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XEX

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CABCBFsing1.54Å1.55Å
NBECBFsing1.48Å1.47Å
CABFAAsing1.40Å1.40Å
CABFACsing1.40Å1.38Å
CABCBGsing1.54Å1.52Å
NBECBGsing1.48Å1.49Å
NBECAXsing1.47Å1.48Å
CAWCAXsing1.51Å1.44Å
CAWCAVdoub1.38Å1.40ÅAromatic
CAWCARsing1.39Å1.38ÅAromatic
CAVCAUsing1.38Å1.43ÅAromatic
CAUCATdoub1.38Å1.41ÅAromatic
CASCATsing1.39Å1.40ÅAromatic
CASOAZsing1.36Å1.36Å
CASCARdoub1.39Å1.40ÅAromatic
OAZCBAsing1.43Å1.47Å
CAROAYsing1.36Å1.35Å
CBBOAYsing1.43Å1.48Å
CBCCBBsing1.51Å1.55Å
CBCOBDdoub1.21Å1.23Å
CBCNADsing1.35Å1.35Å
CAENADsing1.47Å1.48Å
CAECAMsing1.53Å1.52Å
CAFCAEsing1.51Å1.44Å
CANCAMsing1.51Å1.54Å
CANOAPdoub1.21Å1.22Å
CANNAOsing1.35Å1.34Å
NAOCAQsing1.46Å1.48Å
CAFCAGdoub1.38Å1.38ÅAromatic
CAFCAKsing1.38Å1.40ÅAromatic
CAHCAGsing1.38Å1.42ÅAromatic
CAHBRALsing1.89Å2.03Å
CAHCAIdoub1.38Å1.39ÅAromatic
CAICAJsing1.38Å1.40ÅAromatic
CAJCAKdoub1.38Å1.43ÅAromatic
CBFHBGsing1.09Å1.10Å
CBFHBFsing1.09Å1.10Å
CBGHBHsing1.09Å1.10Å
CBGHBIsing1.09Å1.10Å
CAXHAYsing1.09Å1.10Å
CAXHAXsing1.09Å1.10Å
CAVHAVsing1.08Å1.08Å
CAUHAUsing1.08Å1.08Å
CATHATsing1.08Å1.08Å
CBAHBAsing1.09Å1.10Å
CBAHBBsing1.09Å1.10Å
CBAHBCsing1.09Å1.10Å
CBBHBEsing1.09Å1.10Å
CBBHBDsing1.09Å1.10Å
NADHADsing0.97Å1.00Å
CAEHAEsing1.09Å1.10Å
CAMHAMsing1.09Å1.10Å
CAMHANsing1.09Å1.10Å
NAOHAOsing0.97Å1.00Å
CAQHARsing1.09Å1.10Å
CAQHAQsing1.09Å1.10Å
CAQHASsing1.09Å1.10Å
CAGHAGsing1.08Å1.08Å
CAIHAIsing1.08Å1.08Å
CAJHAJsing1.08Å1.08Å
CAKHAKsing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CABCBFNBE86.4°86.3°
CBFCABFAA115.3°113.7°
CBFCABFAC118.3°113.7°
CBFCABCBG86.2°86.3°
CABCBFHBG114.9°113.7°
CABCBFHBF114.9°113.7°
CBFNBECBG89.8°90.7°
CBFNBECAX114.0°111.0°
NBECBFHBG114.9°113.7°
NBECBFHBF114.9°113.8°
FAACABFAC107.3°112.9°
FAACABCBG117.3°113.8°
FACCABCBG111.6°113.8°
CABCBGNBE86.7°86.2°
CABCBGHBH114.8°113.7°
CABCBGHBI114.8°113.7°
CBGNBECAX116.5°111.0°
NBECBGHBH114.8°113.7°
NBECBGHBI114.8°113.9°
NBECAXCAW110.5°109.4°
NBECAXHAY109.2°109.5°
NBECAXHAX109.2°109.5°
CAXCAWCAV116.5°120.0°
CAXCAWCAR124.8°120.0°
CAWCAXHAY109.2°109.4°
CAWCAXHAX109.2°109.5°
CAVCAWCAR118.7°120.0°
CAWCAVCAU119.1°120.1°
CAWCAVHAV120.4°120.0°
