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7J5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAACANsing1.53Å1.51Å
CABCBEsing1.53Å1.54Å
CAFNAUdoub1.29Å1.33Å
CAFCBAsing1.48Å1.39Å
CAGCAHsing1.38Å1.42ÅAromatic
CAGNAVdoub1.32Å1.43ÅAromatic
CAHCBCdoub1.39Å1.46ÅAromatic
CAICAKdoub1.38Å1.42ÅAromatic
CAICBAsing1.40Å1.43ÅAromatic
CAJCALsing1.38Å1.43ÅAromatic
CAJCBAdoub1.40Å1.44ÅAromatic
CAKCBBsing1.39Å1.44ÅAromatic
CALCBBdoub1.39Å1.43ÅAromatic
CAMCBCsing1.39Å1.44ÅAromatic
CAMCBDdoub1.39Å1.43ÅAromatic
CANOAWsing1.43Å1.41Å
CAOCAPsing1.53Å1.51Å
CAOOAXsing1.43Å1.44Å
CAPCBEsing1.53Å1.53Å
CAQCARsing1.53Å1.53Å
CAQCBEsing1.53Å1.51Å
CARNBFsing1.47Å1.48Å
CASCATsing1.54Å1.50Å
CASNBFsing1.47Å1.47Å
CATNBGsing1.47Å1.50Å
CAYNACsing1.35Å1.34Å
CAYOADdoub1.21Å1.28Å
CAYCBDsing1.48Å1.42Å
CAZOAEdoub1.22Å1.25Å
CAZNBFsing1.34Å1.35Å
CAZNBGsing1.34Å1.37Å
NAUOAWsing1.42Å1.45Å
NAVCBDsing1.33Å1.38ÅAromatic
OAXCBBsing1.36Å1.37Å
CBCNBGsing1.40Å1.39Å
CAAHAA1sing1.09Å1.10Å
CAAHAA2sing1.09Å1.10Å
CAAHAA3sing1.09Å1.10Å
CANHAN1sing1.09Å1.10Å
CANHAN2sing1.09Å1.10Å
CABHAB1sing1.09Å1.10Å
CABHAB2sing1.09Å1.10Å
CABHAB3sing1.09Å1.10Å
CBEHBEsing1.09Å1.10Å
CAFHAFsing1.08Å1.08Å
CAGHAGsing1.08Å1.08Å
CAHHAHsing1.08Å1.08Å
CAIHAIsing1.08Å1.08Å
CAKHAKsing1.08Å1.08Å
CAJHAJsing1.08Å1.08Å
CALHALsing1.08Å1.08Å
CAMHAMsing1.08Å1.08Å
CAOHAO1sing1.09Å1.10Å
CAOHAO2sing1.09Å1.10Å
CAPHAP1sing1.09Å1.10Å
CAPHAP2sing1.09Å1.10Å
CAQHAQ1sing1.09Å1.10Å
CAQHAQ2sing1.09Å1.10Å
CARHAR1sing1.09Å1.10Å
CARHAR2sing1.09Å1.10Å
CASHAS1sing1.09Å1.10Å
CASHAS2sing1.09Å1.10Å
CATHAT1sing1.09Å1.10Å
CATHAT2sing1.09Å1.10Å
NACHAC1sing0.97Å1.00Å
NACHAC2sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAACANOAW109.1°109.4°
CANCAAHAA1109.5°109.5°
CANCAAHAA2109.4°109.5°
CANCAAHAA3109.5°109.4°
CAACANHAN1109.6°109.5°
CAACANHAN2109.6°109.5°
CABCBECAP110.0°109.5°
CABCBECAQ108.6°109.5°
CBECABHAB1109.5°109.5°
CBECABHAB2109.5°109.5°
CBECABHAB3109.5°109.4°
CABCBEHBE109.5°109.4°
NAUCAFCBA119.3°120.0°
