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0HL

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAQSAVsing1.76Å1.70ÅAromatic
CAQCAJdoub1.33Å1.33ÅAromatic
SAVCAUsing1.76Å1.70ÅAromatic
CADCAJsing1.51Å1.53Å
CADNsing1.47Å1.47Å
CAJCAPsing1.38Å1.34ÅAromatic
OAISACdoub1.42Å1.50Å
CBCAsing1.55Å1.53Å
CBCAMsing1.55Å1.53Å
NCAsing1.46Å1.47Å
NSACsing1.66Å1.63Å
CAPCAUdoub1.33Å1.33ÅAromatic
CACsing1.51Å1.53Å
SACCAGsing1.76Å1.75Å
SACOAHdoub1.42Å1.50Å
CAMNAKsing1.47Å1.47Å
CAOCAGdoub1.39Å1.39ÅAromatic
CAOCATsing1.36Å1.39ÅAromatic
CAGCANsing1.36Å1.39ÅAromatic
CATCAXdoub1.41Å1.40ÅAromatic
CANCASdoub1.41Å1.39ÅAromatic
CNAKsing1.34Å1.33Å
COdoub1.21Å1.23Å
NAKCARsing1.46Å1.47Å
CAXCASsing1.42Å1.39ÅAromatic
CAXCBBsing1.41Å1.40ÅAromatic
CASCAYsing1.40Å1.39ÅAromatic
CBBCBFdoub1.36Å1.39ÅAromatic
CAYCBCdoub1.37Å1.39ÅAromatic
CARCAWsing1.51Å1.53Å
CBFCBCsing1.40Å1.39ÅAromatic
CBACAWdoub1.34Å1.33ÅAromatic
CBASBEsing1.71Å1.70ÅAromatic
CBCOBGsing1.36Å1.36Å
CAWCAZsing1.38Å1.33ÅAromatic
SBECBDsing1.76Å1.71ÅAromatic
OBGCBIsing1.43Å1.43Å
CAZCBDdoub1.36Å1.33ÅAromatic
CBDCBHsing1.47Å1.39Å
CBHNBKdoub1.31Å1.33Å
CBHNBJsing1.38Å1.33Å
CANH1sing1.08Å1.08Å
CAYH2sing1.08Å1.08Å
CBIH3sing1.09Å1.10Å
CBIH4sing1.09Å1.10Å
CBIH5sing1.09Å1.10Å
CBFH6sing1.08Å1.08Å
CBBH7sing1.08Å1.08Å
CATH8sing1.08Å1.08Å
CAOH9sing1.08Å1.08Å
CADH10sing1.09Å1.10Å
CADH11sing1.09Å1.10Å
CAPH12sing1.08Å1.08Å
CAUH13sing1.08Å1.08Å
CAQH14sing1.08Å1.08Å
CAH15sing1.09Å1.10Å
CBH16sing1.09Å1.10Å
CBH17sing1.09Å1.10Å
CAMH18sing1.09Å1.10Å
CAMH19sing1.09Å1.10Å
CARH20sing1.09Å1.10Å
CARH21sing1.09Å1.10Å
CAZH22sing1.08Å1.08Å
CBAH23sing1.08Å1.08Å
NBKH24sing0.97Å1.00Å
NBJH25sing0.97Å1.00Å
NBJH26sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
SAVCAQCAJ107.5°109.6°
CAQSAVCAU95.1°90.9°
SAVCAQH14126.2°125.2°
CAQCAJCAD123.1°122.5°
CAQCAJCAP113.7°114.9°
CAJCAQH14126.3°125.2°
SAVCAUCAP105.0°109.6°
SAVCAUH13127.5°125.2°
CAJCADN110.9°109.4°
CADCAJCAP123.2°122.5°
CAJCADH10109.1°109.5°
CAJCADH11109.1°109.5°
CADNCA112.3°119.9°
CADNSAC114.3°120.0°
NCADH10109.1°109.4°
NCADH11109.1°109.5°
CAJCAPCAU118.7°114.9°
CAJCAPH12120.7°122.5°
OAISACN111.4°106.4°
OAISACCAG110.5°106.4°
OAISACOAH110.9°123.1°
CACBCAM99.4°101.8°
CBCAN116.2°110.5°
CBCAC100.9°104.1°
CBCAH15108.7°110.6°
CACBH16111.9°111.0°
CACBH17111.9°111.0°
CBCAMNAK103.4°105.5°
