJH15sing1.09Å1.10Å
CAJH16sing1.09Å1.10Å
NAVH17sing0.97Å1.00Å
NAWH18sing0.97Å1.00Å
CANH19sing1.09Å1.10Å
CANH20sing1.09Å1.10Å
CBEH21sing1.09Å1.10Å
CALH22sing1.09Å1.10Å
OALH23sing0.97Å0.95Å
CAMH24sing1.09Å1.10Å
CBGH25sing1.09Å1.10Å
C8H26sing1.08Å1.08Å
C2H27sing1.08Å1.08Å
N6H28sing0.97Å1.00Å
N6H29sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAESBKOAD109.0°123.1°
OAESBKNAW110.0°106.4°
OAESBKNAV109.1°106.4°
OADSBKNAW108.4°106.4°
OADSBKNAV109.5°106.4°
N2N5N8Q179.3°180.0°
NAWSBKNAV111.0°107.2°
SBKNAWCAN111.7°120.0°
SBKNAWH18108.9°120.0°
SBKNAVCAZ120.7°120.0°
SBKNAVH17119.7°120.0°
N5N8QCAM119.9°120.0°
OALCALCBE110.7°110.5°
OALCALCAM110.4°110.5°
OALCALH22111.5°110.5°
CALOALH23109.5°114.0°
NAWCANCBE107.6°109.5°
CANNAWH18108.9°120.0°
NAWCANH19110.0°109.5°
NAWCANH20110.0°109.4°
NAVCAZOAB122.7°120.0°
NAVCAZCAJ116.6°120.0°
CAZNAVH17119.6°120.0°
CANCBECAL114.2°110.4°
CANCBEOAX110.8°110.3°
CBECANH19109.9°109.5°
CBECANH20109.9°109.5°
CANCBEH21108.2°110.3°
CALCBEOAX105.8°104.8°
CBECALCAM103.6°104.0°
CALCBEH21108.3°110.4°
CBECALH22110.2°110.6°
CBEOAXCBG110.7°105.2°
OAXCBEH21109.4°110.4°
N8QCAMCAL110.9°110.6°
N8QCAMCBG110.0°110.5°
N8QCAMH24110.8°110.5°
CALCAMCBG105.3°104.1°
CAMCALH22110.2°110.5°
CALCAMH24109.9°110.5°
OABCAZCAJ120.8°120.0°
CAZCAJCAH112.5°109.5°
CAZCAJH15108.7°109.5°
CAZCAJH16108.7°109.5°
OAXCBGCAM106.8°104.8°
OAXCBGN9108.9°110.3°
OAXCBGH25111.0°110.4°
CAMCBGN9110.3°110.4°
CBGCAMH24109.8°110.5°
CAMCBGH25109.7°110.4°
CAJCAHCAI109.7°109.5°
CAJCAHH13109.4°109.5°
CAJCAHH14109.4°109.5°
CAHCAJH15108.7°109.5°
CAHCAJH16108.7°109.4°
CBGN9C4125.1°126.3°
CBGN9C8126.5°126.3°
N9CBGH25110.2°110.4°
CAHCAICAK112.5°109.5°
CAHCAIH11108.7°109.5°
CAHCAIH12108.7°109.5°
CAICAHH13109.4°109.5°
CAICAHH14109.4°109.5°
C4N9C8108.4°107.4°
N9C4N3132.6°134.9°
N9C4C5107.7°106.0°
N9C8N7109.0°110.0°
N9C8H26125.5°125.1°
C4N3C2120.2°120.7°
N3C4C5119.7°119.1°
N3C2N1121.3°122.4°
N3C2H27119.3°118.8°
C4C5N7107.4°107.1°
C4C5C6118.9°118.2°
CAICAKCBH110.4°109.5°
CAICAKH9109.3°109.5°
CAICAKH10109.3°109.5°
CAKCAIH11108.7°109.5°
CAKCAIH12108.7°109.5°
C8N7C5107.5°109.4°
N7C8H26125.5°124.9°
C2N1C6120.7°121.2°
N1C2H27119.3°118.8°
N7C5C6133.7°134.7°
C5C6N1119.2°118.5°
C5C6N6120.7°120.8°
CAKCBHCBI113.9°110.7°
CAKCBHSAY111.4°110.8°
CAKCBHH8110.0°110.8°
CBHCAKH9109.2°109.5°
CBHCAKH10109.2°109.5°
N1C6N6120.1°120.7°
CBINAUCBA112.7°109.1°
NAUCBICBH106.1°109.3°
NAUCBICBF102.1°104.0°
NAUCBIH2113.2°110.5°
