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JF0

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAACAYsing1.51Å1.50Å
CAYCANsing1.38Å1.38ÅAromatic
CAYCAFdoub1.38Å1.38ÅAromatic
CANCBBdoub1.39Å1.39ÅAromatic
CAFCACsing1.38Å1.37ÅAromatic
CACCAGdoub1.38Å1.37ÅAromatic
CAGCBBsing1.39Å1.38ÅAromatic
CBBCBAsing1.48Å1.49Å
CBACAMsing1.39Å1.38ÅAromatic
CBACALdoub1.39Å1.38ÅAromatic
CAMCAKdoub1.38Å1.41ÅAromatic
CAKCAZsing1.39Å1.37ÅAromatic
CALCAJsing1.38Å1.40ÅAromatic
CAJCAZdoub1.39Å1.39ÅAromatic
CAZOAWsing1.36Å1.39Å
OAWCARsing1.43Å1.41Å
CARCAPsing1.53Å1.50Å
CAPCAOsing1.53Å1.51Å
CAOCAQsing1.53Å1.46Å
CAQCASsing1.53Å1.49Å
CASNBDsing1.47Å1.46Å
NBDCAXsing1.34Å1.36Å
NBDCATsing1.47Å1.47Å
CAXOABdoub1.22Å1.23Å
CAXNBEsing1.34Å1.38Å
CATCAUsing1.54Å1.51Å
CAUNBEsing1.47Å1.46Å
NBECBCsing1.39Å1.41Å
CBCCAHdoub1.39Å1.38ÅAromatic
CBCCAIsing1.39Å1.38ÅAromatic
CAHCADsing1.38Å1.37ÅAromatic
CADNAVdoub1.32Å1.33ÅAromatic
NAVCAEsing1.32Å1.33ÅAromatic
CAECAIdoub1.38Å1.37ÅAromatic
CAAHAA1sing1.09Å1.10Å
CAAHAA2sing1.09Å1.10Å
CAAHAA3sing1.09Å1.10Å
CANHANsing1.08Å1.08Å
CAFHAFsing1.08Å1.08Å
CACHACsing1.08Å1.08Å
CAGHAGsing1.08Å1.08Å
CAMHAMsing1.08Å1.08Å
CALHALsing1.08Å1.08Å
CAKHAKsing1.08Å1.08Å
CAJHAJsing1.08Å1.08Å
CARHAR1sing1.09Å1.10Å
CARHAR2sing1.09Å1.10Å
CAPHAP1sing1.09Å1.10Å
CAPHAP2sing1.09Å1.10Å
CAOHAO1sing1.09Å1.10Å
CAOHAO2sing1.09Å1.10Å
CAQHAQ1sing1.09Å1.10Å
CAQHAQ2sing1.09Å1.10Å
CASHAS1sing1.09Å1.10Å
CASHAS2sing1.09Å1.10Å
CATHATsing1.09Å1.10Å
CAUHAUsing1.09Å1.10Å
CATHARsing1.09Å1.10Å
CAUHASsing1.09Å1.10Å
CAHHAHsing1.08Å1.08Å
CAIHAIsing1.08Å1.08Å
CADHADsing1.08Å1.08Å
CAEHAEsing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAACAYCAN120.7°119.9°
CAACAYCAF121.4°119.9°
CAYCAAHAA1109.5°109.5°
CAYCAAHAA2109.5°109.5°
CAYCAAHAA3109.5°109.5°
CANCAYCAF117.9°120.1°
CAYCANCBB122.2°119.9°
CAYCANHAN118.9°120.1°
CAYCAFCAC121.1°120.2°
CAYCAFHAF119.5°119.9°
CANCBBCAG117.9°119.8°
CANCBBCBA120.9°120.1°
CBBCANHAN118.9°120.0°
CAFCACCAG120.3°120.1°
CACCAFHAF119.4°119.9°
CAFCACHAC119.9°119.9°
CACCAGCBB120.6°119.8°
CAGCACHAC119.8°119.9°
CACCAGHAG119.7°120.1°
CAGCBBCBA121.1°120.1°
CBBCAGHAG119.7°120.1°
CBBCBACAM121.8°120.0°
CBBCBACAL120.9°120.0°
CAMCBACAL117.3°119.9°
CBACAMCAK121.6°119.9°
CBACAMHAM119.2°120.0°
CBACALCAJ121.9°119.9°
CBACALHAL119.1°120.1°
CAMCAKCAZ120.3°120.1°
CAKCAMHAM119.2°120.1°
CAMCAKHAK119.9°120.0°