CAWCARCAS122.5°119.8°
CAWCAROAY122.5°120.0°
CAVCAUCAT121.5°120.2°
CAUCAVHAV120.4°119.9°
CAVCAUHAU119.3°120.0°
CAUCATCAS117.8°120.0°
CATCAUHAU119.2°119.9°
CAUCATHAT121.1°120.0°
CATCASOAZ125.1°120.0°
CATCASCAR120.3°119.9°
CASCATHAT121.1°120.0°
OAZCASCAR114.6°120.1°
CASOAZCBA116.5°117.0°
CASCAROAY115.0°120.1°
OAZCBAHBA109.5°109.5°
OAZCBAHBB109.5°109.5°
OAZCBAHBC109.4°109.5°
CAROAYCBB121.0°117.0°
OAYCBBCBC110.4°109.5°
OAYCBBHBE109.2°109.5°
OAYCBBHBD109.2°109.5°
CBBCBCOBD120.7°120.0°
CBBCBCNAD115.7°120.0°
CBCCBBHBE109.2°109.5°
CBCCBBHBD109.2°109.4°
OBDCBCNAD123.5°120.0°
CBCNADCAE120.6°120.1°
CBCNADHAD119.7°120.0°
NADCAECAM106.4°109.5°
NADCAECAF110.0°109.5°
CAENADHAD119.7°119.9°
NADCAEHAE110.2°109.4°
CAMCAECAF109.5°109.5°
CAECAMCAN116.5°109.4°
CAMCAEHAE109.7°109.5°
CAECAMHAM107.7°109.5°
CAECAMHAN107.7°109.5°
CAECAFCAG121.8°120.0°
CAECAFCAK118.6°120.0°
CAFCAEHAE110.9°109.5°
CAMCANOAP119.1°120.1°
CAMCANNAO118.4°120.0°
CANCAMHAM107.7°109.4°
CANCAMHAN107.7°109.5°
OAPCANNAO122.5°120.0°
CANNAOCAQ116.8°120.0°
CANNAOHAO121.6°120.0°
CAQNAOHAO121.6°120.0°
NAOCAQHAR109.5°109.5°
NAOCAQHAQ109.5°109.5°
NAOCAQHAS109.5°109.5°
CAGCAFCAK119.6°120.0°
CAFCAGCAH121.9°120.0°
CAFCAGHAG119.0°119.9°
CAFCAKCAJ119.8°120.0°
CAFCAKHAK120.1°120.1°
CAGCAHBRAL121.2°120.0°
CAGCAHCAI118.1°120.0°
CAHCAGHAG119.1°120.1°
BRALCAHCAI120.7°120.0°
CAHCAICAJ121.7°120.0°
CAHCAIHAI119.2°120.0°
CAICAJCAK118.9°120.0°
CAJCAIHAI119.1°120.0°
CAICAJHAJ120.5°120.1°
CAKCAJHAJ120.6°119.9°
CAJCAKHAK120.1°120.0°
HBGCBFHBF109.5°113.0°
HBHCBGHBI109.4°113.0°
HAYCAXHAX109.5°109.5°
HBACBAHBB109.5°109.4°
HBACBAHBC109.4°109.5°
HBBCBAHBC109.5°109.4°
HBECBBHBD109.4°109.5°
HAMCAMHAN109.5°109.5°
HARCAQHAQ109.5°109.5°
HARCAQHAS109.4°109.4°
HAQCAQHAS109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CABCBFNBEHBG115.8°114.3°
CABCBFNBEHBF115.8°114.3°
CBFCABFAAFAC134.2°131.5°
CBFCABFAACBG99.3°96.8°
CBFCABFACCBG97.7°96.8°
CBFCABCBGNBE23.9°23.6°
CABCBFNBECAX143.9°137.5°
CABCBFHBGHBF131.0°131.6°
CBFCABCBGHBH92.0°90.6°
CBFCABCBGHBI139.8°138.2°
NBECBFCABFAA142.7°138.1°
NBECBFCABFAC88.3°90.8°
CBFNBECBGCAX117.0°112.8°
CBFNBECAXCAW164.9°170.0°
NBECBFHBGHBF131.0°131.7°
CBFNBECBGHBH90.7°89.7°
CBFNBECBGHBI141.1°138.9°
