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HEA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
FENAsing1.85Å1.99Å
FENBsing1.84Å1.97Å
FENCsing1.85Å2.03Å
FENDsing1.84Å1.92Å
CHAC1Adoub1.40Å1.35Å
CHAC4Dsing1.41Å1.37Å
CHAHHAsing1.08Å1.08Å
CHBC4Adoub1.39Å1.40Å
CHBC1Bsing1.41Å1.40Å
CHBHHBsing1.08Å1.08Å
CHCC4Bdoub1.40Å1.36Å
CHCC1Csing1.40Å1.34Å
CHCHHCsing1.08Å1.08Å
CHDC4Csing1.39Å1.38Å
CHDC1Ddoub1.41Å1.38Å
CHDHHDsing1.08Å1.08Å
NAC1Asing1.39Å1.39ÅAromatic
NAC4Asing1.37Å1.39ÅAromatic
C1AC2Asing1.39Å1.45ÅAromatic
C2AC3Adoub1.41Å1.38ÅAromatic
C2ACAAsing1.51Å1.55Å
C3AC4Asing1.41Å1.47ÅAromatic
C3ACMAsing1.47Å1.37Å
CMAOMAdoub1.21Å1.20Å
CMAHMAsing1.08Å1.08Å
CAACBAsing1.53Å1.54Å
CAAHAA1sing1.09Å1.10Å
CAAHAA2sing1.09Å1.10Å
CBACGAsing1.51Å1.53Å
CBAHBA1sing1.09Å1.10Å
CBAHBA2sing1.09Å1.10Å
CGAO1Adoub1.21Å1.24Å
CGAO2Asing1.34Å1.24Å
O2AH2Asing0.97Å0.95Å
NBC1Bdoub1.34Å1.37Å
NBC4Bsing1.34Å1.39Å
C1BC2Bsing1.46Å1.45Å
C2BC3Bdoub1.38Å1.37Å
C2BCMBsing1.51Å1.49Å
C3BC4Bsing1.46Å1.48Å
C3BC11sing1.51Å1.51Å
CMBHMB1sing1.09Å1.10Å
CMBHMB2sing1.09Å1.10Å
CMBHMB3sing1.09Å1.10Å
NCC1Csing1.39Å1.39ÅAromatic
NCC4Csing1.38Å1.35ÅAromatic
C1CC2Cdoub1.39Å1.44ÅAromatic
C2CC3Csing1.41Å1.34ÅAromatic
C2CCMCsing1.51Å1.50Å
C3CC4Cdoub1.41Å1.47ÅAromatic
C3CCACsing1.47Å1.48Å
CMCHMC1sing1.09Å1.10Å
CMCHMC2sing1.09Å1.10Å
CMCHMC3sing1.09Å1.10Å
CACCBCdoub1.33Å1.33Å
CACHACsing1.08Å1.08Å
CBCHBC1sing1.08Å1.08Å
CBCHBC2sing1.08Å1.08Å
NDC1Dsing1.34Å1.37Å
NDC4Ddoub1.34Å1.38Å
C1DC2Dsing1.46Å1.49Å
C2DC3Ddoub1.38Å1.36Å
C2DCMDsing1.51Å1.55Å
C3DC4Dsing1.46Å1.43Å
C3DCADsing1.51Å1.53Å
CMDHMD1sing1.09Å1.10Å
CMDHMD2sing1.09Å1.10Å
CMDHMD3sing1.09Å1.10Å
CADCBDsing1.53Å1.48Å
CADHAD1sing1.09Å1.10Å
CADHAD2sing1.09Å1.10Å
CBDCGDsing1.51Å1.48Å
CBDHBD1sing1.09Å1.10Å
CBDHBD2sing1.09Å1.10Å
CGDO1Ddoub1.21Å1.25Å
CGDO2Dsing1.34Å1.25Å
O2DH2Dsing0.97Å0.95Å
C11O11sing1.43Å1.43Å
C11C12sing1.53Å1.52Å
C11H11sing1.09Å1.10Å
O11HO1sing0.97Å0.95Å
C12C13sing1.53Å1.52Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C13C14sing1.51Å1.51Å
C13H131sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C14C15doub1.31Å1.34Å
C14H14sing1.08Å1.08Å
C15C16sing1.51Å1.48Å