CAFNAUOAW116.9°120.0°
NAUCAFHAF120.4°120.0°
CAFCBACAI116.3°120.1°
CAFCBACAJ123.1°120.1°
CBACAFHAF120.4°120.0°
CAHCAGNAV116.8°120.9°
CAGCAHCBC122.1°119.3°
CAHCAGHAG121.6°119.5°
CAGCAHHAH119.0°120.4°
CAGNAVCBD123.3°121.9°
NAVCAGHAG121.6°119.6°
CAHCBCCAM117.5°118.3°
CAHCBCNBG120.1°120.8°
CBCCAHHAH118.9°120.3°
CAKCAICBA120.0°119.9°
CAICAKCBB120.1°120.1°
CAKCAIHAI120.0°120.0°
CAICAKHAK119.9°120.0°
CAICBACAJ120.6°119.8°
CBACAIHAI120.0°120.1°
CALCAJCBA119.3°119.9°
CAJCALCBB120.1°120.1°
CALCAJHAJ120.3°120.1°
CAJCALHAL120.0°119.9°
CBACAJHAJ120.3°120.0°
CAKCBBCAL119.9°120.2°
CAKCBBOAX124.0°119.9°
CBBCAKHAK120.0°120.0°
CALCBBOAX116.1°119.9°
CBBCALHAL120.0°120.0°
CBCCAMCBD120.2°119.0°
CAMCBCNBG122.3°120.9°
CBCCAMHAM119.9°120.5°
CAMCBDCAY120.9°119.7°
CAMCBDNAV120.1°120.6°
CBDCAMHAM119.9°120.5°
CANOAWNAU107.5°114.0°
OAWCANHAN1109.6°109.5°
OAWCANHAN2109.6°109.4°
CAPCAOOAX111.9°109.4°
CAOCAPCBE109.1°109.5°
CAPCAOHAO1108.8°109.5°
CAPCAOHAO2108.9°109.5°
CAOCAPHAP1109.6°109.5°
CAOCAPHAP2109.6°109.5°
CAOOAXCBB121.1°117.0°
OAXCAOHAO1108.9°109.5°
OAXCAOHAO2108.9°109.4°
CAPCBECAQ109.2°109.5°
CAPCBEHBE109.6°109.5°
CBECAPHAP1109.6°109.4°
CBECAPHAP2109.6°109.5°
CARCAQCBE110.3°109.5°
CAQCARNBF113.0°109.5°
CARCAQHAQ1109.3°109.5°
CARCAQHAQ2109.3°109.4°
CAQCARHAR1108.6°109.5°
CAQCARHAR2108.6°109.5°
CAQCBEHBE109.9°109.5°
CBECAQHAQ1109.2°109.5°
CBECAQHAQ2109.3°109.5°
CARNBFCAS124.2°125.4°
CARNBFCAZ126.6°125.4°
NBFCARHAR1108.6°109.4°
NBFCARHAR2108.6°109.4°
CATCASNBF103.8°103.9°
CASCATNBG107.0°103.8°
CATCASHAS1110.9°110.5°
CATCASHAS2110.9°110.6°
CASCATHAT1110.1°110.5°
CASCATHAT2110.1°110.6°
CASNBFCAZ109.2°109.2°
NBFCASHAS1110.9°110.5°
NBFCASHAS2110.9°110.6°
CATNBGCAZ104.9°109.2°
CATNBGCBC122.8°125.4°
NBGCATHAT1110.1°110.6°
NBGCATHAT2110.1°110.6°
NACCAYOAD123.0°120.0°
NACCAYCBD115.6°120.0°
CAYNACHAC1120.0°120.0°
CAYNACHAC2120.0°120.0°
OADCAYCBD121.4°120.0°
CAYCBDNAV119.0°119.7°
OAECAZNBF120.2°123.1°
OAECAZNBG124.8°123.0°
NBFCAZNBG115.0°113.9°
