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ZVZ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OACCAYdoub1.21Å1.22Å
CAYNAWsing1.35Å1.34Å
CAYCATsing1.51Å1.51Å
NAWCAAsing1.47Å1.46Å
CATOAXsing1.43Å1.43Å
OAXCBAsing1.36Å1.38Å
CBACAKsing1.39Å1.39ÅAromatic
CBACAOdoub1.39Å1.41ÅAromatic
CAKCANdoub1.38Å1.39ÅAromatic
CANCBEsing1.39Å1.40ÅAromatic
CAOCBCsing1.38Å1.40ÅAromatic
CBCCBEdoub1.39Å1.40ÅAromatic
CBCCAUsing1.51Å1.52Å
CBECBBsing1.48Å1.40Å
CBBCAMsing1.40Å1.38ÅAromatic
CBBCALdoub1.40Å1.38ÅAromatic
CAMCAJdoub1.38Å1.40ÅAromatic
CAJCAZsing1.40Å1.37ÅAromatic
CAZCADsing1.43Å1.28Å
CAZCAIdoub1.40Å1.37ÅAromatic
CADNABtrip1.14Å1.16Å
CAICALsing1.38Å1.39ÅAromatic
CAUNBFsing1.47Å1.45Å
NBFCAPsing1.47Å1.49Å
NBFCAQsing1.47Å1.47Å
CAPCARsing1.53Å1.54Å
CARNBGsing1.47Å1.48Å
NBGCASsing1.47Å1.47Å
NBGCBDsing1.39Å1.42Å
CASCAQsing1.53Å1.51Å
CBDNAVdoub1.32Å1.37ÅAromatic
CBDCAHsing1.39Å1.40ÅAromatic
NAVCAGsing1.32Å1.35ÅAromatic
CAGCAEdoub1.38Å1.40ÅAromatic
CAECAFsing1.39Å1.38ÅAromatic
CAFCAHdoub1.38Å1.39ÅAromatic
NAWHAWsing0.97Å1.00Å
CATHAT1sing1.09Å1.10Å
CATHAT2sing1.09Å1.10Å
CAAHAA1sing1.09Å1.10Å
CAAHAA2sing1.09Å1.10Å
CAAHAA3sing1.09Å1.10Å
CAKHAKsing1.08Å1.08Å
CAOHAOsing1.08Å1.08Å
CANHANsing1.08Å1.08Å
CAUHAU1sing1.09Å1.10Å
CAUHAU2sing1.09Å1.10Å
CAMHAMsing1.08Å1.08Å
CALHALsing1.08Å1.08Å
CAJHAJsing1.08Å1.08Å
CAIHAIsing1.08Å1.08Å
CAPHAP1sing1.09Å1.10Å
CAPHAP2sing1.09Å1.10Å
CAQHAQ1sing1.09Å1.10Å
CAQHAQ2sing1.09Å1.10Å
CARHAR1sing1.09Å1.10Å
CARHAR2sing1.09Å1.10Å
CASHAS1sing1.09Å1.10Å
CASHAS2sing1.09Å1.10Å
CAHHAHsing1.08Å1.08Å
CAGHAGsing1.08Å1.08Å
CAEHAEsing1.08Å1.08Å
CAFHAFsing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OACCAYNAW125.1°120.0°
OACCAYCAT117.2°120.0°
NAWCAYCAT117.7°120.0°
CAYNAWCAA131.8°120.0°
CAYNAWHAW114.1°120.1°
CAYCATOAX113.3°109.4°
CAYCATHAT1108.5°109.5°
CAYCATHAT2108.5°109.5°
CAANAWHAW114.1°119.9°
NAWCAAHAA1109.5°109.5°
NAWCAAHAA2109.4°109.5°
NAWCAAHAA3109.5°109.5°
CATOAXCBA125.9°117.0°
OAXCATHAT1108.5°109.5°
OAXCATHAT2108.5°109.5°
OAXCBACAK117.7°119.9°
OAXCBACAO123.1°120.0°
CAKCBACAO119.2°120.1°
CBACAKCAN119.5°120.1°
CBACAKHAK120.2°120.0°
CBACAOCBC121.3°120.1°
CBACAOHAO119.3°120.0°
CAKCANCBE121.6°119.9°
CANCAKHAK120.3°119.9°
CAKCANHAN119.2°120.0°
CANCBECBC119.2°119.9°
CANCBECBB118.0°120.1°
CBECANHAN119.2°120.0°