C15C26sing1.51Å1.50Å
C16C17sing1.53Å1.54Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C17C18sing1.51Å1.51Å
C17H171sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C18C19doub1.31Å1.35Å
C18H18sing1.08Å1.08Å
C19C20sing1.51Å1.48Å
C19C27sing1.51Å1.53Å
C20C21sing1.53Å1.51Å
C20H201sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C21C22sing1.51Å1.52Å
C21H211sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
C22C23doub1.31Å1.36Å
C22H22sing1.08Å1.08Å
C23C24sing1.51Å1.50Å
C23C25sing1.51Å1.49Å
C24H241sing1.09Å1.10Å
C24H242sing1.09Å1.10Å
C24H243sing1.09Å1.10Å
C25H251sing1.09Å1.10Å
C25H252sing1.09Å1.10Å
C25H253sing1.09Å1.10Å
C26H261sing1.09Å1.10Å
C26H262sing1.09Å1.10Å
C26H263sing1.09Å1.10Å
C27H271sing1.09Å1.10Å
C27H272sing1.09Å1.10Å
C27H273sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NAFENB91.3°99.4°
NAFENC170.2°130.5°
NAFEND90.9°99.6°
FENAC1A126.8°123.0°
FENAC4A128.2°123.2°
NBFENC87.0°99.6°
NBFEND174.3°133.6°
FENBC1B126.6°122.9°
FENBC4B129.1°123.2°
NCFEND90.0°99.3°
FENCC1C129.0°123.1°
FENCC4C127.3°123.2°
FENDC1D128.9°123.0°
FENDC4D126.8°123.2°
C1ACHAC4D124.4°127.5°
C1ACHAHHA117.8°116.3°
CHAC1ANA122.0°121.5°
CHAC1AC2A125.3°136.0°
C4DCHAHHA117.8°116.3°
CHAC4DND124.7°122.7°
CHAC4DC3D122.5°134.2°
C4ACHBC1B126.0°127.1°
C4ACHBHHB117.0°116.5°
CHBC4ANA120.2°121.5°
CHBC4AC3A128.1°136.4°
C1BCHBHHB117.0°116.4°
CHBC1BNB124.4°123.0°
CHBC1BC2B123.2°133.7°
C4BCHCC1C124.7°127.7°
C4BCHCHHC117.7°116.1°
CHCC4BNB125.7°122.9°
CHCC4BC3B122.3°133.9°
C1CCHCHHC117.7°116.2°
CHCC1CNC124.0°121.4°
CHCC1CC2C123.6°136.2°
C4CCHDC1D126.9°127.1°
C4CCHDHHD116.6°116.5°
CHDC4CNC121.9°121.4°
CHDC4CC3C125.8°136.6°
C1DCHDHHD116.5°116.5°
CHDC1DND122.3°122.9°
CHDC1DC2D125.9°134.0°
C1ANAC4A103.8°109.2°
NAC1AC2A112.6°102.4°
NAC4AC3A111.4°101.9°
C1AC2AC3A105.8°107.9°
C1AC2ACAA123.9°126.0°
C3AC2ACAA130.2°126.0°
C2AC3AC4A106.3°106.9°
C2AC3ACMA125.5°126.6°
C2ACAACBA115.5°109.4°
C2ACAAHAA1107.5°109.5°
C2ACAAHAA2107.5°109.4°
C4AC3ACMA128.0°126.5°
C3ACMAOMA119.8°120.0°
C3ACMAHMA120.1°120.0°
OMACMAHMA120.1°120.0°
CBACAAHAA1107.5°109.5°
CBACAAHAA2107.5°109.5°
CAACBACGA113.6°109.4°
CAACBAHBA1108.1°109.5°
