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A48

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CADCAEsing1.51Å1.54Å
CADHAD1sing1.09Å1.10Å
CADHAD2sing1.09Å1.10Å
CADHAD3sing1.09Å1.10Å
CAECAHsing1.39Å1.41ÅAromatic
CAECAAdoub1.38Å1.40ÅAromatic
CAACABsing1.38Å1.38ÅAromatic
CAAHAAsing1.08Å1.08Å
CABCAFdoub1.38Å1.37ÅAromatic
CABCACsing1.51Å1.51Å
CACHAC1sing1.09Å1.10Å
CACHAC2sing1.09Å1.10Å
CACHAC3sing1.09Å1.10Å
CAFCAIsing1.38Å1.39ÅAromatic
CAFHAFsing1.08Å1.08Å
CAICAJsing1.51Å1.52Å
CAICAHdoub1.39Å1.40ÅAromatic
CAJHAJ1sing1.09Å1.10Å
CAJHAJ2sing1.09Å1.10Å
CAJHAJ3sing1.09Å1.10Å
CAHBsing1.57Å1.43Å
BCAMsing1.57Å1.42Å
BNsing1.51Å1.41Å
NCAPsing1.40Å1.40Å
NCAWsing1.46Å1.55Å
CAWCBDsing1.53Å1.52Å
CAWHAW1sing1.09Å1.10Å
CAWHAW2sing1.09Å1.10Å
CBDFBFsing1.40Å1.33Å
CBDFBCsing1.40Å1.31Å
CBDFBEsing1.40Å1.33Å
CAPCAQdoub1.39Å1.40ÅAromatic
CAPCAXsing1.39Å1.40ÅAromatic
CAQCARsing1.38Å1.40ÅAromatic
CAQHAQsing1.08Å1.08Å
CARCAZdoub1.39Å1.39ÅAromatic
CARHARsing1.08Å1.08Å
CAZOBAsing1.36Å1.37Å
CAZCAYsing1.39Å1.40ÅAromatic
OBAHOBAsing0.97Å0.95Å
CAYCAXdoub1.38Å1.41ÅAromatic
CAYHAYsing1.08Å1.08Å
CAXHAXsing1.08Å1.08Å
CAMCALdoub1.39Å1.41ÅAromatic
CAMCAVsing1.39Å1.41ÅAromatic
CALCAKsing1.38Å1.40ÅAromatic
CALCAGsing1.51Å1.53Å
CAGHAG1sing1.09Å1.10Å
CAGHAG2sing1.09Å1.10Å
CAGHAG3sing1.09Å1.10Å
CAKCATdoub1.38Å1.39ÅAromatic
CAKHAKsing1.08Å1.08Å
CATCASsing1.51Å1.52Å
CATCAUsing1.38Å1.38ÅAromatic
CASHAS1sing1.09Å1.10Å
CASHAS2sing1.09Å1.10Å
CASHAS3sing1.09Å1.10Å
CAUCAVdoub1.38Å1.39ÅAromatic
CAUHAUsing1.08Å1.08Å
CAVCBBsing1.51Å1.53Å
CBBHBB1sing1.09Å1.10Å
CBBHBB2sing1.09Å1.10Å
CBBHBB3sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAECADHAD1109.5°109.4°
CAECADHAD2109.5°109.5°
CAECADHAD3109.4°109.4°
CADCAECAH122.2°120.1°
CADCAECAA116.7°120.0°
HAD1CADHAD2109.5°109.5°
HAD1CADHAD3109.4°109.5°
HAD2CADHAD3109.5°109.5°
CAHCAECAA121.1°119.9°
CAECAHCAI115.7°119.8°
CAECAHB125.1°120.1°
CAECAACAB120.7°120.1°
CAECAAHAA119.7°120.0°
CABCAAHAA119.6°119.9°
CAACABCAF119.3°120.2°
CAACABCAC122.8°119.9°
CAFCABCAC117.8°119.9°
CABCAFCAI120.5°120.1°
CABCAFHAF119.8°119.9°
CABCACHAC1109.5°109.5°
CABCACHAC2109.5°109.5°
CABCACHAC3109.5°109.5°
HAC1CACHAC2109.4°109.4°
HAC1CACHAC3109.4°109.4°
HAC2CACHAC3109.5°109.5°