CAZNBGCBC132.2°125.4°
HAA1CAAHAA2109.5°109.5°
HAA1CAAHAA3109.4°109.5°
HAA2CAAHAA3109.5°109.4°
HAN1CANHAN2109.5°109.4°
HAB1CABHAB2109.5°109.5°
HAB1CABHAB3109.5°109.4°
HAB2CABHAB3109.5°109.5°
HAO1CAOHAO2109.5°109.5°
HAP1CAPHAP2109.5°109.5°
HAQ1CAQHAQ2109.5°109.5°
HAR1CARHAR2109.4°109.5°
HAS1CASHAS2109.4°110.6°
HAT1CATHAT2109.5°110.6°
HAC1NACHAC2120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAACANOAWHAN1119.9°120.0°
CAACANOAWHAN2120.0°120.0°
CAACANOAWNAU179.6°180.0°
CANCAAHAA1HAA2120.0°120.1°
CANCAAHAA1HAA3120.0°120.0°
CANCAAHAA2HAA3120.0°120.0°
CAACANHAN1HAN2120.2°120.0°
CABCBECAPCAO66.7°65.0°
CABCBECAPCAQ119.1°120.0°
CABCBECAPHBE120.4°120.0°
CABCBECAQCAR91.2°65.0°
CABCBECAQHBE119.8°119.9°
CBECABHAB1HAB2120.0°120.1°
CBECABHAB1HAB3120.0°119.9°
CBECABHAB2HAB3120.0°120.0°
CABCBECAPHAP153.2°55.0°
CABCBECAPHAP2173.4°175.0°
CABCBECAQHAQ1148.7°175.0°
CABCBECAQHAQ229.0°55.0°
NAUCAFCBAHAF180.0°180.0°
NAUCAFCBACAI160.5°180.0°
NAUCAFCBACAJ19.7°0.0°
CAFNAUOAWCAN179.8°180.0°
CAFCBACAICAK179.7°180.0°
CAFCBACAICAJ179.8°180.0°
CAFCBACAJCAL179.7°180.0°
CBACAFNAUOAW179.7°180.0°
CAFCBACAIHAI0.3°0.2°
CAFCBACAJHAJ0.3°0.0°
CAHCAGNAVHAG180.0°179.6°
CAGCAHCBCHAH180.0°179.9°
CAGCAHCBCCAM0.4°0.1°
CAHCAGNAVCBD0.2°0.1°
CAGCAHCBCNBG176.9°180.0°
NAVCAGCAHCBC0.0°0.1°
CAGNAVCBDCAM0.0°0.1°
CAGNAVCBDCAY180.0°180.0°
NAVCAGCAHHAH180.0°180.0°
CAHCBCCAMNBG177.2°180.0°
CAHCBCCAMCBD0.6°0.1°
CAHCBCNBGCAT19.5°0.0°
CAHCBCNBGCAZ157.6°180.0°
CBCCAHCAGHAG180.0°179.7°
CAHCBCCAMHAM179.4°180.0°
CAKCAICBAHAI180.0°179.7°
CAKCAICBACAJ0.1°0.0°
CAICAKCBBHAK180.0°180.0°
CAICAKCBBCAL0.0°0.0°
CAICAKCBBOAX179.9°180.0°
CAICBACAJCAL0.1°0.0°
CBACAICAKCBB0.1°0.0°
CAICBACAFHAF19.5°0.0°
CBACAICAKHAK179.9°180.0°
CAICBACAJHAJ179.9°180.0°
CALCAJCBAHAJ180.0°180.0°
CAJCALCBBCAK0.1°0.0°
CAJCALCBBHAL180.0°180.0°
CAJCALCBBOAX179.9°180.0°
CBACAJCALCBB0.1°0.0°
CAJCBACAFHAF160.3°180.0°
CAJCBACAIHAI179.9°179.8°
CBACAJCALHAL179.9°180.0°
CAKCBBCALOAX179.8°180.0°