CBINAUH3123.7°125.5°
NAUCBAOAC125.2°123.1°
NAUCBANAT110.0°113.9°
CBANAUH3123.6°125.4°
C6N6H28109.5°120.0°
C6N6H29109.5°120.0°
CBHCBICBF111.1°112.4°
CBICBHSAY104.0°102.7°
CBHCBIH2112.0°110.2°
CBICBHH8109.9°110.8°
CBICBFNAT102.6°104.0°
CBICBFCAO111.7°112.4°
CBFCBIH2111.8°110.3°
CBICBFH5112.0°110.3°
CBHSAYCAO98.7°94.8°
SAYCBHH8107.3°110.8°
OACCBANAT124.8°123.0°
CBANATCBF112.5°109.0°
CBANATH4123.8°125.6°
NATCBFCAO104.3°109.2°
CBFNATH4123.7°125.5°
NATCBFH5113.4°110.3°
CBFCAOSAY104.8°102.7°
CAOCBFH5112.2°110.5°
CBFCAOH6110.6°110.7°
CBFCAOH7110.6°110.8°
SAYCAOH6110.6°110.8°
SAYCAOH7110.6°110.9°
H6CAOH7109.5°110.7°
H9CAKH10109.5°109.4°
H11CAIH12109.4°109.5°
H13CAHH14109.5°109.4°
H15CAJH16109.4°109.5°
H19CANH20109.5°109.5°
H28N6H29109.4°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAESBKOADNAW119.7°122.9°
OAESBKOADNAV119.2°123.0°
OAESBKNAWNAV120.7°113.6°
OAESBKNAWCAN36.9°178.5°
OAESBKNAVCAZ179.0°48.6°
OAESBKNAVH170.9°131.4°
OAESBKNAWH1883.5°1.4°
OADSBKNAWNAV120.2°113.5°
OADSBKNAWCAN155.9°48.6°
OADSBKNAVCAZ61.8°178.5°
OADSBKNAVH17118.2°1.5°
OADSBKNAWH1835.5°131.5°
N2N5N8QCAM67.3°147.3°
SBKNAWCANH18120.3°179.9°
NAWSBKNAVCAZ57.8°65.0°
SBKNAWCANCBE152.4°165.0°
NAWSBKNAVH17122.2°115.0°
SBKNAWCANH1987.9°75.0°
SBKNAWCANH2032.7°45.0°
NAVSBKNAWCAN83.9°65.0°
SBKNAVCAZH17180.0°180.0°
SBKNAVCAZOAB0.5°0.0°
SBKNAVCAZCAJ179.2°180.0°
NAVSBKNAWH18155.8°114.9°
N5N8QCAMCAL67.2°66.4°
N5N8QCAMCBG48.8°178.9°
N5N8QCAMH24170.5°56.3°
OALCALCBECAN91.2°98.5°
OALCALCBECAM118.3°118.6°
OALCALCBEH22123.8°122.7°
OALCALCBEOAX146.6°142.6°
OALCALCAMN8Q23.5°0.0°
OALCALCAMH22123.6°122.7°
OALCALCAMCBG142.5°118.6°
OALCALCBEH2129.4°23.7°
OALCALCAMH2499.3°122.7°
NAWCANCBEH19119.7°120.0°
NAWCANCBEH20119.7°120.0°
NAWCANCBECAL172.8°175.0°
NAWCANCBEOAX53.5°69.6°
NAWCANH19H20120.9°120.0°
NAWCANCBEH2166.5°52.7°
NAVCAZOABCAJ179.7°180.0°
NAVCAZCAJCAH105.8°180.0°
NAVCAZCAJH15133.8°60.0°
NAVCAZCAJH1614.7°60.0°
CANCBECALOAX122.2°118.8°
CANCBECALH21120.6°122.2°
CANCBEOAXH21119.2°122.2°
CANCBECALCAM150.4°142.8°
CANCBEOAXCBG146.6°159.4°
CBECANNAWH1832.0°15.0°
CBECANH19H20120.8°120.0°
CANCBECALH2232.6°24.1°
CALCBEOAXH21116.5°119.0°
CBECALCAMN8Q95.0°118.6°
CBECALCAMH22117.9°118.7°
CALCBEOAXCBG22.3°40.5°
CBECALCAMCBG23.9°0.0°
CALCBECANH1953.1°65.0°
CALCBECANH2067.4°55.0°
CBECALOALH23180.0°180.0°
CBECALCAMH24142.2°118.7°
OAXCBECALCAM28.3°24.0°
CBEOAXCBGCAM6.8°40.5°
CBEOAXCBGN9125.9°159.3°
OAXCBECANH1966.3°50.4°
