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ZVY

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CADNAAtrip1.14Å1.17Å
CAXOABsing1.34Å1.26Å
OABHOABsing0.97Å0.95Å
OACCAXdoub1.21Å1.25Å
CAYCADsing1.43Å1.29Å
CAFCAEdoub1.39Å1.40ÅAromatic
CAECAGsing1.38Å1.40ÅAromatic
CAEHAEsing1.08Å1.08Å
CAHCAFsing1.38Å1.41ÅAromatic
CAFHAFsing1.08Å1.08Å
NAVCAGdoub1.32Å1.35ÅAromatic
CAGHAGsing1.08Å1.08Å
CAHCBCdoub1.39Å1.41ÅAromatic
CAHHAHsing1.08Å1.08Å
CALCAIdoub1.38Å1.39ÅAromatic
CAICAYsing1.40Å1.37ÅAromatic
CAIHAIsing1.08Å1.08Å
CAMCAJsing1.38Å1.40ÅAromatic
CAYCAJdoub1.40Å1.38ÅAromatic
CAJHAJsing1.08Å1.08Å
CAZCAKdoub1.39Å1.39ÅAromatic
CAKCANsing1.38Å1.39ÅAromatic
CAKHAKsing1.08Å1.08Å
CALCBAsing1.40Å1.37ÅAromatic
CALHALsing1.08Å1.08Å
CBACAMdoub1.40Å1.37ÅAromatic
CAMHAMsing1.08Å1.08Å
CBDCANdoub1.39Å1.40ÅAromatic
CANHANsing1.08Å1.08Å
CAOCBBdoub1.38Å1.39ÅAromatic
CAOCAZsing1.39Å1.40ÅAromatic
CAOHAOsing1.08Å1.08Å
NBECAPsing1.47Å1.47Å
CAPCARsing1.53Å1.51Å
CAPHAPsing1.09Å1.10Å
CAPHAPAsing1.09Å1.10Å
CAQCASsing1.53Å1.53Å
CAQNBEsing1.47Å1.49Å
CAQHAQsing1.09Å1.10Å
CAQHAQAsing1.09Å1.10Å
NBFCARsing1.47Å1.46Å
CARHARsing1.09Å1.10Å
CARHARAsing1.09Å1.10Å
CASNBFsing1.47Å1.50Å
CASHASsing1.09Å1.10Å
CASHASAsing1.09Å1.10Å
CATCAXsing1.51Å1.51Å
CATOAWsing1.43Å1.43Å
CATHATsing1.09Å1.10Å
CATHATAsing1.09Å1.10Å
CAUNBEsing1.47Å1.45Å
CAUCBBsing1.51Å1.53Å
CAUHAUsing1.09Å1.10Å
CAUHAUAsing1.09Å1.10Å
CBCNAVsing1.32Å1.36ÅAromatic
OAWCAZsing1.36Å1.37Å
CBDCBAsing1.48Å1.40Å
CBBCBDsing1.39Å1.41ÅAromatic
NBFCBCsing1.39Å1.41Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NAACADCAY176.8°179.9°
CAXOABHOAB109.5°117.0°
OABCAXOAC122.3°120.0°
OABCAXCAT119.8°120.0°
OACCAXCAT117.9°120.0°
CADCAYCAI121.1°120.0°
CADCAYCAJ122.8°120.1°
CAFCAECAG120.2°119.3°
CAFCAEHAE119.9°120.3°
CAECAFCAH118.0°118.5°
CAECAFHAF121.0°120.7°
CAGCAEHAE119.9°120.4°
CAECAGNAV120.2°120.9°
CAECAGHAG120.0°119.5°
CAHCAFHAF121.0°120.8°
CAFCAHCBC120.7°119.1°
CAFCAHHAH119.6°120.4°
NAVCAGHAG119.9°119.6°
CAGNAVCBC122.2°121.6°
CBCCAHHAH119.6°120.5°
CAHCBCNAV118.6°120.6°
CAHCBCNBF122.3°119.7°
CALCAICAY121.2°120.0°
CALCAIHAI119.4°120.0°
CAICALCBA123.4°120.0°