CAMCBH16111.9°110.9°
CAMCBH17111.9°111.0°
CBCAMH18111.0°110.2°
CBCAMH19111.0°110.2°
CANSAC116.6°120.0°
NCAC112.4°110.5°
NCAH15109.4°110.5°
NSACCAG104.5°107.2°
NSACOAH110.4°106.4°
CAUCAPH12120.7°122.6°
CAPCAUH13127.5°125.2°
CACNAK109.7°110.2°
CACO124.9°124.9°
CCAH15108.7°110.5°
CAGSACOAH108.9°106.4°
SACCAGCAO121.7°119.5°
SACCAGCAN117.7°119.5°
CAMNAKC109.4°111.3°
CAMNAKCAR125.7°124.3°
NAKCAMH18111.0°110.3°
NAKCAMH19111.0°110.2°
CAGCAOCAT118.5°121.0°
CAOCAGCAN120.6°121.0°
CAGCAOH9120.7°119.5°
CAOCATCAX121.1°119.7°
CAOCATH8119.4°120.2°
CATCAOH9120.7°119.5°
CAGCANCAS120.6°119.6°
CAGCANH1119.7°120.2°
CATCAXCAS119.8°119.3°
CATCAXCBB121.1°121.2°
CAXCATH8119.4°120.1°
CANCASCAX119.4°119.4°
CANCASCAY120.6°121.2°
CASCANH1119.7°120.2°
NAKCO125.3°125.0°
CNAKCAR124.9°124.4°
NAKCARCAW115.8°109.5°
NAKCARH20107.9°109.6°
NAKCARH21107.9°109.5°
CASCAXCBB119.1°119.5°
CAXCASCAY120.1°119.4°
CAXCBBCBF120.7°119.8°
CAXCBBH7119.6°120.2°
CASCAYCBC121.0°119.6°
CASCAYH2119.5°120.2°
CBBCBFCBC120.2°120.9°
CBBCBFH6119.9°119.5°
CBFCBBH7119.6°120.1°
CAYCBCCBF118.8°120.9°
CAYCBCOBG122.6°119.5°
CBCCAYH2119.5°120.2°
CARCAWCBA123.1°122.5°
CARCAWCAZ121.7°122.4°
CAWCARH20107.9°109.4°
CAWCARH21107.9°109.4°
CBFCBCOBG118.5°119.6°
CBCCBFH6119.9°119.6°
CAWCBASBE107.3°111.0°
CBACAWCAZ115.2°115.1°
CAWCBAH23126.4°124.5°
CBASBECBD94.4°91.6°
SBECBAH23126.3°124.6°
CBCOBGCBI117.5°117.0°
CAWCAZCBD116.9°113.3°
CAWCAZH22121.6°123.4°
SBECBDCAZ106.2°109.1°
SBECBDCBH122.9°125.4°
OBGCBIH3109.5°109.5°
OBGCBIH4109.4°109.5°
OBGCBIH5109.5°109.5°
CAZCBDCBH130.9°125.4°
CBDCAZH22121.6°123.4°
CBDCBHNBK119.7°120.0°
CBDCBHNBJ121.0°120.0°
NBKCBHNBJ119.3°120.0°
CBHNBKH24112.0°120.0°
CBHNBJH25120.0°120.0°
CBHNBJH26120.0°120.0°
H3CBIH4109.5°109.5°
H3CBIH5109.5°109.5°
H4CBIH5109.5°109.4°
H10CADH11109.5°109.5°
H16CBH17109.5°110.9°
H18CAMH19109.5°110.3°
H20CARH21109.4°109.5°
H25NBJH26120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
SAVCAQCAJH14180.0°179.7°
SAVCAQCAJCAD178.3°179.9°
SAVCAQCAJCAP0.6°0.4°
CAQSAVCAUCAP0.0°0.2°
CAQSAVCAUH13180.0°179.9°
CAJCAQSAVCAU0.3°0.4°
CAQCAJCADCAP178.7°179.6°
CAQCAJCADN151.4°93.2°
CAQCAJCAPCAU0.6°0.3°
CAQCAJCADH1088.4°146.9°
CAQCAJCADH1131.2°26.8°
CAQCAJCAPH12179.4°179.8°
SAVCAUCAPCAJ0.3°0.0°
SAVCAUCAPH13180.0°179.9°
SAVCAUCAPH12179.7°179.9°
CAUSAVCAQH14179.6°180.0°
CAJCADNH10120.2°120.0°