CAICAFHAF119.7°120.0°
CAFCAICAJ115.8°120.1°
CAFCAICAH122.7°119.9°
CAJCAICAH121.5°120.0°
CAICAJHAJ1109.5°109.4°
CAICAJHAJ2109.5°109.5°
CAICAJHAJ3109.5°109.5°
CAICAHB119.2°120.1°
HAJ1CAJHAJ2109.4°109.5°
HAJ1CAJHAJ3109.5°109.4°
HAJ2CAJHAJ3109.5°109.5°
CAHBCAM115.4°120.0°
CAHBN116.6°120.0°
CAMBN128.0°120.0°
BCAMCAL122.5°120.1°
BCAMCAV120.4°120.1°
BNCAP118.6°120.0°
BNCAW111.1°120.0°
CAPNCAW130.2°120.0°
NCAPCAQ119.5°120.0°
NCAPCAX123.3°120.0°
NCAWCBD127.3°109.5°
NCAWHAW1103.9°109.5°
NCAWHAW299.8°109.5°
CBDCAWHAW1103.9°109.4°
CBDCAWHAW299.8°109.5°
CAWCBDFBF112.7°109.5°
CAWCBDFBC112.4°109.4°
CAWCBDFBE101.2°109.5°
HAW1CAWHAW2124.8°109.4°
FBFCBDFBC110.4°109.5°
FBFCBDFBE113.8°109.5°
FBCCBDFBE106.0°109.5°
CAQCAPCAX117.1°120.0°
CAPCAQCAR122.7°120.0°
CAPCAQHAQ118.7°120.1°
CAPCAXCAY120.7°119.9°
CAPCAXHAX119.7°120.0°
CARCAQHAQ118.7°120.0°
CAQCARCAZ119.9°120.0°
CAQCARHAR120.1°120.0°
CAZCARHAR120.1°120.0°
CARCAZOBA120.0°119.9°
CARCAZCAY118.4°120.0°
OBACAZCAY121.6°120.0°
CAZOBAHOBA109.5°114.0°
CAZCAYCAX121.2°120.1°
CAZCAYHAY119.4°120.0°
CAXCAYHAY119.4°120.0°
CAYCAXHAX119.7°120.0°
CALCAMCAV116.8°119.8°
CAMCALCAK121.0°119.9°
CAMCALCAG121.1°120.1°
CAMCAVCAU121.9°119.9°
CAMCAVCBB122.1°120.1°
CAKCALCAG117.9°120.0°
CALCAKCAT120.6°120.1°
CALCAKHAK119.7°119.9°
CALCAGHAG1109.5°109.5°
CALCAGHAG2109.4°109.4°
CALCAGHAG3109.5°109.4°
HAG1CAGHAG2109.5°109.5°
HAG1CAGHAG3109.5°109.5°
HAG2CAGHAG3109.5°109.5°
CATCAKHAK119.7°120.0°
CAKCATCAS120.5°119.9°
CAKCATCAU119.7°120.3°
CASCATCAU119.7°119.9°
CATCASHAS1109.5°109.4°
CATCASHAS2109.5°109.4°
CATCASHAS3109.5°109.5°
CATCAUCAV120.0°120.1°
CATCAUHAU120.0°119.9°
HAS1CASHAS2109.5°109.5°
HAS1CASHAS3109.4°109.5°
HAS2CASHAS3109.5°109.5°
CAVCAUHAU120.0°119.9°
CAUCAVCBB115.9°120.1°
CAVCBBHBB1109.5°109.5°
CAVCBBHBB2109.4°109.5°
CAVCBBHBB3109.5°109.4°
HBB1CBBHBB2109.4°109.5°
HBB1CBBHBB3109.4°109.5°
HBB2CBBHBB3109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAECADHAD1HAD2120.0°120.0°
CAECADHAD1HAD3120.0°119.9°
CAECADHAD2HAD3120.0°119.9°
CADCAECAHCAA178.4°179.7°
CADCAECAACAB179.4°180.0°
CADCAECAAHAA0.6°0.0°
CADCAECAHCAI179.9°179.8°
CADCAECAHB3.0°0.0°
HAD1CADHAD2HAD3120.0°120.0°
HAD1CADCAECAH156.7°84.4°
HAD1CADCAECAA21.8°95.3°
