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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAHCAIdoub1.38Å1.39ÅAromatic
CAHCAJsing1.38Å1.39ÅAromatic
CAICAZsing1.39Å1.39ÅAromatic
CAJCBCdoub1.39Å1.39ÅAromatic
CAZFAEsing1.35Å1.34Å
CAZCANdoub1.38Å1.39ÅAromatic
CBCCANsing1.39Å1.39ÅAromatic
CBCCBBsing1.48Å1.39Å
CALCBBdoub1.40Å1.39ÅAromatic
CALCAKsing1.38Å1.39ÅAromatic
CBBCAMsing1.39Å1.38ÅAromatic
CAKCBAdoub1.40Å1.39ÅAromatic
CAMNATdoub1.31Å1.39ÅAromatic
CAACAOsing1.53Å1.53Å
CBANATsing1.33Å1.34ÅAromatic
CBACAFsing1.48Å1.39Å
CAPCAQsing1.53Å1.52Å
CAPCBEsing1.53Å1.51Å
OAVCAOsing1.45Å1.43Å
OAVCAXsing1.35Å1.35Å
CAQCBIsing1.53Å1.52Å
CAXOACdoub1.22Å1.23Å
CAXNAUsing1.35Å1.34Å
CAGCAFdoub1.33Å1.53Å
CAGCBFsing1.51Å1.54Å
NAUCBEsing1.47Å1.47Å
CBECARsing1.53Å1.51Å
CBICBFsing1.53Å1.52Å
CBICBGsing1.53Å1.51Å
CABCBDsing1.53Å1.53Å
CBFCBJsing1.50Å1.54Å
CARCBGsing1.53Å1.52Å
CBDCBJsing1.54Å1.52Å
CBDOAWsing1.46Å1.45Å
CBGCASsing1.53Å1.51Å
CBJCBHsing1.54Å1.51Å
CASCBHsing1.53Å1.51Å
OAWCAYsing1.34Å1.36Å
CBHCAYsing1.53Å1.38Å
CAYOADdoub1.21Å1.23Å
CAAH1sing1.09Å1.10Å
CAAH2sing1.09Å1.10Å
CAAH3sing1.09Å1.10Å
CAOH4sing1.09Å1.10Å
CAOH5sing1.09Å1.10Å
NAUH6sing0.97Å1.00Å
CBEH7sing1.09Å1.10Å
CARH8sing1.09Å1.10Å
CARH9sing1.09Å1.10Å
CAPH10sing1.09Å1.10Å
CAPH11sing1.09Å1.10Å
CAQH12sing1.09Å1.10Å
CAQH13sing1.09Å1.10Å
CBIH14sing1.09Å1.10Å
CBGH15sing1.09Å1.10Å
CASH16sing1.09Å1.10Å
CASH17sing1.09Å1.10Å
CBHH18sing1.09Å1.10Å
CBDH19sing1.09Å1.10Å
CABH20sing1.09Å1.10Å
CABH21sing1.09Å1.10Å
CABH22sing1.09Å1.10Å
CBJH23sing1.09Å1.10Å
CBFH24sing1.09Å1.10Å
CAGH25sing1.08Å1.08Å
CAFH27sing1.08Å1.08Å
CAKH29sing1.08Å1.08Å
CALH30sing1.08Å1.08Å
CAMH31sing1.08Å1.08Å
CANH32sing1.08Å1.08Å
CAIH33sing1.08Å1.08Å
CAHH34sing1.08Å1.08Å
CAJH35sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAICAHCAJ120.2°120.1°
CAHCAICAZ119.9°120.2°
CAHCAIH33120.1°119.8°
CAICAHH34119.9°119.9°
CAHCAJCBC119.9°119.9°
CAJCAHH34119.9°120.0°
CAHCAJH35120.1°120.0°
CAICAZFAE120.2°120.0°
CAICAZCAN119.9°120.1°
CAZCAIH33120.1°119.9°
CAJCBCCAN119.8°119.8°
CAJCBCCBB121.0°120.1°
CBCCAJH35120.0°120.1°
FAECAZCAN119.9°120.0°
CAZCANCBC120.4°119.8°
CAZCANH32119.8°120.1°
CANCBCCBB119.2°120.1°
CBCCANH32119.8°120.1°
CBCCBBCAL121.9°120.4°
CBCCBBCAM118.7°120.5°
CBBCALCAK119.5°118.4°
CALCBBCAM119.5°119.2°
CBBCALH30120.3°120.8°
CALCAKCBA120.0°119.2°
CALCAKH29120.0°120.4°
