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PXN

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAFCAAsing1.53Å1.50Å
CAAHAAsing1.09Å1.10Å
CAAHAAAsing1.09Å1.10Å
CAAHAABsing1.09Å1.10Å
CAICABsing1.53Å1.51Å
CABHABsing1.09Å1.10Å
CABHABAsing1.09Å1.10Å
CABHABBsing1.09Å1.10Å
CAMCACsing1.53Å1.53Å
OADCACsing1.43Å1.41Å
CACHACsing1.09Å1.10Å
CACHACAsing1.09Å1.10Å
OADCAEsing1.43Å1.40Å
CAECAFsing1.53Å1.51Å
CAEHAEsing1.09Å1.10Å
CAEHAEAsing1.09Å1.10Å
CAFOAGsing1.43Å1.38Å
CAFHAFsing1.09Å1.10Å
OAGHOAGsing0.97Å0.95Å
OAHCAIsing1.43Å1.38Å
OAHHOAHsing0.97Å0.95Å
CAICAJsing1.53Å1.52Å
CAIHAIsing1.09Å1.10Å
CAJOAKsing1.43Å1.41Å
CAJHAJsing1.09Å1.10Å
CAJHAJAsing1.09Å1.10Å
OAKCALsing1.43Å1.41Å
CALCAMsing1.53Å1.52Å
CALHALsing1.09Å1.10Å
CALHALAsing1.09Å1.10Å
CAMCAWsing1.53Å1.52Å
CAMCANsing1.53Å1.52Å
OAOCANsing1.43Å1.40Å
CANHANsing1.09Å1.10Å
CANHANAsing1.09Å1.10Å
OAOCAPsing1.43Å1.41Å
CAQCAPsing1.53Å1.51Å
CAPHAPsing1.09Å1.10Å
CAPHAPAsing1.09Å1.10Å
CAXCAQsing1.53Å1.52Å
CAQOARsing1.43Å1.38Å
CAQHAQsing1.09Å1.10Å
OARHOARsing0.97Å0.95Å
OASCATsing1.43Å1.39Å
OASHOASsing0.97Å0.95Å
CAUCATsing1.53Å1.52Å
CATCAYsing1.53Å1.50Å
CATHATsing1.09Å1.10Å
OAVCAUsing1.43Å1.41Å
CAUHAUsing1.09Å1.10Å
CAUHAUAsing1.09Å1.10Å
OAVCAWsing1.43Å1.41Å
CAWHAWsing1.09Å1.10Å
CAWHAWAsing1.09Å1.10Å
CAXHAXsing1.09Å1.10Å
CAXHAXAsing1.09Å1.10Å
CAXHAXBsing1.09Å1.10Å
CAYHAYsing1.09Å1.10Å
CAYHAYAsing1.09Å1.10Å
CAYHAYBsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAFCAAHAA109.5°109.4°
CAFCAAHAAA109.5°109.5°
CAFCAAHAAB109.5°109.5°
CAACAFCAE114.0°109.5°
CAACAFOAG113.3°109.5°
CAACAFHAF104.9°109.4°
HAACAAHAAA109.5°109.4°
HAACAAHAAB109.4°109.5°
HAAACAAHAAB109.5°109.5°
CAICABHAB109.5°109.4°
CAICABHABA109.5°109.5°
CAICABHABB109.5°109.5°
CABCAIOAH113.2°109.5°
CABCAICAJ113.3°109.5°
CABCAIHAI105.7°109.5°
HABCABHABA109.5°109.4°
HABCABHABB109.4°109.5°
HABACABHABB109.5°109.5°
CAMCACOAD116.7°109.5°
CAMCACHAC107.1°109.4°
CAMCACHACA107.1°109.5°
CACCAMCAL109.6°109.5°
CACCAMCAW108.2°109.5°
CACCAMCAN109.8°109.4°
OADCACHAC107.1°109.5°
OADCACHACA107.1°109.5°
CACOADCAE120.7°114.0°
HACCACHACA111.7°109.4°
OADCAECAF116.7°109.5°
OADCAEHAE107.1°109.5°
OADCAEHAEA107.1°109.5°
CAFCAEHAE107.1°109.5°
CAFCAEHAEA107.1°109.4°
CAECAFOAG113.4°109.5°
CAECAFHAF104.6°109.5°
HAECAEHAEA111.7°109.5°
OAGCAFHAF105.5°109.5°
CAFOAGHOAG109.5°114.0°
CAIOAHHOAH109.5°114.0°
