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NG5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAINAHdoub1.32Å1.41ÅAromatic
CAICADsing1.39Å1.39ÅAromatic
NAHCAGsing1.33Å1.34ÅAromatic
NAKNALsing1.28Å1.21ÅAromatic
NAKCAJdoub1.32Å1.33ÅAromatic
OATCASdoub1.22Å1.23Å
OACCADsing1.36Å1.37Å
OACCABsing1.43Å1.42Å
NALCAMdoub1.31Å1.33ÅAromatic
CADCAEdoub1.39Å1.40ÅAromatic
CAPCAQsing1.54Å1.55Å
CAPNARsing1.47Å1.48Å
CAPCAOsing1.54Å1.50Å
CAACABsing1.53Å1.53Å
CAGCAJsing1.48Å1.32Å
CAGCAFdoub1.39Å1.39ÅAromatic
CAJNBEsing1.37Å1.32ÅAromatic
CASNARsing1.35Å1.35Å
CASCAUsing1.48Å1.40Å
CAQCANsing1.54Å1.50Å
CAMNBEsing1.36Å1.33ÅAromatic
CAMCANsing1.51Å1.53Å
CAOCANsing1.54Å1.52Å
CAECAFsing1.38Å1.39ÅAromatic
CBLCBKdoub1.38Å1.39ÅAromatic
CBLCBFsing1.39Å1.39ÅAromatic
NBECBFsing1.40Å1.33Å
CBDCAUdoub1.39Å1.39ÅAromatic
CBDCBCsing1.39Å1.39ÅAromatic
CAUCAVsing1.42Å1.39ÅAromatic
CBCNBBdoub1.31Å1.40ÅAromatic
CBKCBJsing1.38Å1.40ÅAromatic
CBFCBGdoub1.39Å1.40ÅAromatic
CAVNAWdoub1.33Å1.34ÅAromatic
CAVCBAsing1.42Å1.40ÅAromatic
NAWCAXsing1.31Å1.40ÅAromatic
NBBCBAsing1.33Å1.34ÅAromatic
CBACAZdoub1.41Å1.39ÅAromatic
CAXCAYdoub1.39Å1.39ÅAromatic
CBJCBIdoub1.38Å1.39ÅAromatic
CBGCBIsing1.38Å1.39ÅAromatic
CBGFBHsing1.35Å1.36Å
CAZCAYsing1.37Å1.39ÅAromatic
CBIHBIsing1.08Å1.08Å
CBJHBJsing1.08Å1.08Å
CBKHBKsing1.08Å1.08Å
CBLHBLsing1.08Å1.08Å
CAFHAGsing1.08Å1.08Å
CAEHAFsing1.08Å1.08Å
CAIHAIsing1.08Å1.08Å
CABHADsing1.09Å1.10Å
CABHAEsing1.09Å1.10Å
CAAHACsing1.09Å1.10Å
CAAHAAsing1.09Å1.10Å
CAAHABsing1.09Å1.10Å
CANHANsing1.09Å1.10Å
CAQHASsing1.09Å1.10Å
CAQHARsing1.09Å1.10Å
CAOHAPsing1.09Å1.10Å
CAOHAOsing1.09Å1.10Å
CAPHAQsing1.09Å1.10Å
NARHBMsing0.97Å1.00Å
CAXHAXsing1.08Å1.08Å
CAYHAYsing1.08Å1.08Å
CAZHAZsing1.08Å1.08Å
CBCHBCsing1.08Å1.08Å
CBDHBDsing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NAHCAICAD120.7°120.9°
CAINAHCAG120.5°121.6°
NAHCAIHAI119.7°119.5°
CAICADOAC117.4°120.4°
CAICADCAE118.1°119.3°