CAKCALH30120.3°120.8°
CBBCAMNAT119.8°120.8°
CBBCAMH31120.1°119.6°
CAKCBANAT120.2°120.8°
CAKCBACAF121.9°119.6°
CBACAKH29120.0°120.4°
CAMNATCBA121.1°121.7°
NATCAMH31120.1°119.6°
CAACAOOAV109.3°109.5°
CAOCAAH1109.5°109.5°
CAOCAAH2109.5°109.4°
CAOCAAH3109.5°109.5°
CAACAOH4109.5°109.4°
CAACAOH5109.5°109.4°
NATCBACAF117.9°119.6°
CBACAFCAG112.6°120.0°
CBACAFH27123.7°120.0°
CAQCAPCBE109.7°109.2°
CAPCAQCBI110.2°109.9°
CAQCAPH10109.4°109.5°
CAQCAPH11109.4°109.5°
CAPCAQH12109.3°109.4°
CAPCAQH13109.3°109.4°
CAPCBENAU109.4°109.5°
CAPCBECAR109.2°109.2°
CAPCBEH7109.5°109.6°
CBECAPH10109.4°109.6°
CBECAPH11109.4°109.6°
CAOOAVCAX109.9°117.0°
OAVCAOH4109.5°109.5°
OAVCAOH5109.5°109.5°
OAVCAXOAC120.0°120.0°
OAVCAXNAU119.8°120.0°
CAQCBICBF108.6°108.9°
CAQCBICBG109.4°109.5°
CBICAQH12109.3°109.4°
CBICAQH13109.3°109.5°
CAQCBIH14110.0°110.0°
OACCAXNAU120.2°120.0°
CAXNAUCBE122.5°120.0°
CAXNAUH6118.8°120.0°
CAFCAGCBF107.8°120.0°
CAFCAGH25126.1°120.0°
CAGCAFH27123.7°120.0°
CAGCBFCBI110.3°108.9°
CAGCBFCBJ110.1°108.9°
CAGCBFH24108.0°108.8°
CBFCAGH25126.1°120.0°
NAUCBECAR108.9°109.5°
CBENAUH6118.7°120.0°
NAUCBEH7110.2°109.5°
CBECARCBG109.9°109.8°
CARCBEH7109.5°109.6°
CBECARH8109.4°109.4°
CBECARH9109.4°109.4°
CBFCBICBG108.7°107.9°
CBICBFCBJ112.2°112.4°
CBFCBIH14110.0°110.0°
CBICBFH24108.2°108.9°
CBICBGCAR110.0°109.5°
CBICBGCAS108.7°108.2°
CBGCBIH14110.1°110.5°
CBICBGH15109.8°109.7°
CABCBDCBJ109.9°110.7°
CABCBDOAW109.3°110.7°
CABCBDH19111.0°110.7°
CBDCABH20109.5°109.5°
CBDCABH21109.4°109.5°
CBDCABH22109.5°109.5°
CBFCBJCBD112.7°113.5°
CBFCBJCBH112.9°114.4°
CBFCBJH23109.8°108.9°
CBJCBFH24107.8°108.9°
CARCBGCAS108.8°109.0°
CBGCARH8109.4°109.4°
CBGCARH9109.4°109.4°
CARCBGH15109.7°109.8°
CBJCBDOAW102.8°103.1°
CBDCBJCBH100.6°100.7°
CBJCBDH19111.2°110.7°
CBDCBJH23110.2°109.5°
CBDOAWCAY105.4°111.1°
OAWCBDH19112.3°110.7°
CBGCASCBH110.7°111.5°
CASCBGH15109.9°110.6°
CBGCASH16109.1°109.0°
CBGCASH17109.1°109.0°
CBJCBHCAS111.9°111.1°
CBJCBHCAY99.1°101.1°
CBJCBHH18111.9°112.9°
CBHCBJH23110.3°109.5°
CASCBHCAY107.5°106.1°
CBHCASH16109.2°109.1°
CBHCASH17109.2°109.2°
CASCBHH18111.8°112.3°
OAWCAYCBH114.5°109.1°
OAWCAYOAD124.3°125.4°
CBHCAYOAD121.2°125.4°
CAYCBHH18114.0°112.6°
H1CAAH2109.5°109.5°
H1CAAH3109.5°109.5°
H2CAAH3109.4°109.5°
H4CAOH5109.5°109.4°
H8CARH9109.5°109.3°
H10CAPH11109.5°109.6°
H12CAQH13109.5°109.3°
H16CASH17109.5°109.0°