OAHCAICAJ114.1°109.4°
OAHCAIHAI104.8°109.5°
CAJCAIHAI104.7°109.4°
CAICAJOAK116.4°109.5°
CAICAJHAJ107.2°109.5°
CAICAJHAJA107.2°109.5°
OAKCAJHAJ107.2°109.5°
OAKCAJHAJA107.2°109.4°
CAJOAKCAL120.1°114.0°
HAJCAJHAJA111.6°109.5°
OAKCALCAM117.4°109.5°
OAKCALHAL106.9°109.5°
OAKCALHALA106.9°109.5°
CAMCALHAL106.9°109.5°
CAMCALHALA106.9°109.4°
CALCAMCAW110.0°109.5°
CALCAMCAN109.4°109.5°
HALCALHALA111.9°109.5°
CAWCAMCAN109.7°109.4°
CAMCAWOAV120.4°109.5°
CAMCAWHAW106.0°109.5°
CAMCAWHAWA106.0°109.5°
CAMCANOAO117.1°109.5°
CAMCANHAN107.0°109.5°
CAMCANHANA107.0°109.5°
OAOCANHAN107.0°109.4°
OAOCANHANA107.0°109.5°
CANOAOCAP119.6°114.0°
HANCANHANA111.9°109.5°
OAOCAPCAQ117.9°109.5°
OAOCAPHAP106.8°109.5°
OAOCAPHAPA106.8°109.5°
CAQCAPHAP106.8°109.5°
CAQCAPHAPA106.8°109.5°
CAPCAQCAX114.7°109.5°
CAPCAQOAR111.7°109.5°
CAPCAQHAQ105.8°109.5°
HAPCAPHAPA112.0°109.4°
CAXCAQOAR114.0°109.4°
CAXCAQHAQ103.0°109.5°
CAQCAXHAX109.5°109.5°
CAQCAXHAXA109.5°109.5°
CAQCAXHAXB109.5°109.4°
OARCAQHAQ106.6°109.5°
CAQOARHOAR109.5°114.0°
CATOASHOAS109.5°114.0°
OASCATCAU114.7°109.5°
OASCATCAY113.5°109.5°
OASCATHAT104.3°109.4°
CAUCATCAY114.1°109.5°
CAUCATHAT103.5°109.5°
CATCAUOAV119.1°109.5°
CATCAUHAU106.4°109.4°
CATCAUHAUA106.4°109.5°
CAYCATHAT105.2°109.5°
CATCAYHAY109.5°109.5°
CATCAYHAYA109.5°109.5°
CATCAYHAYB109.5°109.5°
OAVCAUHAU106.4°109.5°
OAVCAUHAUA106.4°109.5°
CAUOAVCAW118.9°114.0°
HAUCAUHAUA112.3°109.5°
OAVCAWHAW106.0°109.5°
OAVCAWHAWA106.0°109.4°
HAWCAWHAWA112.7°109.5°
HAXCAXHAXA109.4°109.5°
HAXCAXHAXB109.4°109.5°
HAXACAXHAXB109.5°109.5°
HAYCAYHAYA109.4°109.5°
HAYCAYHAYB109.5°109.5°
HAYACAYHAYB109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAFCAAHAAHAAA120.0°120.0°
CAFCAAHAAHAAB120.0°120.0°
CAFCAAHAAAHAAB120.0°120.1°
CAACAFCAEOAD15.7°175.0°
CAACAFCAEOAG131.6°120.0°
CAACAFCAEHAF114.0°120.0°
CAACAFCAEHAE104.3°54.9°
CAACAFCAEHAEA135.7°65.0°
CAACAFOAGHAF114.1°119.9°
CAACAFOAGHOAG180.0°60.0°
HAACAAHAAAHAAB120.0°120.0°
HAACAACAFCAE180.0°60.0°
HAACAACAFOAG48.3°60.0°
HAACAACAFHAF66.2°180.0°
HAAACAACAFCAE60.0°180.0°
HAAACAACAFOAG168.3°60.0°
HAAACAACAFHAF53.8°60.0°
HAABCAACAFCAE60.0°59.9°
HAABCAACAFOAG71.7°180.0°
HAABCAACAFHAF173.8°60.1°
CAICABHABHABA120.0°120.0°
CAICABHABHABB120.0°120.0°
CAICABHABAHABB120.0°120.1°
CABCAIOAHCAJ131.4°120.0°
CABCAIOAHHAI114.7°120.1°
CABCAIOAHHOAH180.0°60.1°
CABCAICAJHAI114.7°120.0°