CAICALHAL118.3°120.0°
CAYCAIHAI119.4°120.1°
CAICAYCAJ116.1°119.9°
CAMCAJCAY122.1°120.0°
CAMCAJHAJ119.0°120.1°
CAJCAMCBA122.0°120.0°
CAJCAMHAM119.0°120.0°
CAYCAJHAJ119.0°120.0°
CAZCAKCAN119.5°120.1°
CAZCAKHAK120.2°119.9°
CAKCAZCAO119.6°120.1°
CAKCAZOAW119.1°119.9°
CANCAKHAK120.2°119.9°
CAKCANCBD121.6°119.9°
CAKCANHAN119.2°120.1°
CBACALHAL118.3°120.0°
CALCBACAM115.2°120.1°
CALCBACBD122.3°119.9°
CBACAMHAM119.0°120.0°
CAMCBACBD122.5°120.0°
CBDCANHAN119.2°120.0°
CANCBDCBA118.5°120.0°
CANCBDCBB118.8°119.9°
CBBCAOCAZ121.1°120.1°
CBBCAOHAO119.4°120.0°
CAOCBBCAU119.8°120.0°
CAOCBBCBD119.4°120.0°
CAZCAOHAO119.5°120.0°
CAOCAZOAW121.4°120.0°
NBECAPCAR105.1°109.4°
NBECAPHAP110.5°109.5°
NBECAPHAPA110.6°109.6°
CAPNBECAQ112.3°110.9°
CAPNBECAU110.8°111.0°
CARCAPHAP110.6°109.5°
CARCAPHAPA110.6°109.5°
CAPCARNBF105.9°109.3°
CAPCARHAR110.4°109.5°
CAPCARHARA110.4°109.5°
HAPCAPHAPA109.5°109.4°
CASCAQNBE109.8°109.4°
CASCAQHAQ109.4°109.5°
CASCAQHAQA109.4°109.5°
CAQCASNBF109.3°109.4°
CAQCASHAS109.5°109.5°
CAQCASHASA109.5°109.5°
NBECAQHAQ109.4°109.4°
NBECAQHAQA109.4°109.5°
CAQNBECAU107.2°111.0°
HAQCAQHAQA109.5°109.6°
NBFCARHAR110.4°109.5°
NBFCARHARA110.4°109.6°
CARNBFCAS112.6°110.9°
CARNBFCBC110.6°110.9°
HARCARHARA109.4°109.5°
NBFCASHAS109.5°109.5°
NBFCASHASA109.5°109.6°
CASNBFCBC115.9°111.0°
HASCASHASA109.5°109.5°
CAXCATOAW111.8°109.5°
CAXCATHAT108.9°109.4°
CAXCATHATA108.9°109.5°
OAWCATHAT108.9°109.5°
OAWCATHATA108.9°109.5°
CATOAWCAZ120.6°117.0°
HATCATHATA109.5°109.5°
NBECAUCBB116.2°109.5°
NBECAUHAU107.8°109.5°
NBECAUHAUA107.8°109.5°
CBBCAUHAU107.8°109.4°
CBBCAUHAUA107.8°109.5°
CAUCBBCBD120.8°120.0°
HAUCAUHAUA109.5°109.5°
NAVCBCNBF119.1°119.7°
CBACBDCBB122.7°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NAACADCAYCAI73.2°180.0°
NAACADCAYCAJ106.0°0.1°
OABCAXOACCAT179.9°180.0°
OABCAXCATOAW6.0°180.0°
OABCAXCATHAT126.4°60.0°
OABCAXCATHATA114.3°60.0°
HOABOABCAXOAC0.0°0.0°
HOABOABCAXCAT179.9°180.0°
OACCAXCATOAW174.0°0.0°
OACCAXCATHAT53.7°120.0°
OACCAXCATHATA65.6°120.0°
CADCAYCAICAL178.9°179.7°
CADCAYCAICAJ179.2°179.9°
CADCAYCAIHAI1.1°0.0°
CADCAYCAJCAM179.2°179.5°
CADCAYCAJHAJ0.8°0.1°