CAKCAZCAJ118.9°120.1°
CAKCAZOAW134.1°119.9°
CAZCAKHAK119.9°120.0°
CALCAJCAZ119.9°120.1°
CAJCALHAL119.0°120.0°
CALCAJHAJ120.1°120.0°
CAJCAZOAW106.8°119.9°
CAZCAJHAJ120.0°119.9°
CAZOAWCAR119.6°117.0°
OAWCARCAP105.8°109.5°
OAWCARHAR1110.4°109.5°
OAWCARHAR2110.4°109.5°
CARCAPCAO106.7°109.5°
CAPCARHAR1110.4°109.4°
CAPCARHAR2110.4°109.5°
CARCAPHAP1110.2°109.4°
CARCAPHAP2110.2°109.4°
CAPCAOCAQ111.1°109.4°
CAOCAPHAP1110.2°109.5°
CAOCAPHAP2110.2°109.5°
CAPCAOHAO1109.0°109.5°
CAPCAOHAO2109.1°109.5°
CAOCAQCAS108.5°109.5°
CAQCAOHAO1109.1°109.4°
CAQCAOHAO2109.1°109.5°
CAOCAQHAQ1109.7°109.5°
CAOCAQHAQ2109.7°109.5°
CAQCASNBD112.5°109.5°
CASCAQHAQ1109.7°109.5°
CASCAQHAQ2109.7°109.4°
CAQCASHAS1108.7°109.5°
CAQCASHAS2108.7°109.4°
CASNBDCAX126.9°125.4°
CASNBDCAT121.6°125.4°
NBDCASHAS1108.7°109.5°
NBDCASHAS2108.7°109.4°
CAXNBDCAT111.4°109.2°
NBDCAXOAB126.0°123.0°
NBDCAXNBE107.9°113.9°
NBDCATCAU104.9°103.8°
NBDCATHAT110.6°110.5°
NBDCATHAR110.6°110.6°
OABCAXNBE126.2°123.1°
CAXNBECAU112.4°109.2°
CAXNBECBC126.6°125.4°
CATCAUNBE103.4°103.9°
CAUCATHAT110.6°110.5°
CATCAUHAU111.0°110.6°
CAUCATHAR110.6°110.5°
CATCAUHAS111.0°110.5°
CAUNBECBC120.8°125.4°
NBECAUHAU111.0°110.4°
NBECAUHAS111.0°110.7°
NBECBCCAH120.1°120.9°
NBECBCCAI121.4°120.8°
CAHCBCCAI118.4°118.3°
CBCCAHCAD118.9°119.1°
CBCCAHHAH120.6°120.5°
CBCCAICAE118.6°119.1°
CBCCAIHAI120.7°120.5°
CAHCADNAV123.7°120.9°
CADCAHHAH120.6°120.4°
CAHCADHAD118.1°119.6°
CADNAVCAE116.7°121.9°
NAVCADHAD118.2°119.6°
NAVCAECAI123.8°120.8°
NAVCAEHAE118.1°119.6°
CAECAIHAI120.7°120.4°
CAICAEHAE118.1°119.6°
HAA1CAAHAA2109.4°109.4°
HAA1CAAHAA3109.5°109.5°
HAA2CAAHAA3109.5°109.4°
HAR1CARHAR2109.4°109.4°
HAP1CAPHAP2109.5°109.5°
HAO1CAOHAO2109.5°109.5°
HAQ1CAQHAQ2109.4°109.5°
HAS1CASHAS2109.5°109.5°
HATCATHAR109.5°110.6°
HAUCAUHAS109.5°110.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAACAYCANCAF179.4°179.7°
CAACAYCANCBB179.3°180.0°
CAACAYCAFCAC179.3°180.0°
CAYCAAHAA1HAA2120.0°120.0°
CAYCAAHAA1HAA3120.0°120.1°
CAYCAAHAA2HAA3120.0°120.1°
CAACAYCANHAN0.7°0.1°
CAACAYCAFHAF0.7°0.0°
CAYCANCBBHAN180.0°179.9°
CANCAYCAFCAC0.1°0.3°
CAYCANCBBCAG0.2°0.1°
CAYCANCBBCBA176.1°180.0°
CANCAYCAAHAA189.7°90.1°
CANCAYCAAHAA2150.3°150.0°
CANCAYCAAHAA330.3°30.0°
CANCAYCAFHAF180.0°179.7°
CAFCAYCANCBB0.1°0.3°
CAYCAFCACHAF180.0°179.9°
CAYCAFCACCAG0.3°0.0°
CAFCAYCAAHAA189.7°90.2°
CAFCAYCAAHAA230.3°29.7°