CAACBAHBA2108.1°109.5°
HAA1CAAHAA2111.4°109.5°
CGACBAHBA1108.1°109.5°
CGACBAHBA2108.1°109.5°
CBACGAO1A117.9°120.0°
CBACGAO2A119.8°120.0°
HBA1CBAHBA2110.8°109.5°
O1ACGAO2A122.3°120.0°
CGAO2AH2A109.5°117.0°
C1BNBC4B104.0°107.4°
NBC1BC2B112.2°103.0°
NBC4BC3B111.7°103.0°
C1BC2BC3B107.2°105.7°
C1BC2BCMB126.3°127.2°
C3BC2BCMB126.5°127.1°
C2BC3BC4B104.9°105.7°
C2BC3BC11126.3°127.1°
C2BCMBHMB1109.5°109.5°
C2BCMBHMB2109.4°109.5°
C2BCMBHMB3109.5°109.5°
C4BC3BC11128.7°127.1°
C3BC11O11109.0°109.5°
C3BC11C12113.1°109.4°
C3BC11H11105.9°109.5°
HMB1CMBHMB2109.5°109.5°
HMB1CMBHMB3109.5°109.4°
HMB2CMBHMB3109.5°109.5°
C1CNCC4C103.6°109.0°
NCC1CC2C112.0°102.3°
NCC4CC3C112.2°101.8°
C1CC2CC3C106.1°108.0°
C1CC2CCMC125.2°126.0°
C3CC2CCMC128.3°126.0°
C2CC3CC4C106.0°106.9°
C2CC3CCAC127.9°126.6°
C2CCMCHMC1109.5°109.5°
C2CCMCHMC2109.4°109.4°
C2CCMCHMC3109.4°109.5°
C4CC3CCAC125.9°126.6°
C3CCACCBC123.8°120.0°
C3CCACHAC118.1°120.0°
HMC1CMCHMC2109.5°109.5°
HMC1CMCHMC3109.5°109.5°
HMC2CMCHMC3109.5°109.5°
CBCCACHAC118.1°120.0°
CACCBCHBC1120.0°120.0°
CACCBCHBC2120.0°120.0°
HBC1CBCHBC2120.0°120.0°
C1DNDC4D103.9°107.3°
NDC1DC2D111.8°102.8°
NDC4DC3D112.5°102.8°
C1DC2DC3D104.5°105.7°
C1DC2DCMD130.4°127.2°
C3DC2DCMD125.0°127.1°
C2DC3DC4D107.3°105.6°
C2DC3DCAD128.3°127.2°
C2DCMDHMD1109.5°109.5°
C2DCMDHMD2109.4°109.5°
C2DCMDHMD3109.5°109.4°
C4DC3DCAD123.1°127.2°
C3DCADCBD113.0°109.5°
C3DCADHAD1108.3°109.5°
C3DCADHAD2108.3°109.4°
HMD1CMDHMD2109.5°109.5°
HMD1CMDHMD3109.4°109.5°
HMD2CMDHMD3109.5°109.5°
CBDCADHAD1108.3°109.5°
CBDCADHAD2108.3°109.5°
CADCBDCGD112.3°109.5°
CADCBDHBD1108.5°109.5°
CADCBDHBD2108.6°109.5°
HAD1CADHAD2110.6°109.5°
CGDCBDHBD1108.6°109.5°
CGDCBDHBD2108.6°109.4°
CBDCGDO1D116.7°120.0°
CBDCGDO2D117.8°120.0°
HBD1CBDHBD2110.4°109.5°
O1DCGDO2D125.4°120.0°
CGDO2DH2D109.5°117.0°
O11C11C12104.6°109.5°
O11C11H11114.2°109.5°
C11O11HO1109.5°114.0°
C12C11H11110.2°109.5°
C11C12C13113.9°109.5°
C11C12H121108.0°109.5°
C11C12H122108.0°109.5°
C13C12H121108.0°109.5°
C13C12H122108.1°109.5°
C12C13C14110.1°109.5°
C12C13H131109.2°109.5°
C12C13H132109.3°109.5°
H121C12H122110.9°109.5°
C14C13H131109.3°109.5°