H20CABH21109.4°109.4°
H20CABH22109.5°109.5°
H21CABH22109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAICAHCAJH34180.0°179.8°
CAHCAICAZH33180.0°180.0°
CAICAHCAJCBC0.1°0.5°
CAHCAICAZFAE180.0°180.0°
CAHCAICAZCAN0.1°0.0°
CAICAHCAJH35179.9°180.0°
CAJCAHCAICAZ0.0°0.2°
CAHCAJCBCH35180.0°179.6°
CAHCAJCBCCAN0.3°0.5°
CAHCAJCBCCBB179.8°179.8°
CAJCAHCAIH33180.0°179.7°
CAICAZFAECAN179.9°179.9°
CAICAZCANCBC0.1°0.0°
CAICAZCANH32180.0°180.0°
CAZCAICAHH34180.0°179.9°
CAJCBCCANCAZ0.2°0.2°
CAJCBCCANCBB179.5°179.8°
CAJCBCCBBCAL29.0°0.2°
CAJCBCCBBCAM151.0°179.5°
CAJCBCCANH32179.8°179.8°
CBCCAJCAHH34179.9°179.7°
FAECAZCANCBC179.9°180.0°
FAECAZCANH320.1°0.1°
FAECAZCAIH330.0°0.0°
CAZCANCBCH32180.0°180.0°
CAZCANCBCCBB179.8°180.0°
CANCAZCAIH33179.9°179.9°
CANCBCCBBCAL151.5°180.0°
CANCBCCBBCAM28.5°0.3°
CANCBCCAJH35179.7°180.0°
CBCCBBCALCAM180.0°179.7°
CBCCBBCALCAK179.9°180.0°
CBCCBBCAMNAT179.9°179.7°
CBCCBBCALH300.1°0.0°
CBCCBBCAMH310.1°0.3°
CBBCBCCANH320.3°0.0°
CBBCBCCAJH350.2°0.2°
CBBCALCAKH30180.0°180.0°
CBBCALCAKCBA0.1°0.0°
CALCBBCAMNAT0.1°0.5°
CBBCALCAKH29179.9°180.0°
CALCBBCAMH31179.9°180.0°
CAKCALCBBCAM0.1°0.2°
CALCAKCBAH29180.0°180.0°
CALCAKCBANAT0.0°0.0°
CALCAKCBACAF179.9°179.7°
CBBCAMNATH31180.0°179.5°
CBBCAMNATCBA0.0°0.5°
CAMCBBCALH30179.9°179.7°
CAKCBANATCAM0.0°0.3°
CAKCBANATCAF180.0°179.7°
CAKCBACAFCAG2.9°179.7°
CAKCBACAFH27177.1°0.3°
CBACAKCALH30179.9°180.0°
CAMNATCBACAF179.9°180.0°
CAACAOOAVH4120.0°120.0°
CAACAOOAVH5119.9°120.0°
CAACAOOAVCAX179.8°180.0°
CAOCAAH1H2120.0°120.0°
CAOCAAH1H3120.0°120.0°
CAOCAAH2H3120.0°120.0°
CAACAOH4H5120.0°119.9°
NATCBACAFCAG177.1°0.0°
NATCBACAFH272.9°180.0°
NATCBACAKH29180.0°180.0°
CBANATCAMH31180.0°180.0°
CBACAFCAGH27180.0°180.0°
CBACAFCAGCBF176.4°180.0°
CBACAFCAGH253.6°0.0°
CAFCBACAKH290.1°0.3°
CAQCAPCBEH10120.0°119.8°
CAQCAPCBEH11120.0°119.9°
CAPCAQCBIH12120.1°120.1°
CAPCAQCBIH13120.1°120.1°
CAQCAPCBENAU178.8°179.6°
CAQCAPCBECAR59.7°60.5°
CAPCAQCBICBF177.2°177.3°
CAPCAQCBICBG58.7°59.5°
CAQCAPCBEH760.3°59.6°
CAQCAPH10H11119.9°120.1°
CAPCAQH12H13119.7°119.7°
CAPCAQCBIH1462.4°62.1°
CBECAPCAQCBI59.4°60.3°
CAPCBENAUCAX95.2°85.2°
CAPCBENAUCAR119.3°119.7°
CAPCBENAUH7120.5°120.1°
CAPCBECARH7119.9°120.0°
CAPCBECARCBG59.9°60.4°
CAPCBENAUH684.8°94.7°
CAPCBECARH8180.0°179.5°
CAPCBECARH960.1°59.7°
CBECAPH10H11119.9°120.2°
CBECAPCAQH12179.5°179.5°
CBECAPCAQH1360.7°59.8°