CAKCBBOAXCAO40.9°180.0°
CBBCAKCAIHAI179.9°179.8°
CAKCBBCALHAL180.0°180.0°
CALCBBOAXCAO138.9°0.0°
CALCBBCAKHAK180.0°180.0°
CBBCALCAJHAJ179.9°180.0°
CBCCAMCBDHAM180.0°179.9°
CAMCBCNBGCAT163.4°180.0°
CBCCAMCBDCAY179.6°180.0°
CAMCBCNBGCAZ19.5°0.0°
CBCCAMCBDNAV0.4°0.1°
CAMCBCCAHHAH179.6°180.0°
CAMCBDCAYNAC0.3°180.0°
CAMCBDCAYOAD179.5°0.1°
CAMCBDCAYNAV180.0°179.9°
CBDCAMCBCNBG176.6°179.9°
OAWCANCAAHAA1180.0°60.0°
OAWCANCAAHAA260.0°60.0°
OAWCANCAAHAA360.0°180.0°
OAWCANHAN1HAN2120.2°120.0°
CAPCAOOAXHAO1120.3°120.0°
CAPCAOOAXHAO2120.4°120.0°
CAOCAPCBEHAP1120.0°120.0°
CAOCAPCBEHAP2119.9°120.0°
CAOCAPCBECAQ174.2°175.0°
CAPCAOOAXCBB177.9°180.0°
CAOCAPCBEHBE53.7°55.0°
CAPCAOHAO1HAO2118.9°120.1°
CAOCAPHAP1HAP2120.2°120.1°
OAXCAOCAPCBE142.8°180.0°
OAXCAOHAO1HAO2118.9°120.0°
OAXCAOCAPHAP197.3°60.0°
OAXCAOCAPHAP222.8°60.0°
CAPCBECAQCAR148.9°175.0°
CAPCBECAQHBE120.3°120.0°
CAPCBECABHAB1180.0°60.0°
CAPCBECABHAB260.0°180.0°
CAPCBECABHAB360.0°60.0°
CBECAPCAOHAO196.9°60.0°
CBECAPCAOHAO222.4°60.0°
CBECAPHAP1HAP2120.2°120.0°
CAPCBECAQHAQ128.8°55.0°
CAPCBECAQHAQ291.0°65.0°
CARCAQCBEHAQ1120.1°120.1°
CARCAQCBEHAQ2120.1°120.0°
CAQCARNBFHAR1120.6°120.0°
CAQCARNBFHAR2120.5°120.0°
CAQCARNBFCAS37.9°89.9°
CAQCARNBFCAZ142.8°90.0°
CARCAQCBEHBE28.6°55.0°
CARCAQHAQ1HAQ2119.6°120.0°
CAQCARHAR1HAR2118.3°120.1°
CBECAQCARNBF179.0°180.0°
CAQCBECABHAB160.5°60.1°
CAQCBECABHAB2179.5°60.0°
CAQCBECABHAB359.5°180.0°
CAQCBECAPHAP165.8°65.0°
CAQCBECAPHAP254.3°55.0°
CBECAQHAQ1HAQ2119.6°120.0°
CBECAQCARHAR160.5°60.1°
CBECAQCARHAR258.5°60.0°
CARNBFCASCAT178.4°180.0°
CARNBFCASCAZ179.4°179.9°
CARNBFCAZOAE0.0°0.1°
CARNBFCAZNBG179.6°180.0°
NBFCARCAQHAQ160.9°60.0°
NBFCARCAQHAQ258.9°60.0°
NBFCARHAR1HAR2118.4°120.0°
CARNBFCASHAS159.3°61.4°
CARNBFCASHAS262.5°61.3°
CATCASNBFHAS1119.1°118.6°
CATCASNBFHAS2119.1°118.6°
CASCATNBGHAT1119.6°118.5°
CASCATNBGHAT2119.6°118.6°
CATCASNBFCAZ2.2°0.1°
CASCATNBGCAZ2.1°0.0°
CASCATNBGCBC175.7°180.0°
CATCASHAS1HAS2122.6°122.8°
CASCATHAT1HAT2121.2°122.8°