C14C13H132109.3°109.5°
C13C14C15122.5°120.0°
C13C14H14118.8°120.0°
H131C13H132109.7°109.4°
C15C14H14118.8°120.0°
C14C15C16124.5°120.0°
C14C15C26118.4°120.0°
C16C15C26117.2°120.0°
C15C16C17115.1°109.5°
C15C16H161107.6°109.4°
C15C16H162107.6°109.5°
C15C26H261109.5°109.4°
C15C26H262109.4°109.5°
C15C26H263109.5°109.4°
C17C16H161107.6°109.5°
C17C16H162107.6°109.5°
C16C17C18113.8°109.5°
C16C17H171108.1°109.5°
C16C17H172108.1°109.4°
H161C16H162111.3°109.5°
C18C17H171108.0°109.5°
C18C17H172108.0°109.4°
C17C18C19124.6°120.0°
C17C18H18117.7°120.0°
H171C17H172110.8°109.5°
C19C18H18117.7°120.0°
C18C19C20116.5°120.0°
C18C19C27128.0°120.0°
C20C19C27115.2°120.0°
C19C20C21114.0°109.5°
C19C20H201108.0°109.5°
C19C20H202108.0°109.5°
C19C27H271109.5°109.5°
C19C27H272109.5°109.5°
C19C27H273109.5°109.4°
C21C20H201108.0°109.4°
C21C20H202108.0°109.4°
C20C21C22113.5°109.5°
C20C21H211108.2°109.5°
C20C21H212108.1°109.4°
H201C20H202110.9°109.5°
C22C21H211108.1°109.5°
C22C21H212108.2°109.5°
C21C22C23125.5°120.0°
C21C22H22117.3°120.0°
H211C21H212110.7°109.5°
C23C22H22117.2°120.0°
C22C23C24123.5°120.0°
C22C23C25121.1°120.0°
C24C23C25115.4°120.0°
C23C24H241109.5°109.5°
C23C24H242109.5°109.4°
C23C24H243109.5°109.5°
C23C25H251109.5°109.5°
C23C25H252109.5°109.5°
C23C25H253109.5°109.5°
H241C24H242109.4°109.5°
H241C24H243109.5°109.5°
H242C24H243109.5°109.5°
H251C25H252109.5°109.4°
H251C25H253109.5°109.5°
H252C25H253109.4°109.5°
H261C26H262109.5°109.5°
H261C26H263109.4°109.5°
H262C26H263109.5°109.5°
H271C27H272109.5°109.5°
H271C27H273109.4°109.5°
H272C27H273109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NAFENBNC170.4°134.1°
NAFENBND112.0°113.1°
NAFENCND94.9°111.3°
FENAC1ACHA14.8°11.8°
FENAC4ACHB16.6°15.7°
FENAC1AC4A168.3°156.5°
FENAC1AC2A169.9°170.5°
FENAC4AC3A169.1°169.1°
NAFENBC1B2.5°6.4°
NAFENBC4B174.9°141.6°
NAFENCC1C80.9°105.5°
NAFENCC4C100.7°101.5°
NAFENDC1D172.3°140.5°
NAFENDC4D0.3°7.6°
NBFENCND175.1°137.4°
FENBC1BCHB8.6°16.8°
FENBC4BCHC3.4°15.1°
NBFENAC1A172.2°143.9°
NBFENAC4A6.8°9.4°
FENBC1BC4B173.9°152.3°
FENBC1BC2B177.1°169.0°
FENBC4BC3B177.0°169.4°
NBFENCC1C0.7°5.8°
NBFENCC4C179.1°147.2°