CAOOAVCAXOAC22.4°0.0°
CAOOAVCAXNAU157.8°180.0°
OAVCAOCAAH1180.0°180.0°
OAVCAOCAAH260.0°60.0°
OAVCAOCAAH360.0°60.0°
OAVCAOH4H5120.1°120.0°
OAVCAXOACNAU179.8°180.0°
OAVCAXNAUCBE179.9°180.0°
CAXOAVCAOH460.3°60.0°
CAXOAVCAOH559.8°59.9°
OAVCAXNAUH60.0°0.0°
CAQCBICBFCAG61.4°62.0°
CAQCBICBFCBG118.9°118.8°
CAQCBICBFH14120.4°120.6°
CAQCBICBGH14121.0°121.4°
CAQCBICBFCBJ175.4°177.2°
CAQCBICBGCAR58.7°58.9°
CAQCBICBGCAS177.7°177.6°
CBICAQCAPH10179.4°59.6°
CBICAQCAPH1160.6°179.7°
CBICAQH12H13119.7°119.8°
CAQCBICBGH1562.1°61.7°
CAQCBICBFH2456.5°56.5°
OACCAXNAUCBE0.3°0.0°
OACCAXNAUH6179.8°180.0°
CAXNAUCBEH6180.0°180.0°
CAXNAUCBECAR145.5°155.0°
CAXNAUCBEH725.3°34.9°
CAFCAGCBFH25180.0°180.0°
CAFCAGCBFCBI139.6°126.7°
CAFCAGCBFCBJ96.0°110.4°
CAFCAGCBFH2421.5°8.2°
CAGCBFCBICBJ123.2°120.7°
CAGCBFCBIH24117.9°118.5°
CAGCBFCBICBG179.6°179.2°
CAGCBFCBJH24117.6°118.5°
CAGCBFCBJCBD58.7°55.8°
CAGCBFCBJCBH171.8°170.7°
CAGCBFCBIH1459.0°58.6°
CAGCBFCBJH2364.6°66.4°
CBFCAGCAFH273.6°0.0°
NAUCBECARH7120.6°120.1°
NAUCBECARCBG179.4°179.7°
NAUCBECARH860.5°59.6°
NAUCBECARH959.3°60.2°
NAUCBECAPH1061.2°60.5°
NAUCBECAPH1158.8°59.7°
CBECARCBGCBI59.9°59.6°
CBECARCBGH8120.1°120.1°
CBECARCBGH9120.1°120.1°
CBECARCBGCAS178.8°177.8°
CARCBENAUH634.5°25.0°
CBECARH8H9119.8°119.8°
CARCBECAPH10179.7°59.4°
CARCBECAPH1160.4°179.6°
CBECARCBGH1561.0°61.0°
CBFCBICBGH14120.6°120.3°
CBICBFCBJH24119.1°120.8°
CBFCBICBGCAR177.2°177.2°
CBICBFCBJCBD64.6°64.9°
CBFCBICBGCAS63.8°64.1°
CBICBFCBJCBH48.5°49.9°
CBFCBICAQH1262.7°62.6°
CBFCBICAQH1357.1°57.1°
CBFCBICBGH1556.3°56.6°
CBICBFCBJH23172.1°172.9°
CBICBFCAGH2540.4°53.2°
CBGCBICBFCBJ56.4°58.5°
CBICBGCARCAS118.9°118.2°
CBICBGCARH15120.9°120.5°
CBICBGCASH15120.1°120.2°
CBICBGCASCBH63.7°62.6°
CBICBGCARH8179.9°179.7°
CBICBGCARH960.2°60.6°
CBGCBICAQH12178.8°179.7°
CBGCBICAQH1361.4°60.6°
CBICBGCASH16176.1°176.9°
CBICBGCASH1756.5°58.0°
CBGCBICBFH2462.5°62.3°
CABCBDCBJCBF85.6°82.9°
CABCBDCBJOAW116.3°118.4°
CABCBDCBJH19123.4°123.2°
CABCBDOAWH19123.7°123.2°
CABCBDCBJCBH153.9°154.3°
CABCBDOAWCAY137.4°140.8°
CBDCABH20H21120.0°120.0°
CBDCABH20H22120.0°120.0°
CBDCABH21H22120.0°120.0°
CABCBDCBJH2337.5°39.0°
CBFCBJCBDCBH120.5°122.7°
CBFCBJCBDH23123.1°121.9°
CBFCBJCBDOAW158.1°158.7°
CBFCBJCBHH23123.3°122.6°
CBFCBJCBHCAS47.0°45.8°
CBFCBJCBHCAY160.1°158.0°
CBJCBFCBIH1464.2°62.1°
CBFCBJCBHH1879.4°81.5°