CAJCADNH11120.2°120.0°
CAJCADNCA77.0°84.5°
CAJCADNSAC147.2°95.6°
CADCAJCAPCAU178.2°179.9°
CAJCADH10H11119.3°120.1°
CADCAJCAPH121.7°0.1°
CADCAJCAQH141.7°0.3°
NCADCAJCAP27.3°87.2°
CADNSACOAI37.3°27.7°
CADNCACB90.7°82.6°
CADNCASAC134.7°180.0°
CADNCAC153.8°162.7°
CADNSACCAG82.1°85.9°
CADNSACOAH161.0°160.6°
NCADH10H11119.3°120.0°
CADNCAH1532.9°40.1°
CAJCAPCAUH12180.0°179.9°
CAPCAJCADH1092.9°32.7°
CAPCAJCADH11147.6°152.8°
CAJCAPCAUH13179.7°179.9°
CAPCAJCAQH14179.4°179.9°
OAISACNCA96.6°152.3°
OAISACNCAG119.4°113.6°
OAISACNOAH123.7°132.9°
OAISACCAGOAH122.1°132.9°
OAISACCAGCAO27.9°30.3°
OAISACCAGCAN150.6°149.2°
CACBCAMH16118.4°118.1°
CACBCAMH17118.3°118.2°
CBCANC115.6°114.7°
CBCANH15123.6°122.7°
CBCANSAC44.0°97.4°
CBCACH15114.2°118.8°
CACBCAMNAK39.1°25.5°
CBCACNAK25.1°16.2°
CBCACO154.1°163.8°
CACBH16H17124.7°123.8°
CACBCAMH18158.1°93.6°
CACBCAMH1979.9°144.4°
CAMCBCAN159.7°93.8°
CAMCBCAC37.9°24.8°
CBCAMNAKH18119.0°119.0°
CBCAMNAKH19119.0°118.9°
CBCAMNAKC25.5°17.1°
CBCAMNAKCAR155.4°163.0°
CAMCBCAH1576.4°143.5°
CAMCBH16H17124.7°123.8°
CBCAMH18H19122.8°121.9°
NCACH15121.3°122.6°
CANSACCAG144.1°94.1°
CANSACOAH27.2°19.5°
NCACNAK149.6°102.4°
NCACO29.6°77.6°
CANCADH10162.7°155.6°
CANCADH1143.2°35.5°
NCACBH1641.4°24.3°
NCACBH1781.9°148.0°
SACNCAC71.6°17.3°
NSACCAGOAH118.0°113.5°
NSACCAGCAO147.8°83.3°
NSACCAGCAN30.6°97.3°
SACNCADH1027.0°24.4°
SACNCADH1192.6°144.4°
SACNCAH15167.5°139.9°
CACNAKCAM0.1°0.5°
CACNAKO179.3°180.0°
CACNAKCAR179.2°179.6°
CCACBH1680.5°142.9°
CCACBH17156.2°93.3°
SACCAGCAOCAN178.4°179.4°
SACCAGCAOCAT178.4°180.0°
SACCAGCANCAS178.2°180.0°
SACCAGCANH11.8°0.3°
SACCAGCAOH91.7°0.6°
OAHSACCAGCAO94.2°163.2°
OAHSACCAGCAN87.4°16.3°
CAMNAKCCAR179.1°179.9°
CAMNAKCO179.4°179.5°
CAMNAKCARCAW72.8°86.0°
NAKCAMCBH1679.2°143.6°
NAKCAMCBH17157.5°92.7°
NAKCAMH18H19122.8°122.0°
CAMNAKCARH2048.1°34.0°
CAMNAKCARH21166.2°154.1°
CAGCAOCATH9180.0°179.4°
CAGCAOCATCAX0.3°0.4°
CAOCAGCANCAS0.3°0.6°
CAOCAGCANH1179.8°179.7°
CAGCAOCATH8179.7°179.8°
CATCAOCAGCAN0.0°0.6°
CAOCATCAXH8180.0°179.8°
CAOCATCAXCAS0.3°0.1°
CAOCATCAXCBB178.6°180.0°
CAGCANCASH1180.0°179.7°
CAGCANCASCAX0.2°0.3°
CAGCANCASCAY178.9°179.7°
CANCAGCAOH9180.0°180.0°
CATCAXCASCAN0.1°0.1°
CATCAXCASCBB179.0°179.9°
CATCAXCASCAY179.2°179.9°
CATCAXCBBCBF178.9°180.0°
CATCAXCBBH71.1°0.2°
CAXCATCAOH9179.7°179.8°
CANCASCAXCAY179.1°180.0°