NBFENDC1D60.2°106.5°
NBFENDC4D111.7°105.4°
FENCC1CCHC5.0°12.1°
FENCC4CCHD2.0°16.0°
NCFENAC1A92.4°104.7°
NCFENAC4A73.1°102.0°
NCFENBC1B167.8°140.5°
NCFENBC4B4.5°7.5°
FENCC1CC4C178.7°156.3°
FENCC1CC2C178.2°170.3°
FENCC4CC3C179.8°168.9°
NCFENDC1D2.0°6.4°
NCFENDC4D169.9°141.7°
FENDC4DCHA10.6°17.0°
FENDC1DCHD9.6°17.3°
NDFENAC1A2.5°6.4°
NDFENAC4A167.9°146.9°
NDFENBC1B109.5°106.7°
NDFENBC4B62.8°105.3°
NDFENCC1C175.8°143.2°
NDFENCC4C5.8°9.8°
FENDC1DC4D173.4°152.4°
FENDC1DC2D173.7°168.3°
FENDC4DC3D175.5°168.4°
C1ACHAC4DHHA180.0°179.9°
CHAC1ANAC2A175.3°177.7°
CHAC1ANAC4A176.9°144.7°
CHAC1AC2AC3A176.7°159.6°
CHAC1AC2ACAA0.4°20.4°
C1ACHAC4DND24.7°12.6°
C1ACHAC4DC3D161.9°174.8°
C4DCHAC1ANA26.4°3.1°
C4DCHAC1AC2A158.9°179.9°
CHAC4DNDC1D175.9°135.4°
CHAC4DNDC3D173.9°174.6°
CHAC4DC3DC2D177.1°150.7°
CHAC4DC3DCAD9.1°29.2°
HHACHAC1ANA153.6°177.1°
HHACHAC1AC2A21.1°0.3°
HHACHAC4DND155.3°167.3°
HHACHAC4DC3D18.0°5.4°
C4ACHBC1BHHB180.0°180.0°
CHBC4ANAC1A175.3°140.8°
CHBC4ANAC3A174.3°175.2°
CHBC4AC3AC2A173.8°152.3°
CHBC4AC3ACMA10.6°27.6°
C4ACHBC1BNB19.1°12.0°
C4ACHBC1BC2B167.2°175.8°
C1BCHBC4ANA22.7°5.6°
C1BCHBC4AC3A164.0°178.8°
CHBC1BNBC2B174.3°174.2°
CHBC1BNBC4B177.5°135.6°
CHBC1BC2BC3B176.3°150.5°
CHBC1BC2BCMB1.5°29.5°
HHBCHBC4ANA157.3°174.4°
HHBCHBC4AC3A16.0°1.2°
HHBCHBC1BNB160.9°167.9°
HHBCHBC1BC2B12.8°4.2°
C4BCHCC1CHHC180.0°180.0°
CHCC4BNBC1B170.3°137.1°
CHCC4BNBC3B173.6°175.5°
CHCC4BC3BC2B171.6°152.5°
CHCC4BC3BC114.6°27.5°
C4BCHCC1CNC7.8°5.6°
C4BCHCC1CC2C179.7°177.9°
C1CCHCC4BNB3.7°9.2°
C1CCHCC4BC3B169.2°176.8°
CHCC1CNCC2C173.2°177.5°
CHCC1CNCC4C173.8°144.2°
CHCC1CC2CC3C175.3°159.1°
CHCC1CC2CCMC10.8°20.9°
HHCCHCC4BNB176.3°170.7°
HHCCHCC4BC3B10.8°3.2°
HHCCHCC1CNC172.2°174.5°
HHCCHCC1CC2C0.3°2.0°
C4CCHDC1DHHD180.0°180.0°
CHDC4CNCC1C176.7°140.2°
CHDC4CNCC3C177.8°175.1°
CHDC4CC3CC2C175.3°151.9°
CHDC4CC3CCAC9.1°28.1°
C4CCHDC1DND21.4°12.6°
C4CCHDC1DC2D162.4°175.0°
C1DCHDC4CNC17.3°5.4°
C1DCHDC4CC3C165.2°178.4°
CHDC1DNDC2D176.7°174.4°
CHDC1DNDC4D177.0°135.2°
CHDC1DC2DC3D175.1°150.6°
CHDC1DC2DCMD1.3°29.5°
HHDCHDC4CNC162.7°174.5°
HHDCHDC4CC3C14.8°1.5°
HHDCHDC1DND158.6°167.4°
HHDCHDC1DC2D17.6°5.0°