CADCAIHAI119.7°119.6°
NAHCAGCAJ119.9°119.7°
NAHCAGCAF120.5°120.7°
NALNAKCAJ108.7°109.7°
NAKNALCAM109.1°110.2°
NAKCAJCAG124.7°126.6°
NAKCAJNBE110.0°106.9°
OATCASNAR122.9°120.0°
OATCASCAU120.0°120.0°
CADOACCAB117.0°117.0°
OACCADCAE124.5°120.3°
OACCABCAA105.4°109.5°
OACCABHAD110.5°109.4°
OACCABHAE110.5°109.5°
NALCAMNBE109.2°107.4°
NALCAMCAN125.5°126.3°
CADCAECAF120.3°118.5°
CADCAEHAF119.8°120.8°
CAQCAPNAR111.4°113.6°
CAQCAPCAO91.7°87.1°
CAPCAQCAN87.3°87.1°
CAPCAQHAS114.7°113.6°
CAPCAQHAR114.7°113.7°
CAQCAPHAQ112.6°113.6°
NARCAPCAO112.3°113.5°
CAPNARCAS122.0°120.0°
NARCAPHAQ113.7°112.8°
CAPNARHBM119.0°120.0°
CAPCAOCAN88.3°87.1°
CAPCAOHAP114.5°113.6°
CAPCAOHAO114.5°113.7°
CAOCAPHAQ113.3°113.8°
CAACABHAD110.5°109.5°
CAACABHAE110.5°109.5°
CABCAAHAC109.5°109.4°
CABCAAHAA109.5°109.5°
CABCAAHAB109.5°109.5°
CAJCAGCAF119.6°119.6°
CAGCAJNBE125.3°126.5°
CAGCAFCAE120.0°119.1°
CAGCAFHAG120.0°120.5°
CAJNBECAM103.1°105.8°
CAJNBECBF126.8°127.1°
NARCASCAU117.0°120.0°
CASNARHBM119.0°120.0°
CASCAUCBD118.8°121.1°
CASCAUCAV123.1°121.1°
CAQCANCAM112.3°113.6°
CAQCANCAO92.7°87.1°
CAQCANHAN112.5°113.6°
CANCAQHAS114.7°113.6°
CANCAQHAR114.7°113.6°
NBECAMCAN125.3°126.3°
CAMNBECBF130.1°127.1°
CAMCANCAO114.0°113.6°
CAMCANHAN112.0°112.9°
CAOCANHAN112.1°113.6°
CANCAOHAP114.4°113.6°
CANCAOHAO114.5°113.6°
CAECAFHAG120.0°120.4°
CAFCAEHAF119.9°120.8°
CBKCBLCBF119.9°120.0°
CBLCBKCBJ120.1°120.1°
CBLCBKHBK119.9°120.0°
CBKCBLHBL120.0°120.0°
CBLCBFNBE118.8°120.1°
CBLCBFCBG120.0°119.8°
CBFCBLHBL120.1°120.0°
NBECBFCBG121.3°120.1°
CAUCBDCBC120.6°119.7°
CBDCAUCAV118.1°117.8°
CAUCBDHBD119.7°120.1°
CBDCBCNBB119.8°121.7°
CBDCBCHBC120.1°119.1°
CBCCBDHBD119.7°120.2°
CAUCAVNAW119.8°121.1°
CAUCAVCBA120.4°118.6°
CBCNBBCBA120.2°121.8°
NBBCBCHBC120.1°119.1°
CBKCBJCBI120.3°120.1°
CBKCBJHBJ119.9°119.9°
CBJCBKHBK120.0°119.9°
CBFCBGCBI120.1°119.9°
CBFCBGFBH121.3°120.0°
NAWCAVCBA119.8°120.3°
CAVNAWCAX120.8°121.3°
CAVCBANBB120.9°120.3°