CANCASCAXCBB178.9°179.9°
CANCASCAYCBC178.8°180.0°
CANCASCAYH21.2°0.1°
CNAKCARCAW108.2°94.0°
NAKCCAH1589.1°135.0°
CNAKCAMH18144.5°101.9°
CNAKCAMH1993.6°136.0°
CNAKCARH20130.8°146.0°
CNAKCARH2112.7°25.9°
OCNAKCAR1.6°0.4°
OCCAH1591.7°45.0°
NAKCARCAWH20120.9°120.1°
NAKCARCAWH21120.9°120.0°
NAKCARCAWCBA21.4°96.7°
NAKCARCAWCAZ159.3°83.7°
CARNAKCAMH1836.4°78.0°
CARNAKCAMH1985.5°44.1°
NAKCARH20H21117.1°120.1°
CASCAXCBBCBF0.1°0.1°
CAXCASCAYCBC0.3°0.0°
CAXCASCANH1179.8°180.0°
CAXCASCAYH2179.7°179.9°
CASCAXCBBH7179.9°180.0°
CASCAXCATH8179.7°179.9°
CBBCAXCASCAY0.2°0.1°
CAXCBBCBFH7180.0°179.9°
CAXCBBCBFCBC0.2°0.1°
CAXCBBCBFH6179.7°180.0°
CBBCAXCATH81.3°0.2°
CASCAYCBCH2180.0°179.9°
CASCAYCBCCBF0.1°0.0°
CASCAYCBCOBG176.6°180.0°
CAYCASCANH11.1°0.0°
CBBCBFCBCCAY0.2°0.0°
CBBCBFCBCH6180.0°179.9°
CBBCBFCBCOBG176.5°180.0°
CAYCBCCBFOBG176.7°180.0°
CAYCBCOBGCBI3.4°180.0°
CAYCBCCBFH6179.8°180.0°
CARCAWCBACAZ179.4°179.7°
CARCAWCBASBE179.5°180.0°
CARCAWCAZCBD179.7°180.0°
CAWCARH20H21117.1°119.9°
CARCAWCAZH220.3°0.0°
CARCAWCBAH230.6°0.1°
CBFCBCOBGCBI180.0°0.0°
CBFCBCCAYH2179.9°180.0°
CBCCBFCBBH7179.8°180.0°
CAWCBASBEH23180.0°179.9°
CAWCBASBECBD0.1°0.2°
CBACAWCAZCBD0.3°0.3°
CBACAWCARH20142.3°143.2°
CBACAWCARH2199.5°23.3°
CBACAWCAZH22179.7°179.7°
SBECBACAWCAZ0.0°0.3°
CBASBECBDCAZ0.2°0.0°
CBASBECBDCBH179.0°179.8°
OBGCBCCAYH23.3°0.0°
CBCOBGCBIH3180.0°60.0°
CBCOBGCBIH460.0°60.0°
CBCOBGCBIH560.0°180.0°
OBGCBCCBFH63.5°0.0°
CAWCAZCBDSBE0.3°0.2°
CAWCAZCBDH22180.0°180.0°
CAWCAZCBDCBH178.8°180.0°
CAZCAWCARH2038.3°36.4°
CAZCAWCARH2179.8°156.4°
CAZCAWCBAH23180.0°179.7°
SBECBDCAZCBH179.1°179.8°
SBECBDCBHNBK6.2°179.9°
SBECBDCBHNBJ174.1°0.2°
SBECBDCAZH22179.7°179.9°
CBDSBECBAH23179.8°179.9°
OBGCBIH3H4120.0°120.0°
OBGCBIH3H5120.0°120.0°
OBGCBIH4H5120.0°120.0°
CAZCBDCBHNBK174.8°0.1°
CAZCBDCBHNBJ4.9°180.0°
CBDCBHNBKNBJ179.7°179.9°
CBHCBDCAZH221.2°0.1°
CBDCBHNBKH24179.7°180.0°
CBDCBHNBJH25179.7°0.1°
CBDCBHNBJH260.3°180.0°
NBKCBHNBJH250.0°180.0°
NBKCBHNBJH26180.0°0.1°
NBJCBHNBKH240.0°0.1°
CBHNBJH25H26179.9°179.9°
H3CBIH4H5120.0°120.0°
H6CBFCBBH70.3°0.1°
H8CATCAOH90.3°0.4°
H12CAPCAUH130.3°0.0°
H15CACBH16165.3°98.4°
H15CACBH1742.0°25.4°
H16CBCAMH1839.8°24.5°
H16CBCAMH19161.7°97.5°
H17CBCAMH1883.5°148.2°
H17CBCAMH1938.4°26.3°

224931

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