CAFCAYCAAHAA3150.3°149.7°
CAFCAYCANHAN179.9°179.8°
CAYCAFCACHAC179.7°179.9°
CANCBBCAGCAC0.6°0.2°
CANCBBCAGCBA176.3°179.9°
CANCBBCBACAM0.1°180.0°
CANCBBCBACAL179.5°0.4°
CANCBBCAGHAG179.4°179.9°
CAFCACCAGHAC180.0°179.9°
CAFCACCAGCBB0.6°0.2°
CAFCACCAGHAG179.3°180.0°
CACCAGCBBHAG180.0°179.7°
CACCAGCBBCBA175.8°179.7°
CAGCACCAFHAF179.7°180.0°
CAGCBBCBACAM176.1°0.1°
CAGCBBCBACAL3.2°179.7°
CAGCBBCANHAN179.8°179.9°
CBBCAGCACHAC179.4°179.7°
CBBCBACAMCAL179.4°179.6°
CBBCBACAMCAK177.4°179.9°
CBBCBACALCAJ177.4°179.9°
CBACBBCANHAN3.9°0.2°
CBACBBCAGHAG4.3°0.0°
CBBCBACAMHAM2.6°0.1°
CBBCBACALHAL2.6°0.1°
CBACAMCAKHAM180.0°180.0°
CBACAMCAKCAZ0.0°0.0°
CAMCBACALCAJ2.0°0.3°
CAMCBACALHAL178.0°179.7°
CBACAMCAKHAK180.0°180.0°
CALCBACAMCAK2.0°0.3°
CBACALCAJHAL180.0°180.0°
CBACALCAJCAZ0.1°0.0°
CALCBACAMHAM178.0°179.7°
CBACALCAJHAJ179.9°180.0°
CAMCAKCAZHAK180.0°180.0°
CAMCAKCAZCAJ2.1°0.3°
CAMCAKCAZOAW172.4°180.0°
CAKCAZCAJCAL2.1°0.3°
CAKCAZCAJOAW175.9°179.7°
CAKCAZOAWCAR97.9°180.0°
CAZCAKCAMHAM180.0°179.9°
CAKCAZCAJHAJ177.9°179.7°
CALCAJCAZHAJ180.0°179.9°
CALCAJCAZOAW173.8°180.0°
CAJCAZOAWCAR87.1°0.3°
CAZCAJCALHAL180.0°180.0°
CAJCAZCAKHAK177.9°179.7°
CAZOAWCARCAP180.0°180.0°
OAWCAZCAKHAK7.6°0.0°
OAWCAZCAJHAJ6.3°0.0°
CAZOAWCARHAR160.5°60.1°
CAZOAWCARHAR260.6°60.0°
OAWCARCAPHAR1119.4°120.0°
OAWCARCAPHAR2119.4°120.0°
OAWCARCAPCAO178.2°180.0°
OAWCARHAR1HAR2121.7°120.1°
OAWCARCAPHAP162.2°60.0°
OAWCARCAPHAP258.7°60.0°
CARCAPCAOHAP1119.6°120.0°
CARCAPCAOHAP2119.6°119.9°
CARCAPCAOCAQ179.7°180.0°
CAPCARHAR1HAR2121.7°119.9°
CARCAPHAP1HAP2121.3°120.0°
CARCAPCAOHAO159.5°60.0°
CARCAPCAOHAO260.0°60.0°
CAPCAOCAQHAO1120.2°120.0°
CAPCAOCAQHAO2120.3°120.0°
CAPCAOCAQCAS59.0°180.0°
CAOCAPCARHAR158.8°60.0°
CAOCAPCARHAR262.3°60.0°
CAOCAPHAP1HAP2121.3°120.0°
CAPCAOHAO1HAO2119.2°120.0°
CAPCAOCAQHAQ1178.8°60.0°
CAPCAOCAQHAQ260.9°60.1°
CAOCAQCASHAQ1119.9°120.0°
CAOCAQCASHAQ2119.9°120.0°
CAOCAQCASNBD179.9°180.0°
CAQCAOCAPHAP160.7°60.0°
CAQCAOCAPHAP260.2°60.1°
CAQCAOHAO1HAO2119.3°120.0°
CAOCAQHAQ1HAQ2120.4°120.0°
CAOCAQCASHAS159.4°60.0°
CAOCAQCASHAS259.6°60.1°
CAQCASNBDHAS1120.4°120.0°
CAQCASNBDHAS2120.4°120.0°
CAQCASNBDCAX143.9°90.0°
CAQCASNBDCAT35.9°90.2°
CASCAQCAOHAO161.3°60.0°
CASCAQCAOHAO2179.2°60.0°
CASCAQHAQ1HAQ2120.5°119.9°
CAQCASHAS1HAS2118.6°120.0°
CASNBDCAXCAT179.8°179.8°
CASNBDCAXOAB1.0°0.0°
CASNBDCAXNBE180.0°180.0°