CAVCBACAZ120.5°118.6°
NAWCAXCAY120.1°121.6°
NAWCAXHAX119.9°119.2°
NBBCBACAZ118.6°121.1°
CBACAZCAY119.7°118.2°
CBACAZHAZ120.1°120.9°
CAXCAYCAZ119.1°120.0°
CAYCAXHAX120.0°119.2°
CAXCAYHAY120.4°120.0°
CBJCBICBG119.6°120.1°
CBJCBIHBI120.2°119.9°
CBICBJHBJ119.8°119.9°
CBICBGFBH118.6°120.1°
CBGCBIHBI120.2°120.0°
CAZCAYHAY120.4°120.0°
CAYCAZHAZ120.1°120.9°
HADCABHAE109.5°109.5°
HACCAAHAA109.4°109.5°
HACCAAHAB109.4°109.5°
HAACAAHAB109.5°109.5°
HASCAQHAR109.5°112.8°
HAPCAOHAO109.5°112.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NAHCAICADHAI180.0°180.0°
NAHCAICADOAC179.9°180.0°
NAHCAICADCAE0.1°0.3°
CAINAHCAGCAJ179.4°180.0°
CAINAHCAGCAF0.6°0.2°
CADCAINAHCAG0.4°0.0°
CAICADOACCAE180.0°179.8°
CAICADOACCAB172.2°0.0°
CAICADCAECAF0.0°0.2°
CAICADCAEHAF180.0°179.8°
NAHCAGCAJNAK110.1°179.8°
NAHCAGCAJCAF180.0°179.8°
NAHCAGCAJNBE69.6°0.2°
NAHCAGCAFCAE0.5°0.3°
NAHCAGCAFHAG179.5°179.8°
CAGNAHCAIHAI179.6°180.0°
NALNAKCAJCAG179.8°180.0°
NALNAKCAJNBE0.2°0.0°
NAKNALCAMNBE0.6°0.4°
NAKNALCAMCAN178.8°179.9°
CAJNAKNALCAM0.5°0.3°
NAKCAJCAGNBE179.6°180.0°
NAKCAJCAGCAF69.9°0.1°
NAKCAJNBECAM0.2°0.2°
NAKCAJNBECBF179.5°179.9°
OATCASNARCAP1.3°0.0°
OATCASNARCAU179.6°180.0°
OATCASCAUCBD1.3°179.7°
OATCASCAUCAV178.4°0.1°
OATCASNARHBM178.7°180.0°
CADOACCABCAA165.5°180.0°
OACCADCAECAF180.0°180.0°
OACCADCAEHAF0.0°0.0°
OACCADCAIHAI0.1°0.0°
CADOACCABHAD75.2°60.0°
CADOACCABHAE46.1°60.0°
CABOACCADCAE7.8°179.8°
OACCABCAAHAD119.3°120.0°
OACCABCAAHAE119.4°120.1°
OACCABHADHAE121.9°120.0°
OACCABCAAHAC180.0°60.1°
OACCABCAAHAA60.0°60.0°
OACCABCAAHAB60.0°180.0°
NALCAMNBECAJ0.5°0.4°
NALCAMCANCAQ112.7°58.5°
NALCAMNBECAN178.2°179.6°
NALCAMCANCAO9.0°39.1°
NALCAMNBECBF179.8°179.9°
NALCAMCANHAN119.6°170.3°
CADCAECAFCAG0.2°0.0°
CADCAECAFHAF180.0°180.0°
CADCAECAFHAG179.8°180.0°
CAECADCAIHAI179.9°179.8°
CAQCAPNARCAO101.3°97.5°
CAQCAPNARHAQ128.4°131.2°
CAQCAPCAOHAQ115.5°114.6°
CAQCAPNARCAS172.5°155.0°
CAPCAQCANHAS116.0°114.6°