NBFCASCATNBG2.6°0.1°
CASNBFCAZOAE179.4°180.0°
CASNBFCAZNBG1.0°0.1°
CASNBFCARHAR1158.5°30.1°
CASNBFCARHAR282.6°150.0°
NBFCASHAS1HAS2122.6°122.8°
NBFCASCATHAT1122.2°118.6°
NBFCASCATHAT2117.0°118.6°
CATNBGCAZOAE178.9°180.0°
CATNBGCAZNBF0.7°0.0°
CATNBGCAZCBC177.5°180.0°
NBGCATCASHAS1121.7°118.6°
NBGCATCASHAS2116.5°118.6°
NBGCATHAT1HAT2121.1°122.8°
NACCAYOADCBD179.8°180.0°
NACCAYCBDNAV179.7°0.1°
CAYNACHAC1HAC2180.0°180.0°
OADCAYCBDNAV0.5°180.0°
OADCAYNACHAC10.0°0.0°
OADCAYNACHAC2180.0°180.0°
CAYCBDCAMHAM0.4°0.1°
CBDCAYNACHAC1179.7°180.0°
CBDCAYNACHAC20.2°0.1°
OAECAZNBFNBG179.6°180.0°
OAECAZNBGCBC3.6°0.0°
NBFCAZNBGCBC176.8°180.0°
CAZNBFCARHAR122.3°150.0°
CAZNBFCARHAR296.7°30.1°
CAZNBFCASHAS1121.3°118.6°
CAZNBFCASHAS2116.9°118.6°
CAZNBGCATHAT1121.7°118.6°
CAZNBGCATHAT2117.5°118.6°
NAUOAWCANHAN160.5°59.9°
NAUOAWCANHAN259.6°60.0°
OAWNAUCAFHAF0.3°0.0°
CBDNAVCAGHAG179.8°179.7°
NAVCBDCAMHAM179.6°180.0°
OAXCBBCAKHAK0.1°0.0°
OAXCBBCALHAL0.1°0.0°
CBBOAXCAOHAO157.6°60.0°
CBBOAXCAOHAO261.7°60.0°
NBGCBCCAHHAH3.1°0.0°
NBGCBCCAMHAM3.4°0.0°
CBCNBGCATHAT156.1°61.5°
CBCNBGCATHAT264.7°61.4°
HAA1CAAHAA2HAA3120.0°120.0°
HAA1CAACANHAN160.1°60.0°
HAA1CAACANHAN260.0°NaN°
HAA2CAACANHAN160.0°180.0°
HAA2CAACANHAN2179.9°60.0°
HAA3CAACANHAN1179.9°60.0°
HAA3CAACANHAN260.0°60.0°
HAB1CABHAB2HAB3120.0°120.0°
HAB1CABCBEHBE59.5°180.0°
HAB2CABCBEHBE60.5°60.0°
HAB3CABCBEHBE179.5°60.0°
HBECBECAPHAP1173.7°175.0°
HBECBECAPHAP266.2°65.0°
HBECBECAQHAQ191.5°65.1°
HBECBECAQHAQ2148.7°175.0°
HAGCAGCAHHAH0.0°0.4°
HAICAICAKHAK0.1°0.2°
HAJCAJCALHAL0.1°0.0°
HAO1CAOCAPHAP123.1°59.9°
HAO1CAOCAPHAP2143.2°180.0°
HAO2CAOCAPHAP1142.4°180.0°
HAO2CAOCAPHAP297.5°59.9°
HAQ1CAQCARHAR159.6°60.0°
HAQ1CAQCARHAR2178.5°180.0°
HAQ2CAQCARHAR1179.4°180.0°
HAQ2CAQCARHAR261.7°60.0°
HAS1CASCATHAT1118.7°122.8°
HAS1CASCATHAT22.1°0.0°
HAS2CASCATHAT13.1°0.0°
HAS2CASCATHAT2123.9°122.8°

226262

PDB entries from 2024-10-16

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