CBFCBJCBDH1937.7°40.2°
CBJCBFCAGH2584.0°69.6°
CARCBGCASH15120.1°120.8°
CARCBGCASCBH176.5°178.4°
CBGCARCBEH760.0°59.6°
CBGCARH8H9119.8°119.8°
CARCBGCBIH1462.2°62.5°
CARCBGCASH1656.3°57.9°
CARCBGCASH1763.3°61.0°
CBJCBDOAWH19119.6°118.4°
CBDCBJCBHH23116.4°115.3°
CBDCBJCBHCAS73.3°76.3°
CBJCBDOAWCAY20.7°22.4°
CBDCBJCBHCAY39.8°35.9°
CBDCBJCBHH18160.3°156.4°
CBJCBDCABH20180.0°52.9°
CBJCBDCABH2160.0°172.9°
CBJCBDCABH2260.0°67.1°
CBDCBJCBFH24176.3°174.4°
OAWCBDCBJCBH37.6°35.9°
CBDOAWCAYCBH6.4°1.5°
CBDOAWCAYOAD173.8°178.5°
OAWCBDCABH2068.0°60.8°
OAWCBDCABH21172.1°59.2°
OAWCBDCABH2252.1°179.2°
OAWCBDCBJH2378.8°79.4°
CBGCASCBHCBJ55.0°52.1°
CBGCASCBHH16120.2°120.5°
CBGCASCBHH17120.2°120.5°
CBGCASCBHCAY162.8°161.1°
CASCBGCARH861.2°62.1°
CASCBGCARH958.7°57.7°
CASCBGCBIH1456.7°56.2°
CBGCASH16H17119.4°118.9°
CBGCASCBHH1871.4°75.4°
CBJCBHCASCAY107.8°109.0°
CBJCBHCASH18126.4°127.6°
CBJCBHCAYOAW30.2°24.5°
CBJCBHCAYH18119.0°120.8°
CBJCBHCAYOAD150.0°155.4°
CBJCBHCASH16175.2°172.6°
CBJCBHCASH1765.2°68.4°
CBHCBJCBDH1982.7°82.5°
CBHCBJCBFH2470.6°70.8°
CASCBHCAYOAW86.3°91.4°
CASCBHCAYH18124.5°123.2°
CASCBHCAYOAD93.5°88.6°
CBHCASCBGH1556.4°57.6°
CBHCASH16H17119.4°119.1°
CASCBHCBJH23170.3°168.4°
OAWCAYCBHOAD179.9°180.0°
OAWCAYCBHH18149.1°145.3°
CAYOAWCBDH1998.9°96.0°
CAYCBHCASH1677.0°78.4°
CAYCBHCASH1742.6°40.6°
CAYCBHCBJH2376.6°79.4°
OADCAYCBHH1831.0°34.6°
H1CAAH2H3120.0°120.0°
H1CAACAOH460.0°60.0°
H1CAACAOH560.0°59.9°
H2CAACAOH460.0°60.1°
H2CAACAOH5179.9°179.9°
H3CAACAOH4180.0°180.0°
H3CAACAOH560.0°60.1°
H6NAUCBEH7154.6°145.2°
H7CBECARH860.1°60.5°
H7CBECARH9179.9°179.7°
H7CBECAPH1059.8°179.4°
H7CBECAPH11179.7°60.3°
H8CARCBGH1559.0°59.2°
H9CARCBGH15178.9°178.9°
H10CAPCAQH1260.4°60.6°
H10CAPCAQH1359.3°179.7°
H11CAPCAQH1259.5°59.6°
H11CAPCAQH13179.3°60.1°
H12CAQCBIH1457.8°58.0°
H13CAQCBIH14177.5°177.8°
H14CBICBGH15176.9°176.9°
H14CBICBFH24176.9°177.1°
H15CBGCASH1663.8°62.9°
H15CBGCASH17176.6°178.2°
H16CASCBHH1848.8°45.1°
H17CASCBHH18168.5°164.0°
H18CBHCBJH2344.0°41.1°
H19CBDCABH2056.5°176.1°
H19CBDCABH2163.5°64.0°
H19CBDCABH22176.5°56.1°
H19CBDCBJH23160.8°162.2°
H20CABH21H22120.0°120.0°
H23CBJCBFH2453.0°52.1°
H24CBFCAGH25158.5°171.8°
H25CAGCAFH27176.4°180.0°
H29CAKCALH300.0°0.0°
H33CAICAHH340.0°0.1°
H34CAHCAJH350.1°0.2°

224931

PDB entries from 2024-09-11

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