CAPCAQCANHAR116.0°114.7°
CAPCAQCANCAM118.3°140.0°
CAQCAPCAOCAN1.0°25.4°
CAPCAQCANHAN114.3°89.2°
CAPCAQHASHAR130.6°131.3°
CAQCAPCAOHAP117.2°89.2°
CAQCAPCAOHAO115.2°139.9°
CAQCAPNARHBM7.5°25.0°
NARCAPCAOHAQ130.5°130.8°
CAPNARCASHBM180.0°180.0°
CAPNARCASCAU178.2°180.0°
NARCAPCAQCAN113.7°89.1°
NARCAPCAOCAN113.0°89.2°
NARCAPCAQHAS130.3°25.4°
NARCAPCAQHAR2.3°156.3°
NARCAPCAOHAP3.2°156.3°
NARCAPCAOHAO130.8°25.4°
CAOCAPNARCAS71.3°107.5°
CAPCAOCANCAM116.9°139.9°
CAPCAOCANHAP116.2°114.5°
CAPCAOCANHAO116.2°114.7°
CAPCAOCANHAN114.5°89.2°
CAOCAPCAQHAS115.0°139.9°
CAOCAPCAQHAR117.1°89.2°
CAPCAOHAPHAO130.1°131.3°
CAOCAPNARHBM108.7°72.5°
CAACABHADHAE121.9°120.0°
CABCAAHACHAA120.0°120.0°
CABCAAHACHAB120.0°119.9°
CABCAAHAAHAB120.0°120.0°
CAGCAJNBECAM179.5°179.7°
CAJCAGCAFCAE179.5°180.0°
CAGCAJNBECBF0.1°0.1°
CAJCAGCAFHAG0.5°0.0°
CAFCAGCAJNBE110.4°180.0°
CAGCAFCAEHAG180.0°180.0°
CAGCAFCAEHAF179.8°179.9°
CAJNBECAMCBF179.3°179.7°
CAJNBECAMCAN178.6°180.0°
CAJNBECBFCBL108.0°90.0°
CAJNBECBFCBG70.8°90.4°
NARCASCAUCBD179.0°0.3°
NARCASCAUCAV1.2°180.0°
CASNARCAPHAQ59.0°23.8°
CASCAUCBDCAV179.7°179.8°
CASCAUCBDCBC179.8°179.7°
CASCAUCAVNAW0.6°0.1°
CASCAUCAVCBA179.8°180.0°
CAUCASNARHBM1.7°0.0°
CASCAUCBDHBD0.2°0.0°
CAQCANCAMNBE69.4°121.1°
CAQCANCAMCAO103.7°97.6°
CAQCANCAMHAN127.6°131.2°
CAQCANCAOHAN115.6°114.6°
CANCAQHASHAR130.6°131.2°
CAQCANCAOHAP117.3°89.1°
CAQCANCAOHAO115.2°140.0°
CANCAQCAPHAQ117.3°140.1°
NBECAMCANCAO173.1°141.3°
CAMNBECBFCBL71.2°90.4°
CAMNBECBFCBG110.1°89.2°
NBECAMCANHAN58.2°10.1°
CAMCANCAOHAN128.6°130.9°
CANCAMNBECBF2.1°0.3°
CAMCANCAQHAS2.3°105.5°
CAMCANCAQHAR125.7°25.3°
CAMCANCAOHAP126.8°25.4°
CAMCANCAOHAO0.7°105.4°
CAOCANCAQHAS115.0°140.0°
CAOCANCAQHAR117.0°89.3°
CANCAOHAPHAO130.0°131.2°
CANCAOCAPHAQ116.6°140.0°
CBKCBLCBFHBL180.0°179.9°
CBKCBLCBFNBE179.5°180.0°
CBLCBKCBJHBK180.0°180.0°
CBKCBLCBFCBG0.7°0.4°
CBLCBKCBJCBI0.2°0.0°
CBLCBKCBJHBJ179.8°180.0°
CBLCBFNBECBG178.7°179.6°