CABCAICAJOAK21.4°55.0°
CABCAICAJHAJ98.6°175.0°
CABCAICAJHAJA141.4°65.0°
HABCABHABAHABB120.0°120.0°
HABCABCAIOAH180.0°60.0°
HABCABCAICAJ48.2°180.0°
HABCABCAIHAI65.9°60.0°
HABACABCAIOAH60.0°59.9°
HABACABCAICAJ168.2°60.0°
HABACABCAIHAI54.1°180.0°
HABBCABCAIOAH60.0°180.0°
HABBCABCAICAJ71.8°60.0°
HABBCABCAIHAI174.1°59.9°
CAMCACOADHAC120.0°120.0°
CAMCACOADHACA120.0°120.1°
CAMCACHACHACA117.0°120.0°
CAMCACOADCAE167.5°180.0°
CACCAMCALOAK73.5°180.0°
CACCAMCALCAW118.9°120.1°
CACCAMCALCAN120.5°120.0°
CACCAMCALHAL166.5°59.9°
CACCAMCALHALA46.5°60.1°
CACCAMCAWCAN119.8°119.9°
CACCAMCANOAO177.6°60.0°
CACCAMCANHAN62.4°60.0°
CACCAMCANHANA57.6°180.0°
CACCAMCAWOAV133.8°60.0°
CACCAMCAWHAW13.8°179.9°
CACCAMCAWHAWA106.2°59.9°
OADCACHACHACA117.0°120.0°
CACOADCAECAF96.4°180.0°
CACOADCAEHAE143.7°60.0°
CACOADCAEHAEA23.7°60.1°
OADCACCAMCAL80.0°180.0°
OADCACCAMCAW40.0°59.9°
OADCACCAMCAN159.8°60.0°
HACCACOADCAE72.5°60.0°
HACCACCAMCAL40.0°60.0°
HACCACCAMCAW160.0°60.1°
HACCACCAMCAN80.3°180.0°
HACACACOADCAE47.5°59.9°
HACACACCAMCAL160.0°59.9°
HACACACCAMCAW80.0°180.0°
HACACACCAMCAN39.7°60.1°
OADCAECAFHAE120.0°120.0°
OADCAECAFHAEA120.0°120.0°
OADCAEHAEHAEA117.0°120.0°
OADCAECAFOAG147.3°65.0°
OADCAECAFHAF98.3°55.0°
CAFCAEHAEHAEA117.0°120.0°
CAECAFOAGHAF113.9°120.0°
CAECAFOAGHOAG48.1°60.0°
HAECAECAFOAG27.3°175.0°
HAECAECAFHAF141.7°65.0°
HAEACAECAFOAG92.7°55.0°
HAEACAECAFHAF21.7°175.0°
HAFCAFOAGHOAG65.8°180.0°
OAHCAICAJHAI113.9°120.0°
OAHCAICAJOAK152.8°65.0°
OAHCAICAJHAJ32.8°55.0°
OAHCAICAJHAJA87.2°175.0°
HOAHOAHCAICAJ48.5°179.9°
HOAHOAHCAIHAI65.3°60.0°
CAICAJOAKHAJ120.0°120.1°
CAICAJOAKHAJA120.0°120.0°
CAICAJHAJHAJA117.2°120.0°
CAICAJOAKCAL172.6°180.0°
HAICAICAJOAK93.3°175.0°
HAICAICAJHAJ146.7°64.9°
HAICAICAJHAJA26.7°55.1°
OAKCAJHAJHAJA117.1°120.0°
CAJOAKCALCAM139.3°180.0°
CAJOAKCALHAL19.3°60.0°
CAJOAKCALHALA100.7°60.0°
HAJCAJOAKCAL52.6°60.0°
HAJACAJOAKCAL67.4°60.0°
OAKCALCAMHAL120.0°120.0°
OAKCALCAMHALA120.0°120.0°
OAKCALHALHALA116.7°120.0°
OAKCALCAMCAW167.6°60.0°
OAKCALCAMCAN47.0°60.0°
CAMCALHALHALA116.8°120.0°
CALCAMCAWCAN120.4°120.0°
CALCAMCANOAO57.2°60.0°
CALCAMCANHAN177.2°180.0°
CALCAMCANHANA62.8°60.0°
CALCAMCAWOAV14.0°60.0°
CALCAMCAWHAW106.0°60.0°
CALCAMCAWHAWA134.0°180.0°
HALCALCAMCAW47.6°180.0°
HALCALCAMCAN73.0°60.0°
HALACALCAMCAW72.4°60.0°
HALACALCAMCAN167.0°180.0°
CAWCAMCANOAO63.5°180.0°