CAOCBCCBE119.2°119.9°
CAOCBCCAU121.5°120.0°
CBCCAOHAO119.4°119.9°
CBECBCCAU119.3°120.1°
CBCCBECBB122.7°120.0°
CBCCAUNBF117.5°109.5°
CBCCAUHAU1107.4°109.5°
CBCCAUHAU2107.4°109.5°
CBECBBCAM123.0°120.0°
CBECBBCAL120.3°120.0°
CAMCBBCAL116.7°120.0°
CBBCAMCAJ122.4°120.0°
CBBCAMHAM118.8°120.0°
CBBCALCAI120.8°120.0°
CBBCALHAL119.6°119.9°
CAMCAJCAZ120.2°120.0°
CAJCAMHAM118.8°120.0°
CAMCAJHAJ119.9°120.0°
CAJCAZCAD121.4°120.0°
CAJCAZCAI117.6°120.0°
CAZCAJHAJ119.9°120.0°
CADCAZCAI120.9°120.0°
CAZCADNAB176.9°180.0°
CAZCAICAL122.2°119.9°
CAZCAIHAI118.9°120.0°
CAICALHAL119.6°120.0°
CALCAIHAI118.9°120.0°
CAUNBFCAP108.0°111.0°
CAUNBFCAQ108.1°111.0°
NBFCAUHAU1107.4°109.5°
NBFCAUHAU2107.4°109.5°
CAPNBFCAQ110.1°110.9°
NBFCAPCAR108.8°109.3°
NBFCAPHAP1109.6°109.5°
NBFCAPHAP2109.6°109.5°
NBFCAQCAS104.8°109.4°
NBFCAQHAQ1110.6°109.5°
NBFCAQHAQ2110.6°109.5°
CAPCARNBG107.0°109.4°
CARCAPHAP1109.7°109.5°
CARCAPHAP2109.6°109.5°
CAPCARHAR1110.1°109.5°
CAPCARHAR2110.1°109.5°
CARNBGCAS108.2°110.9°
CARNBGCBD117.1°111.0°
NBGCARHAR1110.1°109.5°
NBGCARHAR2110.1°109.4°
CASNBGCBD110.7°111.0°
NBGCASCAQ104.1°109.3°
NBGCASHAS1110.8°109.5°
NBGCASHAS2110.8°109.5°
NBGCBDNAV119.2°119.7°
NBGCBDCAH121.7°119.7°
CASCAQHAQ1110.6°109.5°
CASCAQHAQ2110.6°109.5°
CAQCASHAS1110.8°109.5°
CAQCASHAS2110.8°109.5°
NAVCBDCAH119.0°120.6°
CBDNAVCAG121.2°121.6°
CBDCAHCAF120.8°119.0°
CBDCAHHAH119.6°120.5°
NAVCAGCAE120.8°120.8°
NAVCAGHAG119.6°119.6°
CAGCAECAF119.3°119.3°
CAECAGHAG119.6°119.6°
CAGCAEHAE120.4°120.4°
CAECAFCAH118.8°118.5°
CAFCAEHAE120.3°120.3°
CAECAFHAF120.6°120.8°
CAFCAHHAH119.6°120.5°
CAHCAFHAF120.6°120.7°
HAT1CATHAT2109.5°109.5°
HAA1CAAHAA2109.5°109.4°
HAA1CAAHAA3109.4°109.4°
HAA2CAAHAA3109.5°109.5°
HAU1CAUHAU2109.5°109.4°
HAP1CAPHAP2109.4°109.5°
HAQ1CAQHAQ2109.5°109.5°
HAR1CARHAR2109.4°109.5°
HAS1CASHAS2109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OACCAYNAWCAT179.9°179.7°
OACCAYNAWCAA0.3°0.0°
OACCAYCATOAX167.4°0.0°
OACCAYNAWHAW179.8°180.0°
OACCAYCATHAT146.9°120.0°
OACCAYCATHAT272.0°120.0°
CAYNAWCAAHAW180.0°180.0°
NAWCAYCATOAX12.6°179.7°
NAWCAYCATHAT1133.2°60.3°
NAWCAYCATHAT2107.9°59.7°
CAYNAWCAAHAA1180.0°60.0°
CAYNAWCAAHAA260.0°60.0°
CAYNAWCAAHAA360.0°180.0°
CATCAYNAWCAA179.8°179.7°
CAYCATOAXHAT1120.6°120.0°
CAYCATOAXHAT2120.6°120.0°
CAYCATOAXCBA66.0°180.0°
CATCAYNAWHAW0.2°0.3°