NAC1AC2AC3A1.6°17.5°
NAC1AC2ACAA175.6°162.5°
C1ANAC4AC3A1.0°34.4°
C4ANAC1AC2A1.6°33.0°
NAC4AC3AC2A0.1°21.8°
NAC4AC3ACMA175.7°158.3°
C1AC2AC3ACAA176.9°180.0°
C1AC2AC3AC4A0.8°2.6°
C1AC2AC3ACMA174.9°177.5°
C1AC2ACAACBA107.4°85.0°
C1AC2ACAAHAA112.6°35.0°
C1AC2ACAAHAA2132.6°155.0°
C2AC3AC4ACMA175.6°179.9°
C2AC3ACMAOMA175.2°180.0°
C2AC3ACMAHMA4.8°0.1°
C3AC2ACAACBA69.0°94.9°
C3AC2ACAAHAA1171.0°145.0°
C3AC2ACAAHAA251.0°25.0°
CAAC2AC3AC4A176.0°177.4°
CAAC2AC3ACMA8.2°2.5°
C2ACAACBAHAA1120.0°120.0°
C2ACAACBAHAA2120.0°119.9°
C2ACAAHAA1HAA2117.5°120.0°
C2ACAACBACGA171.1°NaN°
C2ACAACBAHBA168.9°60.0°
C2ACAACBAHBA251.1°60.0°
C4AC3ACMAOMA0.4°0.1°
C4AC3ACMAHMA179.6°180.0°
C3ACMAOMAHMA180.0°179.9°
CBACAAHAA1HAA2117.5°120.0°
CAACBACGAHBA1120.0°120.0°
CAACBACGAHBA2120.0°120.0°
CAACBAHBA1HBA2118.3°120.0°
CAACBACGAO1A146.0°0.0°
CAACBACGAO2A34.4°180.0°
HAA1CAACBACGA51.2°60.0°
HAA1CAACBAHBA1171.2°NaN°
HAA1CAACBAHBA268.9°60.0°
HAA2CAACBACGA68.9°60.1°
HAA2CAACBAHBA151.1°59.9°
HAA2CAACBAHBA2171.1°180.0°
CGACBAHBA1HBA2118.3°120.0°
CBACGAO1AO2A179.6°180.0°
CBACGAO2AH2A179.6°179.9°
HBA1CBACGAO1A26.0°120.0°
HBA1CBACGAO2A154.4°60.0°
HBA2CBACGAO1A94.0°120.0°
HBA2CBACGAO2A85.6°60.0°
O1ACGAO2AH2A0.0°0.0°
NBC1BC2BC3B2.0°22.8°
NBC1BC2BCMB175.9°157.2°
C1BNBC4BC3B3.3°38.4°
C4BNBC1BC2B3.2°38.6°
NBC4BC3BC2B2.2°22.3°
NBC4BC3BC11178.4°157.7°
C1BC2BC3BCMB177.9°180.0°
C1BC2BC3BC4B0.2°0.3°
C1BC2BC3BC11176.5°179.7°
C1BC2BCMBHMB1180.0°0.0°
C1BC2BCMBHMB260.0°120.0°
C1BC2BCMBHMB360.0°120.0°
C2BC3BC4BC11176.2°180.0°
C3BC2BCMBHMB12.5°180.0°
C3BC2BCMBHMB2117.4°60.0°
C3BC2BCMBHMB3122.6°60.0°
C2BC3BC11O11133.8°125.0°
C2BC3BC11C12110.3°115.0°
C2BC3BC11H1110.5°5.0°
CMBC2BC3BC4B178.0°179.7°
CMBC2BC3BC115.7°0.3°
C2BCMBHMB1HMB2120.0°120.1°
C2BCMBHMB1HMB3120.0°120.0°
C2BCMBHMB2HMB3120.0°120.0°
C4BC3BC11O1141.7°54.9°
C4BC3BC11C1274.2°65.0°
C4BC3BC11H11165.0°175.0°
C3BC11O11C12121.2°120.0°
C3BC11O11H11118.2°120.0°
C3BC11C12H11118.3°120.0°
C3BC11O11HO1180.0°60.0°
C3BC11C12C13166.7°175.0°
C3BC11C12H12173.3°65.0°
C3BC11C12H12246.7°55.0°
HMB1CMBHMB2HMB3120.0°119.9°
NCC1CC2CC3C2.1°17.9°
NCC1CC2CCMC176.0°162.1°
C1CNCC4CC3C1.1°34.8°