HAD2CADCAECAH83.3°155.6°
HAD2CADCAECAA98.2°24.7°
HAD3CADCAECAH36.7°35.6°
HAD3CADCAECAA141.8°144.7°
CAHCAECAACAB0.9°0.3°
CAHCAECAAHAA179.1°179.7°
CAECAHCAICAF1.6°0.5°
CAECAHCAICAJ178.0°179.7°
CAECAHCAIB177.1°179.7°
CAECAHBCAM45.1°137.6°
CAECAHBN133.6°42.4°
CAECAACABHAA180.0°179.9°
CAECAACABCAF0.2°0.1°
CAECAACABCAC179.8°180.0°
CAACAECAHCAI1.7°0.5°
CAACAECAHB178.6°179.8°
CAACABCAFCAC179.7°179.9°
CAACABCACHAC1175.6°90.0°
CAACABCACHAC255.6°150.0°
CAACABCACHAC364.5°30.0°
CAACABCAFCAI0.3°0.1°
CAACABCAFHAF179.7°180.0°
HAACAACABCAF179.8°180.0°
HAACAACABCAC0.2°0.0°
CAFCABCACHAC14.1°90.0°
CAFCABCACHAC2124.1°30.0°
CAFCABCACHAC3115.9°150.1°
CABCAFCAIHAF180.0°179.9°
CABCAFCAICAJ179.0°179.9°
CABCAFCAICAH0.6°0.3°
CABCACHAC1HAC2120.0°120.0°
CABCACHAC1HAC3120.0°120.0°
CABCACHAC2HAC3120.0°120.1°
CACCABCAFCAI180.0°180.0°
CACCABCAFHAF0.0°0.1°
HAC1CACHAC2HAC3120.0°119.9°
CAFCAICAJCAH179.6°179.8°
CAFCAICAJHAJ1159.8°95.7°
CAFCAICAJHAJ239.8°144.3°
CAFCAICAJHAJ380.2°24.2°
CAFCAICAHB178.7°179.8°
HAFCAFCAICAJ1.0°0.0°
HAFCAFCAICAH179.4°179.8°
CAICAJHAJ1HAJ2120.0°120.0°
CAICAJHAJ1HAJ3120.0°120.0°
CAICAJHAJ2HAJ3120.0°120.1°
CAJCAICAHB1.0°0.0°
CAHCAICAJHAJ119.9°84.1°
CAHCAICAJHAJ2139.9°35.9°
CAHCAICAJHAJ3100.1°156.0°
CAICAHBCAM131.7°42.7°
CAICAHBN49.6°137.3°
HAJ1CAJHAJ2HAJ3120.0°120.0°
CAHBCAMN178.5°180.0°
CAHBNCAP179.1°52.2°
CAHBNCAW3.3°127.8°
CAHBCAMCAL56.3°121.5°
CAHBCAMCAV116.3°58.2°
CAMBNCAP0.6°127.8°
CAMBNCAW175.2°52.2°
BCAMCALCAV172.8°179.8°
BCAMCALCAK175.7°180.0°
BCAMCALCAG6.1°0.1°
BCAMCAVCAU175.8°179.7°
BCAMCAVCBB4.9°0.0°
BNCAPCAW174.8°180.0°
BNCAWCBD151.9°103.4°
BNCAWHAW132.0°16.6°
BNCAWHAW297.7°136.6°
BNCAPCAQ39.0°171.6°
BNCAPCAX138.1°8.1°
NBCAMCAL125.2°58.4°
NBCAMCAV62.2°121.8°
CAPNCAWCBD32.9°76.6°
CAPNCAWHAW1152.9°163.4°
CAPNCAWHAW277.4°43.4°
NCAPCAQCAX177.3°179.7°
NCAPCAQCAR178.0°180.0°
NCAPCAQHAQ1.9°0.0°
NCAPCAXCAY178.0°179.7°
NCAPCAXHAX1.9°0.1°
NCAWCBDHAW1120.0°120.0°
NCAWCBDHAW2110.3°120.0°
NCAWHAW1HAW2112.6°120.0°
NCAWCBDFBF35.8°66.0°
NCAWCBDFBC89.7°54.0°
NCAWCBDFBE157.7°174.0°
CAWNCAPCAQ146.1°8.4°
CAWNCAPCAX36.7°172.0°
CBDCAWHAW1HAW2112.6°120.0°
CAWCBDFBFFBC126.6°119.9°
CAWCBDFBFFBE114.5°120.0°
CAWCBDFBCFBE109.6°120.0°
HAW1CAWCBDFBF84.2°54.1°
HAW1CAWCBDFBC150.3°174.0°