CBFCBLCBKCBJ0.2°0.2°
CBLCBFCBGCBI0.8°0.5°
CBLCBFCBGFBH179.8°179.8°
CBFCBLCBKHBK179.8°179.8°
NBECBFCBGCBI179.5°180.0°
NBECBFCBGFBH1.1°0.2°
NBECBFCBLHBL0.5°0.1°
CAUCBDCBCHBD180.0°179.7°
CAUCBDCBCNBB0.4°0.6°
CBDCAUCAVNAW179.7°179.7°
CBDCAUCAVCBA0.0°0.2°
CAUCBDCBCHBC179.6°179.7°
CBCCBDCAUCAV0.1°0.5°
CBDCBCNBBHBC180.0°179.7°
CBDCBCNBBCBA0.6°0.3°
CAUCAVNAWCBA179.6°179.9°
CAUCAVNAWCAX179.9°179.9°
CAUCAVCBANBB0.2°0.1°
CAUCAVCBACAZ179.8°179.9°
CAVCAUCBDHBD179.9°179.8°
CBCNBBCBACAV0.5°0.0°
CBCNBBCBACAZ179.6°180.0°
NBBCBCCBDHBD179.6°179.7°
CBKCBJCBIHBJ180.0°180.0°
CBKCBJCBICBG0.1°0.0°
CBKCBJCBIHBI179.9°179.9°
CBJCBKCBLHBL179.8°179.9°
CBFCBGCBICBJ0.4°0.3°
CBFCBGCBIFBH179.4°179.8°
CBFCBGCBIHBI179.6°179.8°
CBGCBFCBLHBL179.3°179.7°
NAWCAVCBANBB179.9°180.0°
NAWCAVCBACAZ0.2°0.0°
CAVNAWCAXCAY0.4°0.0°
CAVNAWCAXHAX179.6°180.0°
CBACAVNAWCAX0.5°0.0°
CAVCBANBBCAZ179.9°180.0°
CAVCBACAZCAY0.2°0.0°
CAVCBACAZHAZ179.8°179.9°
NAWCAXCAYHAX180.0°180.0°
NAWCAXCAYCAZ0.0°0.0°
NAWCAXCAYHAY180.0°179.9°
NBBCBACAZCAY179.8°180.0°
NBBCBACAZHAZ0.2°0.1°
CBANBBCBCHBC179.4°180.0°
CBACAZCAYCAX0.2°0.0°
CBACAZCAYHAZ180.0°179.9°
CBACAZCAYHAY179.7°179.9°
CAXCAYCAZHAY180.0°179.9°
CAXCAYCAZHAZ179.7°179.9°
CBJCBICBGHBI180.0°179.9°
CBJCBICBGFBH179.8°180.0°
CBICBJCBKHBK179.8°180.0°
CBGCBICBJHBJ179.9°179.9°
FBHCBGCBIHBI0.2°0.0°
CAZCAYCAXHAX180.0°180.0°
HBICBICBJHBJ0.1°0.0°
HBJCBJCBKHBK0.2°0.1°
HBKCBKCBLHBL0.2°0.1°
HAGCAFCAEHAF0.2°0.0°
HADCABCAAHAC60.7°180.0°
HADCABCAAHAA179.3°60.0°
HADCABCAAHAB59.3°60.0°
HAECABCAAHAC60.6°60.0°
HAECABCAAHAA59.3°180.0°
HAECABCAAHAB179.4°59.9°
HACCAAHAAHAB119.9°120.0°
HANCANCAQHAS129.7°25.4°
HANCANCAQHAR1.7°156.2°
HANCANCAOHAP1.7°156.3°
HANCANCAOHAO129.3°25.5°
HASCAQCAPHAQ1.2°105.4°
HARCAQCAPHAQ126.7°25.5°
HAPCAOCAPHAQ127.2°25.4°
HAOCAOCAPHAQ0.3°105.4°
HAQCAPNARHBM121.0°156.2°
HAXCAXCAYHAY0.0°0.1°
HAYCAYCAZHAZ0.3°0.0°
HBCCBCCBDHBD0.4°0.0°

223790

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