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28W

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CLHCBAsing1.74Å1.75Å
CAPCBAdoub1.38Å1.40ÅAromatic
CAPCBEsing1.39Å1.35ÅAromatic
OACCAXdoub1.22Å1.24Å
NAWCBEsing1.37Å1.34ÅAromatic
NAWCBCsing1.38Å1.33ÅAromatic
CBACANsing1.39Å1.39ÅAromatic
CBECBFdoub1.41Å1.34ÅAromatic
CD1CGsing1.53Å1.52Å
CAXCBCsing1.47Å1.36Å
CAXNASsing1.35Å1.33Å
CBCCBDdoub1.36Å1.34ÅAromatic
CANCAOdoub1.36Å1.40ÅAromatic
CBFCBDsing1.42Å1.34ÅAromatic
CBFCAOsing1.40Å1.35ÅAromatic
OAFNASsing1.42Å1.33Å
CBDCBIsing1.51Å1.52Å
CD2CGsing1.53Å1.54Å
CGCBsing1.53Å1.54Å
OCdoub1.21Å1.24Å
CBCAsing1.53Å1.52Å
CACsing1.51Å1.56Å
CANsing1.47Å1.49Å
CBINsing1.47Å1.42Å
CBICAZsing1.51Å1.49Å
CNATsing1.35Å1.30Å
CAJCAIdoub1.38Å1.39ÅAromatic
CAJCALsing1.38Å1.39ÅAromatic
CAICAKsing1.38Å1.39ÅAromatic
CALCBBdoub1.38Å1.40ÅAromatic
NAUCAZsing1.35Å1.35Å
NAUCAQsing1.47Å1.48Å
CAZOAEdoub1.21Å1.22Å
NATOAGsing1.42Å1.57Å
CAKCAMdoub1.38Å1.40ÅAromatic
CBBCAMsing1.38Å1.40ÅAromatic
CBBCAQsing1.51Å1.40Å
CALH1sing1.08Å1.08Å
CAJH2sing1.08Å1.08Å
CAIH3sing1.08Å1.08Å
CAKH4sing1.08Å1.08Å
CAMH5sing1.08Å1.08Å
CAQH6sing1.09Å1.10Å
CAQH7sing1.09Å1.10Å
NAUH8sing0.97Å1.00Å
CBIH9sing1.09Å1.10Å
NH10sing1.01Å1.00Å
CAH12sing1.09Å1.10Å
CBH13sing1.09Å1.10Å
CBH14sing1.09Å1.10Å
CGH15sing1.09Å1.10Å
CD2H16sing1.09Å1.10Å
CD2H17sing1.09Å1.10Å
CD2H18sing1.09Å1.10Å
CD1H19sing1.09Å1.10Å
CD1H20sing1.09Å1.10Å
CD1H21sing1.09Å1.10Å
NATH22sing0.97Å1.00Å
OAGH23sing0.97Å0.95Å
CAOH24sing1.08Å1.08Å
CANH25sing1.08Å1.08Å
CAPH26sing1.08Å1.08Å
NAWH27sing0.97Å1.00Å
NASH28sing0.97Å1.00Å
OAFH29sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CLHCBACAP120.8°119.7°
CLHCBACAN120.3°119.7°
CBACAPCBE121.0°119.8°
CAPCBACAN118.9°120.6°
CBACAPH26119.5°120.1°
CAPCBENAW132.5°133.2°
CAPCBECBF120.1°119.4°
CBECAPH26119.5°120.1°
OACCAXCBC120.6°120.0°
OACCAXNAS119.8°120.0°
CBENAWCBC109.4°108.8°
NAWCBECBF107.4°107.4°
CBENAWH27125.3°125.6°
NAWCBCCAX121.3°125.4°
NAWCBCCBD106.4°109.1°
CBCNAWH27125.3°125.7°
CBACANCAO117.8°120.6°
CBACANH25121.1°119.7°
CBECBFCBD107.3°106.9°
CBECBFCAO121.5°119.7°
CD1CGCD2109.5°109.5°
CD1CGCB111.8°109.5°
CD1CGH15109.7°109.5°
CGCD1H19109.5°109.4°
CGCD1H20109.5°109.5°
CGCD1H21109.5°109.5°
CBCCAXNAS119.3°120.0°