CAYCATHAT1HAT2118.2°120.0°
NAWCAAHAA1HAA2120.0°120.0°
NAWCAAHAA1HAA3120.0°120.0°
NAWCAAHAA2HAA3120.0°120.1°
CATOAXCBACAK179.8°0.0°
CATOAXCBACAO0.4°179.7°
OAXCATHAT1HAT2118.2°120.0°
OAXCBACAKCAO179.8°179.7°
OAXCBACAKCAN179.3°180.0°
OAXCBACAOCBC178.9°179.9°
CBAOAXCATHAT154.6°60.0°
CBAOAXCATHAT2173.5°60.0°
OAXCBACAKHAK0.7°0.1°
OAXCBACAOHAO1.1°0.0°
CBACAKCANHAK180.0°180.0°
CBACAKCANCBE0.0°0.0°
CAKCBACAOCBC0.9°0.2°
CAKCBACAOHAO179.1°179.7°
CBACAKCANHAN180.0°180.0°
CAOCBACAKCAN0.5°0.3°
CBACAOCBCHAO180.0°180.0°
CBACAOCBCCBE0.8°0.1°
CBACAOCBCCAU179.2°180.0°
CAOCBACAKHAK179.5°179.8°
CAKCANCBEHAN180.0°180.0°
CAKCANCBECBC0.1°0.3°
CAKCANCBECBB179.9°180.0°
CANCBECBCCAO0.3°0.3°
CANCBECBCCBB180.0°179.7°
CANCBECBCCAU178.7°179.7°
CANCBECBBCAM178.3°56.5°
CANCBECBBCAL0.1°123.2°
CBECANCAKHAK180.0°180.0°
CAOCBCCBECAU178.4°179.9°
CAOCBCCBECBB179.7°179.9°
CAOCBCCAUNBF24.1°106.0°
CAOCBCCAUHAU197.1°134.0°
CAOCBCCAUHAU2145.2°14.1°
CBCCBECBBCAM1.7°123.8°
CBCCBECBBCAL179.9°56.5°
CBECBCCAUNBF157.6°74.0°
CBECBCCAOHAO179.2°180.0°
CBCCBECANHAN179.9°179.7°
CBECBCCAUHAU181.3°46.0°
CBECBCCAUHAU236.4°166.0°
CAUCBCCBECBB1.3°0.0°
CBCCAUNBFHAU1121.1°120.0°
CBCCAUNBFHAU2121.2°120.0°
CBCCAUNBFCAP164.4°164.1°
CBCCAUNBFCAQ76.6°72.1°
CAUCBCCAOHAO0.8°0.0°
CBCCAUHAU1HAU2116.3°120.0°
CBECBBCAMCAL178.5°179.7°
CBECBBCAMCAJ180.0°180.0°
CBECBBCALCAI179.5°179.7°
CBBCBECANHAN0.1°0.0°
CBECBBCAMHAM0.0°0.1°
CBECBBCALHAL0.5°0.0°
CBBCAMCAJHAM180.0°179.9°
CBBCAMCAJCAZ0.5°0.0°
CAMCBBCALCAI1.0°0.6°
CAMCBBCALHAL179.0°179.7°
CBBCAMCAJHAJ179.5°179.9°
CALCBBCAMCAJ1.5°0.3°
CBBCALCAICAZ0.6°0.6°
CBBCALCAIHAL180.0°179.7°
CALCBBCAMHAM178.4°179.8°
CBBCALCAIHAI179.4°179.7°
CAMCAJCAZHAJ180.0°179.9°
CAMCAJCAZCAD177.6°180.0°
CAMCAJCAZCAI1.0°0.0°
CAJCAZCADCAI176.4°179.9°
CAJCAZCADNAB49.9°35.3°
CAJCAZCAICAL1.6°0.3°
CAZCAJCAMHAM179.4°179.9°
CAJCAZCAIHAI178.4°180.0°
CADCAZCAICAL178.1°179.7°
CADCAZCAJHAJ2.4°0.1°
CADCAZCAIHAI1.8°0.0°
CAICAZCADNAB126.5°144.8°
CAZCAICALHAI180.0°179.7°
CAZCAICALHAL179.4°179.7°
CAICAZCAJHAJ179.0°179.9°
CAUNBFCAPCAQ117.8°123.9°
CAUNBFCAPCAR177.0°176.8°
CAUNBFCAQCAS176.3°176.8°
NBFCAUHAU1HAU2116.4°120.0°
CAUNBFCAPHAP163.1°56.9°
CAUNBFCAPHAP257.1°63.2°
CAUNBFCAQHAQ164.4°63.3°
CAUNBFCAQHAQ257.0°56.8°
NBFCAPCARHAP1119.9°120.0°
NBFCAPCARHAP2119.9°120.0°
NBFCAPCARNBG56.3°58.4°