CBFNBECAXHAY75.0°50.0°
CBFNBECAXHAX44.7°70.0°
FAACABFACCBG129.8°131.7°
FAACABCBGNBE140.5°138.0°
FAACABCBFHBG101.5°107.6°
FAACABCBFHBF26.9°23.7°
FAACABCBGHBH24.6°23.8°
FAACABCBGHBI103.6°107.5°
FACCABCBGNBE95.1°90.7°
FACCABCBFHBG27.5°23.5°
FACCABCBFHBF155.9°154.8°
FACCABCBGHBH149.0°155.1°
FACCABCBGHBI20.8°23.8°
CABCBGNBEHBH115.9°114.3°
CABCBGNBEHBI115.9°114.3°
CABCBGNBECAX142.2°137.4°
CBGCABCBFHBG140.1°138.0°
CBGCABCBFHBF91.5°90.7°
CABCBGHBHHBI130.8°131.6°
CBGNBECAXCAW62.2°90.7°
CBGNBECBFHBG140.5°138.9°
CBGNBECBFHBF91.1°89.7°
NBECBGHBHHBI130.8°131.8°
CBGNBECAXHAY177.6°149.3°
CBGNBECAXHAX58.0°29.2°
NBECAXCAWHAY120.1°120.0°
NBECAXCAWHAX120.2°120.0°
NBECAXCAWCAV30.3°100.0°
NBECAXCAWCAR150.2°79.7°
CAXNBECBFHBG100.3°108.2°
CAXNBECBFHBF28.1°23.2°
CAXNBECBGHBH26.2°23.1°
CAXNBECBGHBI101.9°108.2°
NBECAXHAYHAX119.5°120.0°
CAXCAWCAVCAR179.6°179.8°
CAXCAWCAVCAU178.7°180.0°
CAXCAWCARCAS179.7°179.7°
CAXCAWCAROAY1.8°0.0°
CAWCAXHAYHAX119.5°120.0°
CAXCAWCAVHAV1.3°0.1°
CAWCAVCAUHAV180.0°179.9°
CAWCAVCAUCAT1.4°0.0°
CAVCAWCARCAS0.1°0.6°
CAVCAWCAROAY177.8°179.8°
CAVCAWCAXHAY89.9°139.9°
CAVCAWCAXHAX150.4°19.9°
CAWCAVCAUHAU178.6°180.0°
CARCAWCAVCAU1.7°0.3°
CAWCARCASCAT1.9°0.6°
CAWCARCASOAZ179.2°179.7°
CAWCARCASOAY178.1°179.7°
CAWCAROAYCBB64.2°90.0°
CARCAWCAXHAY89.7°40.3°
CARCAWCAXHAX30.0°160.3°
CARCAWCAVHAV178.3°179.7°
CAVCAUCATHAU180.0°180.0°
CAVCAUCATCAS0.5°0.0°
CAVCAUCATHAT179.4°180.0°
CAUCATCASHAT180.0°180.0°
CAUCATCASOAZ179.2°180.0°
CAUCATCASCAR2.1°0.3°
CATCAUCAVHAV178.6°180.0°
CATCASOAZCAR177.2°179.7°
CATCASOAZCBA7.4°0.0°
CATCASCAROAY179.9°179.8°
CASCATCAUHAU179.5°180.0°
OAZCASCAROAY2.8°0.0°
OAZCASCATHAT0.8°0.0°
CASOAZCBAHBA180.0°180.0°
CASOAZCBAHBB60.0°60.0°
CASOAZCBAHBC60.0°59.9°
CARCASOAZCBA169.8°179.7°
CASCAROAYCBB113.8°89.7°
CARCASCATHAT177.8°179.7°
OAZCBAHBAHBB120.0°120.0°
OAZCBAHBAHBC120.0°120.1°
OAZCBAHBBHBC120.0°120.0°
CAROAYCBBCBC131.5°180.0°
CAROAYCBBHBE11.3°60.0°
CAROAYCBBHBD108.4°60.0°
OAYCBBCBCHBE120.1°120.1°
OAYCBBCBCHBD120.2°120.0°
OAYCBBCBCOBD177.2°0.0°
OAYCBBCBCNAD6.4°180.0°
OAYCBBHBEHBD119.6°120.0°
CBBCBCOBDNAD176.1°180.0°
CBBCBCNADCAE179.9°180.0°
CBCCBBHBEHBD119.6°119.9°
CBBCBCNADHAD0.1°0.0°
OBDCBCNADCAE3.6°0.0°
OBDCBCCBBHBE62.7°120.0°