CAXCBCCBD132.2°125.5°
CAXNASOAF114.4°119.9°
CAXNASH28122.8°120.0°
CBCCBDCBF109.5°107.8°
CBCCBDCBI135.3°126.1°
CANCAOCBF120.6°119.9°
CANCAOH24119.7°120.0°
CAOCANH25121.1°119.7°
CBDCBFCAO131.1°133.3°
CBFCBDCBI115.2°126.1°
CBFCAOH24119.7°120.1°
OAFNASH28122.8°120.1°
NASOAFH29109.5°114.0°
CBDCBIN126.1°109.5°
CBDCBICAZ117.8°109.5°
CBDCBIH993.4°109.5°
CD2CGCB107.0°109.5°
CD2CGH15109.4°109.4°
CGCD2H16109.5°109.5°
CGCD2H17109.5°109.5°
CGCD2H18109.5°109.5°
CGCBCA111.2°109.5°
CGCBH13109.0°109.4°
CGCBH14109.0°109.5°
CBCGH15109.4°109.5°
OCCA123.2°120.0°
OCNAT117.7°120.0°
CBCAC104.0°109.5°
CBCAN111.2°109.4°
CBCAH12109.1°109.5°
CACBH13109.0°109.5°
CACBH14109.0°109.5°
CCAN114.3°109.5°
CACNAT118.8°120.0°
CCAH12108.6°109.5°
CANCBI118.8°111.0°
CANH10107.1°111.0°
NCAH12109.5°109.5°
NCBICAZ114.9°109.5°
NCBIH993.7°109.5°
CBINH10107.1°111.0°
CBICAZNAU120.6°120.0°
CBICAZOAE114.9°120.0°
CAZCBIH993.5°109.5°
CNATOAG109.8°119.9°
CNATH22125.1°120.0°
CAICAJCAL120.5°120.0°
CAJCAICAK119.2°120.0°
CAICAJH2119.7°120.0°
CAJCAIH3120.4°120.0°
CAJCALCBB121.4°119.9°
CAJCALH1119.3°120.1°
CALCAJH2119.8°119.9°
CAICAKCAM120.1°120.0°
CAKCAIH3120.4°120.0°
CAICAKH4119.9°120.0°
CALCBBCAM117.5°120.0°
CALCBBCAQ123.9°120.0°
CBBCALH1119.3°120.0°
CAZNAUCAQ121.8°120.0°
NAUCAZOAE123.0°120.0°
CAZNAUH8119.1°120.0°
NAUCAQCBB108.7°109.5°
NAUCAQH6109.7°109.5°
NAUCAQH7109.7°109.5°
CAQNAUH8119.1°120.0°
OAGNATH22125.1°120.0°
NATOAGH23109.5°113.9°
CAKCAMCBB121.2°120.0°
CAMCAKH4119.9°120.0°
CAKCAMH5119.4°120.0°
CAMCBBCAQ118.6°120.0°
CBBCAMH5119.4°120.0°
CBBCAQH6109.7°109.5°
CBBCAQH7109.7°109.4°
H6CAQH7109.5°109.4°
H13CBH14109.5°109.5°
H16CD2H17109.5°109.4°
H16CD2H18109.5°109.5°
H17CD2H18109.5°109.5°
H19CD1H20109.5°109.5°
H19CD1H21109.5°109.5°
H20CD1H21109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CLHCBACAPCAN178.9°179.9°
CLHCBACAPCBE179.6°180.0°
CLHCBACANCAO179.9°180.0°
CLHCBACANH250.1°0.1°
CLHCBACAPH260.4°0.1°
CBACAPCBEH26180.0°180.0°
CBACAPCBENAW179.1°179.9°
CBACAPCBECBF0.9°0.0°
CAPCBACANCAO0.9°0.1°
CAPCBACANH25179.1°179.9°
CAPCBENAWCBF180.0°179.9°
CAPCBENAWCBC178.8°179.7°
CBECAPCBACAN1.4°0.0°
CAPCBECBFCBD179.9°180.0°
CAPCBECBFCAO0.0°0.0°
CAPCBENAWH271.1°0.1°
OACCAXCBCNAW5.3°179.7°
OACCAXCBCNAS174.0°179.9°