CAPNBFCAQCAS66.0°59.4°
CAPNBFCAUHAU143.2°44.1°
CAPNBFCAUHAU274.4°75.9°
NBFCAPHAP1HAP2120.3°120.1°
CAPNBFCAQHAQ153.3°60.6°
CAPNBFCAQHAQ2174.7°179.3°
NBFCAPCARHAR163.3°61.6°
NBFCAPCARHAR2176.0°178.3°
CAQNBFCAPCAR59.3°59.3°
NBFCAQCASNBG70.7°58.4°
NBFCAQCASHAQ1119.2°120.0°
NBFCAQCASHAQ2119.3°120.0°
CAQNBFCAUHAU1162.3°167.9°
CAQNBFCAUHAU244.6°47.9°
CAQNBFCAPHAP1179.2°179.3°
CAQNBFCAPHAP260.6°60.6°
NBFCAQHAQ1HAQ2122.1°120.1°
NBFCAQCASHAS148.4°61.6°
NBFCAQCASHAS2170.2°178.3°
CAPCARNBGHAR1119.6°120.0°
CAPCARNBGHAR2119.6°120.0°
CAPCARNBGCAS64.4°59.3°
CAPCARNBGCBD169.8°176.8°
CARCAPHAP1HAP2120.3°120.1°
CAPCARHAR1HAR2121.2°120.1°
CARNBGCASCBD129.5°123.9°
CARNBGCASCAQ72.0°59.3°
CARNBGCBDNAV150.7°0.0°
CARNBGCBDCAH32.8°179.8°
NBGCARCAPHAP1176.2°178.4°
NBGCARCAPHAP263.6°61.5°
NBGCARHAR1HAR2121.1°120.0°
CARNBGCASHAS147.1°60.7°
CARNBGCASHAS2168.9°179.3°
NBGCASCAQHAS1119.1°119.9°
NBGCASCAQHAS2119.1°120.0°
CASNBGCBDNAV26.2°123.8°
CASNBGCBDCAH157.4°56.4°
NBGCASCAQHAQ148.5°61.6°
NBGCASCAQHAQ2170.0°178.4°
CASNBGCARHAR155.2°60.7°
CASNBGCARHAR2175.9°179.3°
NBGCASHAS1HAS2122.5°120.0°
CBDNBGCASCAQ158.5°176.8°
NBGCBDNAVCAH176.6°179.8°
NBGCBDNAVCAG179.2°180.0°
NBGCBDCAHCAF179.0°179.7°
CBDNBGCARHAR170.6°63.2°
CBDNBGCARHAR250.1°56.8°
CBDNBGCASHAS182.4°63.2°
CBDNBGCASHAS239.4°56.8°
NBGCBDCAHHAH1.0°0.0°
CASCAQHAQ1HAQ2122.2°120.0°
CAQCASHAS1HAS2122.5°120.1°
CBDNAVCAGCAE0.5°0.1°
NAVCBDCAHCAF2.5°0.5°
NAVCBDCAHHAH177.4°179.7°
CBDNAVCAGHAG179.5°180.0°
CAHCBDNAVCAG2.7°0.2°
CBDCAHCAFCAE0.3°0.5°
CBDCAHCAFHAH180.0°179.7°
CBDCAHCAFHAF179.7°179.7°
NAVCAGCAEHAG180.0°179.9°
NAVCAGCAECAF1.8°0.1°
NAVCAGCAEHAE178.2°179.9°
CAGCAECAFHAE180.0°179.9°
CAGCAECAFCAH1.8°0.2°
CAGCAECAFHAF178.2°180.0°
CAECAFCAHHAF180.0°179.7°
CAECAFCAHHAH179.7°179.7°
CAFCAECAGHAG178.2°180.0°
CAHCAFCAEHAE178.2°179.7°
HAWNAWCAAHAA10.0°120.0°
HAWNAWCAAHAA2120.0°120.1°
HAWNAWCAAHAA3120.0°0.0°
HAA1CAAHAA2HAA3120.0°119.9°
HAKCAKCANHAN0.0°0.0°
HAMCAMCAJHAJ0.5°0.0°
HALCALCAIHAI0.6°0.0°
HAP1CAPCARHAR156.6°58.4°
HAP1CAPCARHAR264.1°61.7°
HAP2CAPCARHAR1176.8°178.5°
HAP2CAPCARHAR256.1°58.4°
HAQ1CAQCASHAS1167.7°178.5°
HAQ1CAQCASHAS270.6°58.4°
HAQ2CAQCASHAS170.8°58.4°
HAQ2CAQCASHAS250.9°61.7°
HAHCAHCAFHAF0.3°0.0°
HAGCAGCAEHAE1.8°0.1°
HAECAECAFHAF1.8°0.0°

246704

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