OBDCBCCBBHBD57.0°120.0°
OBDCBCNADHAD176.4°180.0°
CBCNADCAEHAD180.0°180.0°
CBCNADCAECAM157.5°155.0°
CBCNADCAECAF84.0°85.0°
NADCBCCBBHBE113.7°59.9°
NADCBCCBBHBD126.6°60.0°
CBCNADCAEHAE38.6°35.0°
NADCAECAMCAF118.9°120.0°
NADCAECAMHAE119.2°120.0°
NADCAECAFHAE122.2°119.9°
NADCAECAMCAN173.6°65.0°
NADCAECAFCAG57.4°140.0°
NADCAECAFCAK124.5°40.3°
NADCAECAMHAM52.6°55.0°
NADCAECAMHAN65.4°175.0°
CAMCAECAFHAE121.2°120.0°
CAECAMCANHAM121.0°120.0°
CAECAMCANHAN121.0°120.0°
CAECAMCANOAP148.5°0.0°
CAECAMCANNAO34.1°180.0°
CAMCAECAFCAG59.3°100.0°
CAMCAECAFCAK118.9°79.7°
CAMCAENADHAD22.5°25.0°
CAECAMHAMHAN116.8°120.0°
CAFCAECAMCAN67.5°175.0°
CAECAFCAGCAK178.1°179.7°
CAECAFCAGCAH178.8°180.0°
CAECAFCAKCAJ178.5°179.7°
CAFCAENADHAD96.0°95.0°
CAFCAECAMHAM171.5°65.1°
CAFCAECAMHAN53.5°55.0°
CAECAFCAGHAG1.2°0.0°
CAECAFCAKHAK1.5°0.0°
CAMCANOAPNAO177.3°180.0°
CAMCANNAOCAQ175.3°179.9°
CANCAMCAEHAE54.5°55.0°
CANCAMHAMHAN116.8°120.0°
CAMCANNAOHAO4.7°0.0°
OAPCANNAOCAQ2.1°0.1°
OAPCANCAMHAM90.5°120.0°
OAPCANCAMHAN27.4°120.0°
OAPCANNAOHAO177.9°180.0°
CANNAOCAQHAO180.0°179.9°
NAOCANCAMHAM86.9°60.0°
NAOCANCAMHAN155.2°60.0°
CANNAOCAQHAR180.0°180.0°
CANNAOCAQHAQ60.0°60.0°
CANNAOCAQHAS60.0°60.1°
NAOCAQHARHAQ120.0°120.1°
NAOCAQHARHAS120.0°119.9°
NAOCAQHAQHAS120.0°120.0°
CAFCAGCAHHAG180.0°179.9°
CAFCAGCAHBRAL179.2°180.0°
CAFCAGCAHCAI0.5°0.0°
CAGCAFCAKCAJ0.3°0.6°
CAGCAFCAEHAE179.5°20.0°
CAGCAFCAKHAK179.7°179.7°
CAKCAFCAGCAH0.7°0.3°
CAFCAKCAJCAI0.2°0.6°
CAFCAKCAJHAK180.0°179.7°
CAKCAFCAEHAE2.3°160.3°
CAKCAFCAGHAG179.3°179.8°
CAFCAKCAJHAJ179.8°179.7°
CAGCAHBRALCAI179.7°180.0°
CAGCAHCAICAJ0.0°0.0°
CAGCAHCAIHAI180.0°180.0°
BRALCAHCAICAJ179.7°180.0°
BRALCAHCAGHAG0.8°0.1°
BRALCAHCAIHAI0.3°0.1°
CAHCAICAJHAI180.0°180.0°
CAHCAICAJCAK0.4°0.3°
CAICAHCAGHAG179.5°180.0°
CAHCAICAJHAJ179.6°180.0°
CAICAJCAKHAJ180.0°179.7°
CAICAJCAKHAK179.8°179.7°
CAKCAJCAIHAI179.6°179.7°
HAVCAVCAUHAU1.4°0.0°
HAUCAUCATHAT0.5°0.0°
HBACBAHBBHBC120.0°120.0°
HADNADCAEHAE141.4°145.0°
HAECAECAMHAM66.6°174.9°
HAECAECAMHAN175.5°65.0°
HAONAOCAQHAR0.0°0.1°
HAONAOCAQHAQ120.0°120.0°
HAONAOCAQHAS120.0°120.0°
HARCAQHAQHAS120.0°119.9°
HAICAICAJHAJ0.4°0.1°
HAJCAJCAKHAK0.2°0.0°

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