CASNBDCATCAU180.0°180.0°
NBDCASCAQHAQ160.2°60.0°
NBDCASCAQHAQ260.0°60.0°
NBDCASHAS1HAS2118.7°120.0°
CASNBDCATHAT60.7°61.5°
CASNBDCATHAR60.8°61.4°
NBDCAXOABNBE178.8°180.0°
CAXNBDCATCAU0.2°0.2°
NBDCAXNBECAU0.2°0.1°
NBDCAXNBECBC175.4°180.0°
CAXNBDCASHAS195.7°30.0°
CAXNBDCASHAS223.4°150.0°
CAXNBDCATHAT119.1°118.3°
CAXNBDCATHAR119.4°118.8°
CATNBDCAXOAB178.8°179.8°
CATNBDCAXNBE0.2°0.2°
NBDCATCAUHAT119.3°118.5°
NBDCATCAUHAR119.3°118.6°
NBDCATCAUNBE0.0°0.1°
CATNBDCASHAS184.5°149.8°
CATNBDCASHAS2156.3°29.7°
NBDCATHATHAR122.2°122.8°
NBDCATCAUHAU119.0°118.6°
NBDCATCAUHAS119.0°118.6°
OABCAXNBECAU178.8°179.9°
OABCAXNBECBC5.6°0.0°
CAXNBECAUCAT0.1°0.0°
CAXNBECAUCBC175.9°179.9°
CAXNBECBCCAH175.3°0.0°
CAXNBECBCCAI1.2°179.7°
CAXNBECAUHAU118.9°118.6°
CAXNBECAUHAS119.1°118.6°
CATCAUNBEHAU119.0°118.6°
CATCAUNBEHAS119.0°118.7°
CATCAUNBECBC175.8°179.8°
CAUCATHATHAR122.1°122.8°
CATCAUHAUHAS122.8°122.7°
CAUNBECBCCAH0.0°179.8°
CAUNBECBCCAI176.5°0.1°
NBECAUCATHAT119.2°118.4°
NBECAUHAUHAS122.8°122.8°
NBECAUCATHAR119.3°118.8°
NBECBCCAHCAI176.6°179.7°
NBECBCCAHCAD175.9°180.0°
NBECBCCAICAE175.7°179.7°
CBCNBECAUHAU65.2°61.2°
CBCNBECAUHAS56.8°61.5°
NBECBCCAHHAH4.2°0.0°
NBECBCCAIHAI4.3°0.0°
CBCCAHCADHAH180.0°180.0°
CBCCAHCADNAV0.1°0.1°
CAHCBCCAICAE0.8°0.6°
CAHCBCCAIHAI179.2°179.7°
CBCCAHCADHAD179.8°179.9°
CAICBCCAHCAD0.7°0.3°
CBCCAICAENAV0.3°0.6°
CBCCAICAEHAI180.0°179.7°
CAICBCCAHHAH179.2°179.7°
CBCCAICAEHAE179.6°179.7°
CAHCADNAVHAD180.0°179.9°
CAHCADNAVCAE0.4°0.1°
CADNAVCAECAI0.3°0.2°
NAVCADCAHHAH179.8°179.9°
CADNAVCAEHAE179.8°179.9°
NAVCAECAIHAE180.0°179.7°
NAVCAECAIHAI179.7°179.7°
CAENAVCADHAD179.6°180.0°
HAA1CAAHAA2HAA3120.0°119.9°
HAFCAFCACHAC0.3°0.1°
HACCACCAGHAG0.6°0.0°
HAMCAMCAKHAK0.0°0.0°
HALCALCAJHAJ0.1°0.0°
HAR1CARCAPHAP1178.4°180.0°
HAR1CARCAPHAP260.8°60.0°
HAR2CARCAPHAP157.2°60.0°
HAR2CARCAPHAP2178.1°180.0°
HAP1CAPCAOHAO1179.1°180.0°
HAP1CAPCAOHAO259.6°60.0°
HAP2CAPCAOHAO160.1°59.9°
HAP2CAPCAOHAO2179.6°180.0°
HAO1CAOCAQHAQ158.6°180.0°
HAO1CAOCAQHAQ2178.8°60.0°
HAO2CAOCAQHAQ160.9°60.0°
HAO2CAOCAQHAQ259.3°179.9°
HAQ1CAQCASHAS1179.3°180.0°
HAQ1CAQCASHAS260.2°60.0°
HAQ2CAQCASHAS160.4°60.0°
HAQ2CAQCASHAS2179.5°180.0°
HATCATCAUHAU0.2°0.1°
HATCATCAUHAS121.7°122.8°
HAUCAUCATHAR121.7°122.8°
HARCATCAUHAS0.3°0.0°
HAHCAHCADHAD0.2°0.1°
HAICAICAEHAE0.4°0.0°

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