OAXCBECANH20173.2°170.4°
OAXCBECALH2289.6°94.7°
CBEOAXCBGH25112.7°78.4°
N8QCAMCALCBG118.9°118.6°
N8QCAMCALH24122.8°122.7°
N8QCAMCBGOAX108.1°142.7°
N8QCAMCBGH24122.2°122.7°
N8QCAMCBGN9133.8°98.5°
N8QCAMCALH22147.1°122.7°
N8QCAMCBGH2512.3°23.8°
CALCAMCBGOAX11.4°24.0°
CALCAMCBGH24118.3°118.7°
CALCAMCBGN9106.7°142.8°
CAMCALCBEH2189.0°94.9°
CAMCALOALH2365.9°65.4°
CALCAMCBGH25131.8°94.9°
OABCAZCAJCAH74.5°0.0°
OABCAZCAJH1545.9°120.0°
OABCAZCAJH16165.0°120.0°
OABCAZNAVH17179.5°180.0°
CAZCAJCAHH15120.5°120.0°
CAZCAJCAHH16120.5°120.0°
CAZCAJCAHCAI168.8°180.0°
CAZCAJCAHH1371.2°60.0°
CAZCAJCAHH1448.8°60.0°
CAZCAJH15H16118.6°120.0°
CAJCAZNAVH170.8°0.0°
OAXCBGCAMN9118.1°118.8°
OAXCBGCAMH25120.3°118.9°
OAXCBGN9H25121.9°122.3°
OAXCBGN9C479.0°156.4°
OAXCBGN9C899.9°23.6°
CBGOAXCBEH2194.2°78.4°
OAXCBGCAMH24129.7°94.7°
CAMCBGN9H25121.2°122.4°
CAMCBGN9C4164.2°88.2°
CAMCBGN9C816.9°91.8°
CBGCAMCALH2294.0°118.7°
CAJCAHCAIH13120.0°120.0°
CAJCAHCAIH14120.1°120.0°
CAJCAHCAICAK177.9°180.0°
CAJCAHCAIH1157.4°60.0°
CAJCAHCAIH1261.7°60.0°
CAJCAHH13H14119.9°120.0°
CAHCAJH15H16118.6°120.0°
CBGN9C4C8179.1°180.0°
CBGN9C4N30.7°0.3°
CBGN9C4C5179.4°180.0°
CBGN9C8N7179.4°180.0°
N9CBGCAMH2411.6°24.1°
CBGN9C8H260.5°0.1°
CAHCAICAKH11120.5°120.0°
CAHCAICAKH12120.5°120.0°
CAHCAICAKCBH170.9°180.0°
CAHCAICAKH969.0°60.0°
CAHCAICAKH1050.7°60.0°
CAHCAIH11H12118.6°120.0°
CAICAHH13H14119.9°120.0°
CAICAHCAJH1548.4°60.0°
CAICAHCAJH1670.7°60.0°
N9C4N3C5179.9°179.7°
N9C4N3C2179.8°179.7°
C4N9C8N70.4°0.0°
N9C4C5N70.2°0.0°
N9C4C5C6179.8°180.0°
C4N9CBGH2543.0°34.2°
C4N9C8H26179.6°180.0°
C8N9C4N3179.8°179.7°
C8N9C4C50.3°0.0°
N9C8N7H26180.0°180.0°
N9C8N7C50.3°0.0°
C8N9CBGH25138.1°145.9°
C4N3C2N10.0°0.0°
N3C4C5N7179.9°179.8°
N3C4C5C60.1°0.2°
C4N3C2H27180.0°180.0°
C2N3C4C50.1°0.0°
N3C2N1H27180.0°179.9°
N3C2N1C60.1°0.2°
C4C5N7C80.1°0.0°
C4C5N7C6180.0°180.0°
C4C5C6N10.0°0.5°
C4C5C6N6180.0°180.0°
CAICAKCBHH9120.2°120.0°
CAICAKCBHH10120.2°120.0°
CAICAKCBHCBI75.3°175.0°
CAICAKCBHSAY167.4°71.7°
CAICAKCBHH848.6°51.7°
CAICAKH9H10119.6°120.0°
CAKCAIH11H12118.6°120.0°
CAKCAICAHH1362.1°60.0°
CAKCAICAHH1457.8°60.0°
C8N7C5C6179.9°180.0°
C2N1C6C50.1°0.4°
C2N1C6N6179.9°179.9°
N7C5C6N1180.0°179.6°
N7C5C6N60.0°0.1°
C5N7C8H26179.7°179.9°
C5C6N1N6180.0°179.5°
C5C6N6H28180.0°0.0°
C5C6N6H2960.0°180.0°
CAKCBHCBINAU34.7°28.0°
CAKCBHCBISAY121.4°118.3°
CAKCBHCBIH8124.0°123.4°
CAKCBHCBICBF144.9°142.9°
CAKCBHSAYH8120.4°123.5°
CAKCBHSAYCAO152.7°153.0°