CAFCAECAGHAE180.0°179.7°
CAECAFCAHHAF180.0°180.0°
CAFCAECAGNAV0.5°0.3°
CAFCAECAGHAG179.5°179.8°
CAECAFCAHCBC0.2°0.0°
CAECAFCAHHAH179.8°180.0°
CAGCAECAFCAH1.2°0.0°
CAGCAECAFHAF178.8°180.0°
CAECAGNAVHAG180.0°179.9°
CAECAGNAVCBC1.5°0.6°
HAECAECAFCAH178.8°179.7°
HAECAECAFHAF1.2°0.3°
HAECAECAGNAV179.6°180.0°
HAECAECAGHAG0.5°0.1°
CAFCAHCBCHAH180.0°180.0°
CAFCAHCBCNAV1.7°0.3°
CAFCAHCBCNBF179.0°180.0°
HAFCAFCAHCBC179.8°180.0°
HAFCAFCAHHAH0.2°0.0°
CAGNAVCBCCAH2.6°0.6°
CAGNAVCBCNBF179.9°179.7°
HAGCAGNAVCBC178.5°179.5°
CAHCBCNBFCAR158.9°56.2°
CAHCBCNBFCAS29.3°180.0°
CAHCBCNAVNBF177.4°179.7°
HAHCAHCBCNAV178.3°179.7°
HAHCAHCBCNBF1.0°0.0°
CALCAICAYHAI180.0°179.7°
CALCAICAYCAJ0.3°0.2°
CAICALCBAHAL180.0°180.0°
CAICALCBACAM0.7°0.1°
CAICALCBACBD179.4°180.0°
CAICAYCAJCAM0.0°0.5°
CAICAYCAJHAJ180.0°179.9°
CAYCAICALCBA0.7°0.1°
CAYCAICALHAL179.3°180.0°
HAICAICAYCAJ179.7°180.0°
HAICAICALCBA179.3°179.7°
HAICAICALHAL0.7°0.3°
CAMCAJCAYHAJ180.0°179.6°
CAJCAMCBACAL0.3°0.1°
CAJCAMCBAHAM180.0°179.9°
CAJCAMCBACBD179.8°179.8°
CAYCAJCAMCBA0.0°0.4°
CAYCAJCAMHAM180.0°179.5°
HAJCAJCAMCBA180.0°180.0°
HAJCAJCAMHAM0.0°0.1°
CAZCAKCANHAK180.0°179.7°
CAZCAKCANCBD0.4°0.3°
CAZCAKCANHAN179.7°179.7°
CAKCAZCAOCBB0.6°0.5°
CAKCAZCAOOAW179.5°180.0°
CAKCAZCAOHAO179.4°179.8°
CAKCAZOAWCAT152.5°0.0°
CAKCANCBDHAN180.0°180.0°
CANCAKCAZCAO0.4°0.0°
CANCAKCAZOAW179.9°180.0°
CAKCANCBDCBA179.8°179.5°
CAKCANCBDCBB0.5°0.1°
HAKCAKCANCBD179.7°180.0°
HAKCAKCANHAN0.3°0.0°
HAKCAKCAZCAO179.6°179.7°
HAKCAKCAZOAW0.1°0.3°
CALCBACAMCBD179.9°179.9°
CALCBACAMHAM179.7°179.8°
CALCBACBDCAN178.7°57.0°
CALCBACBDCBB0.6°122.5°
HALCALCBACAM179.3°179.9°
HALCALCBACBD0.6°0.0°
CAMCBACBDCAN1.2°122.9°
CAMCBACBDCBB179.5°57.5°
HAMCAMCBACBD0.2°0.3°
CANCBDCBBCAO0.6°0.4°
CANCBDCBBCAU179.2°179.8°
CANCBDCBACBB179.4°179.6°
HANCANCBDCBA0.2°0.5°
HANCANCBDCBB179.6°179.9°
CBBCAOCAZHAO180.0°179.3°
CAOCBBCAUNBE42.2°106.4°
CAOCBBCAUCBD178.6°179.3°
CAOCBBCAUHAU163.1°133.6°
CAOCBBCAUHAUA78.8°13.6°
CBBCAOCAZOAW179.9°179.5°
CAOCBBCBDCBA179.9°180.0°
CAOCAZOAWCAT27.0°180.0°
CAZCAOCBBCAU179.3°180.0°
CAZCAOCBBCBD0.6°0.7°
HAOCAOCBBCAU0.7°0.6°
HAOCAOCAZOAW0.1°0.2°
HAOCAOCBBCBD179.3°180.0°