OACCAXCBCCBD178.9°0.2°
OACCAXNASOAF2.2°4.4°
OACCAXNASH28177.8°175.6°
CBENAWCBCH27180.0°179.8°
CBENAWCBCCAX178.5°180.0°
CBENAWCBCCBD1.8°0.4°
NAWCBECBFCBD0.1°0.0°
NAWCBECBFCAO180.0°180.0°
NAWCBECAPH260.9°0.0°
CBCNAWCBECBF1.2°0.2°
NAWCBCCAXCBD175.7°179.5°
NAWCBCCAXNAS168.6°0.3°
NAWCBCCBDCBF1.7°0.4°
NAWCBCCBDCBI179.5°179.8°
CBACANCAOH25180.0°179.9°
CBACANCAOCBF0.0°0.1°
CBACANCAOH24180.0°180.0°
CANCBACAPH26178.6°180.0°
CBECBFCBDCBC1.0°0.3°
CBECBFCAOCAN0.5°0.0°
CBECBFCBDCAO179.9°180.0°
CBECBFCBDCBI179.3°180.0°
CBECBFCAOH24179.5°179.9°
CBFCBECAPH26179.1°180.0°
CBFCBENAWH27178.8°179.9°
CD1CGCD2CB121.3°120.0°
CD1CGCD2H15120.2°120.1°
CD1CGCBH15121.7°120.1°
CD1CGCBCA58.8°174.2°
CD1CGCBH1361.4°65.8°
CD1CGCBH14179.1°54.2°
CD1CGCD2H16180.0°62.4°
CD1CGCD2H1760.0°177.7°
CD1CGCD2H1860.0°57.6°
CGCD1H19H20120.0°120.0°
CGCD1H19H21120.0°120.0°
CGCD1H20H21120.0°120.0°
CAXCBCCBDCBF177.9°180.0°
CBCCAXNASOAF176.2°175.5°
CAXCBCCBDCBI4.3°0.3°
CAXCBCNAWH271.5°0.2°
CBCCAXNASH283.8°4.5°
NASCAXCBCCBD7.1°179.7°
CAXNASOAFH28180.0°180.0°
CAXNASOAFH291.1°180.0°
CBCCBDCBFCBI178.3°179.8°
CBCCBDCBFCAO178.9°179.7°
CBCCBDCBIN92.6°46.8°
CBCCBDCBICAZ100.3°73.2°
CBCCBDCBIH94.5°166.8°
CBDCBCNAWH27178.2°179.8°
CANCAOCBFCBD179.7°180.0°
CANCAOCBFH24180.0°179.9°
CBFCBDCBIN89.7°133.5°
CBFCBDCBICAZ77.5°106.6°
CBFCBDCBIH9173.2°13.5°
CBDCBFCAOH240.3°0.1°
CAOCBFCBDCBI0.5°0.1°
CBFCAOCANH25180.0°179.9°
CBDCBINCA38.9°83.1°
CBDCBINCAZ167.4°120.0°
CBDCBINH997.0°120.0°
CBDCBICAZH995.7°120.0°
CBDCBICAZNAU28.4°76.2°
CBDCBICAZOAE137.9°103.8°
CBDCBINH10160.3°153.1°
CD2CGCBH15118.5°119.9°
CD2CGCBCA178.7°65.8°
CD2CGCBH1358.5°54.2°
CD2CGCBH1461.1°174.2°
CGCD2H16H17120.0°120.0°
CGCD2H16H18120.0°120.0°
CGCD2H17H18120.0°120.0°
CD2CGCD1H19180.0°175.2°
CD2CGCD1H2060.0°55.3°
CD2CGCD1H2160.0°64.7°
CGCBCAH13120.2°119.9°
CGCBCAH14120.3°120.0°
CGCBCAC171.0°65.8°
CGCBCAN65.6°174.1°
CGCBCAH1255.3°54.2°
CGCBH13H14119.2°120.0°
CBCGCD2H1658.7°177.6°
CBCGCD2H1761.3°57.7°
CBCGCD2H18178.7°62.4°
CBCGCD1H1961.7°64.8°
CBCGCD1H20178.3°175.3°
CBCGCD1H2158.4°55.2°
OCCACB94.3°91.4°
OCCANAT174.2°180.0°
OCCAN144.3°28.6°
OCNATOAG2.4°0.0°
OCCAH1221.8°148.6°
OCNATH22177.6°180.0°
CBCACN121.4°120.0°
CBCACH12116.1°120.0°
CBCANH12120.7°120.0°