HAW1CAWCBDFBE37.7°66.0°
HAW2CAWCBDFBF146.1°174.0°
HAW2CAWCBDFBC20.6°66.0°
HAW2CAWCBDFBE92.0°54.0°
FBFCBDFBCFBE123.6°120.0°
CAPCAQCARHAQ180.0°180.0°
CAPCAQCARCAZ0.2°0.0°
CAPCAQCARHAR179.8°180.0°
CAQCAPCAXCAY0.8°0.6°
CAQCAPCAXHAX179.2°179.7°
CAXCAPCAQCAR0.7°0.3°
CAXCAPCAQHAQ179.3°179.7°
CAPCAXCAYCAZ0.5°0.5°
CAPCAXCAYHAX180.0°179.7°
CAPCAXCAYHAY179.5°179.7°
CAQCARCAZHAR180.0°179.9°
CAQCARCAZOBA179.9°180.0°
CAQCARCAZCAY0.2°0.0°
HAQCAQCARCAZ179.8°180.0°
HAQCAQCARHAR0.3°0.0°
CARCAZOBACAY179.7°180.0°
CARCAZOBAHOBA172.1°90.0°
CARCAZCAYCAX0.0°0.3°
CARCAZCAYHAY180.0°180.0°
HARCARCAZOBA0.2°0.0°
HARCARCAZCAY179.9°180.0°
OBACAZCAYCAX179.7°179.7°
OBACAZCAYHAY0.3°0.0°
CAYCAZOBAHOBA7.6°90.0°
CAZCAYCAXHAY180.0°179.8°
CAZCAYCAXHAX179.5°179.8°
HAYCAYCAXHAX0.5°0.0°
CAMCALCAKCAG178.3°179.9°
CAMCALCAGHAG1103.4°93.4°
CAMCALCAGHAG2136.6°146.6°
CAMCALCAGHAG316.6°26.6°
CAMCALCAKCAT1.8°0.1°
CAMCALCAKHAK178.2°180.0°
CALCAMCAVCAU2.8°0.5°
CALCAMCAVCBB177.9°179.8°
CAVCAMCALCAK2.9°0.2°
CAVCAMCALCAG178.9°179.7°
CAMCAVCAUCAT1.6°0.6°
CAMCAVCAUCBB179.4°179.7°
CAMCAVCAUHAU178.4°179.8°
CAMCAVCBBHBB175.0°94.4°
CAMCAVCBBHBB2165.0°145.6°
CAMCAVCBBHBB344.9°25.7°
CAKCALCAGHAG174.8°86.5°
CAKCALCAGHAG245.2°33.5°
CAKCALCAGHAG3165.2°153.4°
CALCAKCATHAK180.0°180.0°
CALCAKCATCAS179.8°180.0°
CALCAKCATCAU0.5°0.0°
CALCAGHAG1HAG2120.0°120.0°
CALCAGHAG1HAG3120.0°120.0°
CALCAGHAG2HAG3120.0°119.9°
CAGCALCAKCAT179.9°180.0°
CAGCALCAKHAK0.1°0.1°
HAG1CAGHAG2HAG3120.0°120.1°
CAKCATCASCAU179.3°180.0°
CAKCATCASHAS1104.5°90.0°
CAKCATCASHAS215.5°150.0°
CAKCATCASHAS3135.5°30.0°
CAKCATCAUCAV0.4°0.3°
CAKCATCAUHAU179.6°179.9°
HAKCAKCATCAS0.2°0.0°
HAKCAKCATCAU179.5°180.0°
CATCASHAS1HAS2120.0°120.0°
CATCASHAS1HAS3120.0°120.0°
CATCASHAS2HAS3120.0°120.0°
CASCATCAUCAV179.7°179.7°
CASCATCAUHAU0.3°0.0°
CAUCATCASHAS176.2°90.0°
CAUCATCASHAS2163.8°30.0°
CAUCATCASHAS343.8°150.0°
CATCAUCAVHAU180.0°179.7°
CATCAUCAVCBB179.1°179.7°
HAS1CASHAS2HAS3120.0°120.1°
CAUCAVCBBHBB1105.6°85.4°
CAUCAVCBBHBB214.4°34.7°
CAUCAVCBBHBB3134.4°154.6°
HAUCAUCAVCBB1.0°0.1°
CAVCBBHBB1HBB2120.0°120.0°
CAVCBBHBB1HBB3120.0°120.0°
CAVCBBHBB2HBB3120.0°119.9°
HBB1CBBHBB2HBB3119.9°120.0°

246704

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