NBECAPCARHAP119.3°120.0°
NBECAPCARHAPA119.3°120.1°
NBECAPHAPHAPA122.0°120.1°
CAPNBECAQCAS56.9°59.3°
CAPNBECAQCAU121.9°123.8°
CAPNBECAQHAQ63.1°60.6°
CAPNBECAQHAQA177.0°179.3°
NBECAPCARNBF67.7°58.4°
NBECAPCARHAR172.9°178.4°
NBECAPCARHARA51.8°61.6°
CAPNBECAUCBB65.6°71.9°
CAPNBECAUHAU55.4°168.2°
CAPNBECAUHAUA173.5°48.2°
CARCAPHAPHAPA122.0°120.0°
CARCAPNBECAQ66.1°59.4°
CAPCARNBFHAR119.4°119.9°
CAPCARNBFHARA119.5°119.9°
CAPCARHARHARA121.7°120.0°
CAPCARNBFCAS65.6°59.3°
CARCAPNBECAU174.1°176.8°
CAPCARNBFCBC163.1°176.8°
HAPCAPNBECAQ53.2°179.3°
HAPCAPCARNBF51.6°178.4°
HAPCAPCARHAR67.8°61.6°
HAPCAPCARHARA171.0°58.4°
HAPCAPNBECAU66.6°56.9°
HAPACAPNBECAQ174.6°60.7°
HAPACAPCARNBF173.0°61.6°
HAPACAPCARHAR53.6°58.3°
HAPACAPCARHARA67.6°178.4°
HAPACAPNBECAU54.8°63.2°
CASCAQNBEHAQ120.0°119.9°
CASCAQNBEHAQA120.1°120.0°
CASCAQHAQHAQA119.9°120.1°
CAQCASNBFCAR55.7°59.3°
CAQCASNBFHAS120.0°119.9°
CAQCASNBFHASA120.0°120.0°
CAQCASHASHASA120.1°120.0°
CASCAQNBECAU178.8°176.8°
CAQCASNBFCBC175.6°176.8°
NBECAQHAQHAQA119.9°120.1°
NBECAQCASNBF48.6°58.4°
NBECAQCASHAS71.4°61.6°
NBECAQCASHASA168.5°178.4°
CAQNBECAUCBB171.6°164.4°
CAQNBECAUHAU67.5°44.4°
CAQNBECAUHAUA50.6°75.6°
HAQCAQCASNBF71.5°61.5°
HAQCAQCASHAS168.6°178.5°
HAQCAQCASHASA48.5°58.5°
HAQCAQNBECAU58.8°63.2°
HAQACAQCASNBF168.6°178.3°
HAQACAQCASHAS48.7°58.4°
HAQACAQCASHASA71.4°61.7°
HAQACAQNBECAU61.1°56.9°
NBFCARHARHARA121.6°120.2°
CARNBFCASCBC128.6°123.8°
CARNBFCASHAS64.2°60.6°
CARNBFCASHASA175.7°179.3°
CARNBFCBCNAV23.8°123.5°
HARCARNBFCAS175.0°179.3°
HARCARNBFCBC43.6°56.9°
HARACARNBFCAS53.9°60.6°
HARACARNBFCBC77.5°63.3°
NBFCASHASHASA120.1°120.1°
CASNBFCBCNAV153.4°0.3°
HASCASNBFCBC64.4°63.3°
HASACASNBFCBC55.7°56.9°
CAXCATOAWHAT120.3°120.0°
CAXCATOAWHATA120.4°120.0°
CAXCATHATHATA119.0°120.0°
CAXCATOAWCAZ88.5°180.0°
OAWCATHATHATA118.9°120.0°
HATCATOAWCAZ31.8°60.0°
HATACATOAWCAZ151.1°60.0°
NBECAUCBBHAU121.0°120.0°
NBECAUCBBHAUA121.0°120.0°
NBECAUHAUHAUA117.0°120.0°
NBECAUCBBCBD139.2°74.3°
CBBCAUHAUHAUA116.9°120.0°
CAUCBBCBDCBA1.5°0.7°
HAUCAUCBBCBD18.3°45.7°
HAUACAUCBBCBD99.8°165.7°

222926

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