CAWCAMCANHAN56.5°60.0°
CAWCAMCANHANA176.5°60.0°
CAMCAWOAVCAU146.8°180.0°
CAMCAWOAVHAW120.0°120.0°
CAMCAWOAVHAWA120.0°120.0°
CAMCAWHAWHAWA115.5°120.0°
CAMCANOAOHAN120.0°120.0°
CAMCANOAOHANA120.0°120.0°
CAMCANHANHANA116.9°120.0°
CAMCANOAOCAP155.4°180.0°
CANCAMCAWOAV106.4°180.0°
CANCAMCAWHAW133.6°60.0°
CANCAMCAWHAWA13.6°60.0°
OAOCANHANHANA116.9°120.0°
CANOAOCAPCAQ117.5°180.0°
CANOAOCAPHAP122.5°60.0°
CANOAOCAPHAPA2.5°60.0°
HANCANOAOCAP35.4°60.0°
HANACANOAOCAP84.7°60.0°
OAOCAPCAQHAP120.0°120.0°
OAOCAPCAQHAPA120.0°120.0°
OAOCAPHAPHAPA116.5°120.0°
OAOCAPCAQCAX67.9°55.0°
OAOCAPCAQOAR160.4°64.9°
OAOCAPCAQHAQ44.8°175.0°
CAQCAPHAPHAPA116.5°120.0°
CAPCAQCAXOAR130.6°120.0°
CAPCAQCAXHAQ114.4°120.0°
CAPCAQOARHAQ115.1°120.1°
CAPCAQOARHOAR180.0°180.0°
CAPCAQCAXHAX180.0°60.0°
CAPCAQCAXHAXA60.0°180.0°
CAPCAQCAXHAXB60.0°60.0°
HAPCAPCAQCAX52.1°175.0°
HAPCAPCAQOAR79.6°55.1°
HAPCAPCAQHAQ164.8°65.0°
HAPACAPCAQCAX172.1°65.0°
HAPACAPCAQOAR40.4°175.0°
HAPACAPCAQHAQ75.2°55.0°
CAXCAQOARHAQ112.9°120.0°
CAXCAQOARHOAR48.0°60.0°
CAQCAXHAXHAXA120.0°120.0°
CAQCAXHAXHAXB120.0°119.9°
CAQCAXHAXAHAXB120.0°120.0°
OARCAQCAXHAX49.4°60.0°
OARCAQCAXHAXA169.4°60.0°
OARCAQCAXHAXB70.6°180.0°
HAQCAQOARHOAR64.9°60.0°
HAQCAQCAXHAX65.6°180.0°
HAQCAQCAXHAXA54.4°60.0°
HAQCAQCAXHAXB174.4°60.0°
OASCATCAUCAY133.3°120.0°
OASCATCAUHAT113.0°119.9°
OASCATCAYHAT113.4°119.9°
OASCATCAUOAV158.2°65.0°
OASCATCAUHAU38.2°55.0°
OASCATCAUHAUA81.8°175.0°
OASCATCAYHAY180.0°60.0°
OASCATCAYHAYA60.0°180.0°
OASCATCAYHAYB60.0°60.0°
HOASOASCATCAU180.0°60.0°
HOASOASCATCAY46.3°60.0°
HOASOASCATHAT67.5°180.0°
CAUCATCAYHAT112.7°120.0°
CATCAUOAVHAU120.0°120.0°
CATCAUOAVHAUA120.0°120.0°
CATCAUHAUHAUA116.0°120.0°
CATCAUOAVCAW20.9°180.0°
CAUCATCAYHAY46.0°180.0°
CAUCATCAYHAYA73.9°60.0°
CAUCATCAYHAYB166.0°60.0°
CAYCATCAUOAV68.4°175.0°
CAYCATCAUHAU171.5°65.0°
CAYCATCAUHAUA51.6°55.0°
CATCAYHAYHAYA120.0°120.0°
CATCAYHAYHAYB120.0°120.0°
CATCAYHAYAHAYB120.0°120.0°
HATCATCAUOAV45.2°55.0°
HATCATCAUHAU74.8°175.0°
HATCATCAUHAUA165.3°65.0°
HATCATCAYHAY66.7°60.0°
HATCATCAYHAYA173.4°60.0°
HATCATCAYHAYB53.3°180.0°
OAVCAUHAUHAUA116.0°120.0°
CAUOAVCAWHAW26.7°60.0°
CAUOAVCAWHAWA93.2°60.0°
HAUCAUOAVCAW99.1°60.1°
HAUACAUOAVCAW140.9°60.0°
OAVCAWHAWHAWA115.5°119.9°
HAXCAXHAXAHAXB119.9°120.0°
HAYCAYHAYAHAYB120.0°120.0°

222926

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