CAKCBHCBIH289.3°93.6°
CBHCAKH9H10119.6°120.0°
CBHCAKCAIH1150.4°60.0°
CBHCAKCAIH1268.7°60.0°
C6N1C2H27179.8°179.7°
N1C6N6H280.0°179.5°
N1C6N6H29120.0°0.5°
CBINAUCBAH3180.0°180.0°
NAUCBICBHCBF110.2°114.9°
NAUCBICBHH2124.0°121.6°
NAUCBICBFH2121.3°118.5°
NAUCBICBHSAY86.8°90.3°
CBINAUCBAOAC178.0°180.0°
CBINAUCBANAT1.9°0.0°
NAUCBICBFNAT4.1°0.0°
NAUCBICBFCAO107.1°118.0°
NAUCBICBFH5126.0°118.2°
NAUCBICBHH8158.7°151.4°
CBANAUCBICBH120.3°120.2°
CBANAUCBICBF3.9°0.0°
NAUCBAOACNAT179.9°180.0°
NAUCBANATCBF1.2°0.0°
CBANAUCBIH2116.4°118.3°
NAUCBANATH4178.8°179.9°
C6N6H28H29120.0°180.0°
CBHCBICBFH2126.0°123.4°
CBICBHSAYH8116.5°118.3°
CBHCBICBFNAT116.9°118.1°
CBHCBICBFCAO5.7°0.0°
CBICBHSAYCAO29.6°34.7°
CBHCBINAUH359.7°59.8°
CBHCBICBFH5121.2°123.7°
CBICBHCAKH944.8°65.0°
CBICBHCAKH10164.5°55.0°
CBFCBICBHSAY23.4°24.7°
CBICBFNATCBA3.5°0.0°
CBICBFNATCAO116.6°120.2°
CBICBFNATH5120.9°118.2°
CBICBFCAOH5126.7°123.6°
CBICBFCAOSAY15.0°24.6°
CBFCBINAUH3176.1°180.0°
CBICBFNATH4176.6°179.9°
CBICBFCAOH6104.3°93.7°
CBICBFCAOH7134.2°143.1°
CBFCBICBHH891.2°93.7°
CBHSAYCAOCBF26.5°34.7°
SAYCBHCBIH2149.3°148.1°
CBHSAYCAOH692.8°83.6°
CBHSAYCAOH7145.8°153.1°
SAYCBHCAKH972.5°48.2°
SAYCBHCAKH1047.2°168.2°
OACCBANATCBF178.9°180.0°
OACCBANAUH32.0°0.0°
OACCBANATH41.1°0.1°
CBANATCBFH4180.0°179.9°
CBANATCBFCAO113.2°120.2°
NATCBANAUH3178.1°180.0°
CBANATCBFH5124.4°118.2°
NATCBFCAOH5123.2°121.4°
NATCBFCAOSAY95.1°90.3°
NATCBFCBIH2117.2°118.5°
NATCBFCAOH6145.6°151.4°
NATCBFCAOH724.1°28.1°
CBFCAOSAYH6119.3°118.3°
CBFCAOSAYH7119.3°118.4°
CAOCBFCBIH2131.6°123.5°
CAOCBFNATH466.8°59.8°
CBFCAOH6H7122.2°123.3°
SAYCAOCBFH5141.7°148.3°
SAYCAOH6H7122.1°123.5°
CAOSAYCBHH886.9°83.6°
H2CBINAUH363.6°61.7°
H2CBICBFH54.8°0.3°
H2CBICBHH834.7°29.8°
H4NATCBFH555.6°61.7°
H5CBFCAOH622.4°30.0°
H5CBFCAOH799.1°93.3°
H8CBHCAKH9168.8°171.7°
H8CBHCAKH1071.5°68.3°
H9CAKCAIH11170.5°180.0°
H9CAKCAIH1251.5°60.0°
H10CAKCAIH1169.7°60.0°
H10CAKCAIH12171.2°179.9°
H11CAICAHH13177.4°180.0°
H11CAICAHH1462.6°60.0°
H12CAICAHH1358.4°60.0°
H12CAICAHH14178.3°180.0°
H13CAHCAJH15168.4°180.0°
H13CAHCAJH1649.3°60.0°
H14CAHCAJH1571.7°60.0°
H14CAHCAJH16169.2°179.9°
H18NAWCANH19151.8°104.9°
H18NAWCANH2087.6°135.0°
H19CANCBEH21173.8°172.7°
H20CANCBEH2153.2°67.3°
H21CBECALH22153.1°146.4°
H22CALOALH2357.0°57.3°
H22CALCAMH2424.3°0.0°
H24CAMCBGH25109.9°146.5°

248636

PDB entries from 2026-02-04

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