CBCANCBI145.1°154.8°
CBCACNAT79.9°88.6°
CBCANH1093.6°81.3°
CACBH13H14119.2°120.0°
CACBCGH1562.9°54.1°
CCANH12122.0°120.1°
CCANCBI97.5°85.2°
CACNATOAG177.0°180.0°
CCANH1023.8°38.7°
CCACBH1350.7°174.2°
CCACBH1468.8°54.2°
CACNATH223.1°0.0°
CANCBIH10121.3°123.9°
CANCBICAZ153.6°156.9°
NCACNAT41.6°151.4°
CANCBIH958.0°36.9°
NCACBH13174.2°54.2°
NCACBH1454.7°65.8°
NCBICAZH995.7°120.0°
NCBICAZNAU163.0°163.8°
NCBICAZOAE30.7°16.2°
CBINCAH1224.4°34.9°
CBICAZNAUOAE165.2°180.0°
CBICAZNAUCAQ173.8°180.0°
CBICAZNAUH86.2°0.0°
CAZCBINH1032.3°33.1°
CNATOAGH22180.0°180.0°
NATCCAH12164.0°31.4°
CNATOAGH231.3°179.9°
CAICAJCALH2180.0°179.9°
CAJCAICAKH3180.0°180.0°
CAICAJCALCBB0.8°0.1°
CAJCAICAKCAM0.0°0.0°
CAICAJCALH1179.2°179.7°
CAJCAICAKH4180.0°180.0°
CALCAJCAICAK0.5°0.1°
CAJCALCBBH1180.0°179.6°
CAJCALCBBCAM0.6°0.0°
CAJCALCBBCAQ179.2°179.7°
CALCAJCAIH3179.5°179.9°
CAICAKCAMH4180.0°179.9°
CAICAKCAMCBB0.1°0.1°
CAKCAICAJH2179.5°179.9°
CAICAKCAMH5179.9°180.0°
CALCBBCAQNAU36.6°89.9°
CALCBBCAMCAK0.2°0.1°
CALCBBCAMCAQ179.8°179.8°
CBBCALCAJH2179.2°180.0°
CALCBBCAMH5179.8°180.0°
CALCBBCAQH6156.4°150.0°
CALCBBCAQH783.3°30.1°
CAZNAUCAQH8180.0°180.0°
CAZNAUCAQCBB108.5°180.0°
CAZNAUCAQH6131.6°60.0°
CAZNAUCAQH711.4°60.0°
NAUCAZCBIH967.3°43.8°
CAQNAUCAZOAE8.7°0.0°
NAUCAQCBBCAM143.3°90.3°
NAUCAQCBBH6119.9°120.0°
NAUCAQCBBH7119.9°120.0°
NAUCAQH6H7120.4°120.0°
OAECAZNAUH8171.4°180.0°
OAECAZCBIH9126.4°136.2°
CAKCAMCBBH5180.0°179.9°
CAKCAMCBBCAQ179.7°179.9°
CAMCAKCAIH3180.0°180.0°
CAMCBBCALH1179.4°179.6°
CBBCAMCAKH4179.9°180.0°
CAMCBBCAQH623.4°29.7°
CAMCBBCAQH796.8°149.7°
CAQCBBCALH10.8°0.1°
CAQCBBCAMH50.4°0.3°
CBBCAQH6H7120.3°120.0°
CBBCAQNAUH871.6°0.0°
H1CALCAJH20.8°0.4°
H2CAJCAIH30.5°0.0°
H3CAICAKH40.0°0.1°
H4CAKCAMH50.1°0.1°
H6CAQNAUH848.3°120.0°
H7CAQNAUH8168.6°120.0°
H9CBINH1063.3°87.0°
H10NCAH12145.8°158.7°
H12CACBH1365.0°65.8°
H12CACBH14175.5°174.2°
H13CBCGH15176.9°174.1°
H14CBCGH1557.4°65.9°
H15CGCD2H1659.7°57.7°
H15CGCD2H17179.8°62.3°
H15CGCD2H1860.2°177.7°
H15CGCD1H1959.9°55.2°
H15CGCD1H2060.1°64.7°
H15CGCD1H21179.9°175.3°
H16CD2H17H18120.0°120.0°
H19CD1H20H21120.0°120.0°
H22NATOAGH23178.8°0.1°
H24CAOCANH250.0°0.2°
H28NASOAFH29178.9°0.0°

246704

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