C4CNCC1CC2C0.6°33.4°
NCC4CC3CC2C2.4°22.0°
NCC4CC3CCAC173.2°158.0°
C1CC2CC3CCMC173.6°180.0°
C1CC2CC3CC4C2.5°2.6°
C1CC2CC3CCAC172.9°177.4°
C1CC2CCMCHMC186.5°90.0°
C1CC2CCMCHMC2153.5°150.0°
C1CC2CCMCHMC333.5°30.0°
C2CC3CC4CCAC175.6°180.0°
C3CC2CCMCHMC186.0°90.0°
C3CC2CCMCHMC234.0°30.0°
C3CC2CCMCHMC3154.0°150.0°
C2CC3CCACCBC48.2°50.0°
C2CC3CCACHAC131.8°130.0°
CMCC2CC3CC4C176.2°177.4°
CMCC2CC3CCAC0.7°2.6°
C2CCMCHMC1HMC2120.0°120.0°
C2CCMCHMC1HMC3120.0°120.0°
C2CCMCHMC2HMC3120.0°120.0°
C4CC3CCACCBC137.2°130.0°
C4CC3CCACHAC42.8°50.0°
C3CCACCBCHAC180.0°180.0°
C3CCACCBCHBC1180.0°179.9°
C3CCACCBCHBC20.0°0.0°
HMC1CMCHMC2HMC3120.0°120.0°
CACCBCHBC1HBC2180.0°179.9°
HACCACCBCHBC10.0°0.1°
HACCACCBCHBC2180.0°180.0°
NDC1DC2DC3D1.5°22.9°
NDC1DC2DCMD177.9°157.0°
C1DNDC4DC3D2.0°39.2°
C4DNDC1DC2D0.3°39.2°
NDC4DC3DC2D3.0°22.9°
NDC4DC3DCAD165.0°157.1°
C1DC2DC3DCMD176.7°179.9°
C1DC2DC3DC4D2.5°0.0°
C1DC2DC3DCAD164.7°180.0°
C1DC2DCMDHMD1180.0°90.0°
C1DC2DCMDHMD260.0°149.9°
C1DC2DCMDHMD360.0°30.0°
C2DC3DC4DCAD168.0°179.9°
C3DC2DCMDHMD14.2°90.1°
C3DC2DCMDHMD2115.8°30.0°
C3DC2DCMDHMD3124.2°150.0°
C2DC3DCADCBD67.9°94.9°
C2DC3DCADHAD1172.0°145.0°
C2DC3DCADHAD252.1°25.0°
CMDC2DC3DC4D179.2°179.9°
CMDC2DC3DCAD12.0°0.1°
C2DCMDHMD1HMD2120.0°120.0°
C2DCMDHMD1HMD3120.0°120.0°
C2DCMDHMD2HMD3120.0°120.0°
C4DC3DCADCBD126.7°85.0°
C4DC3DCADHAD16.7°35.0°
C4DC3DCADHAD2113.3°155.0°
C3DCADCBDHAD1120.0°120.0°
C3DCADCBDHAD2120.0°119.9°
C3DCADHAD1HAD2118.5°119.9°
C3DCADCBDCGD177.1°180.0°
C3DCADCBDHBD162.9°60.0°
C3DCADCBDHBD257.1°60.1°
HMD1CMDHMD2HMD3120.0°120.0°
CBDCADHAD1HAD2118.5°120.1°
CADCBDCGDHBD1120.0°120.1°
CADCBDCGDHBD2120.0°119.9°
CADCBDHBD1HBD2118.8°120.0°
CADCBDCGDO1D74.9°0.0°
CADCBDCGDO2D106.2°180.0°
HAD1CADCBDCGD57.0°60.0°
HAD1CADCBDHBD1177.1°180.0°
HAD1CADCBDHBD263.0°59.9°
HAD2CADCBDCGD62.9°60.1°
HAD2CADCBDHBD157.1°59.9°
HAD2CADCBDHBD2177.1°180.0°
CGDCBDHBD1HBD2118.9°119.9°
CBDCGDO1DO2D178.8°179.9°
CBDCGDO2DH2D178.8°180.0°
HBD1CBDCGDO1D165.1°120.0°
HBD1CBDCGDO2D13.8°59.9°
HBD2CBDCGDO1D45.1°120.0°
HBD2CBDCGDO2D133.8°60.1°
O1DCGDO2DH2D0.0°0.1°
O11C11C12H11123.2°120.0°
O11C11C12C1374.8°65.0°
O11C11C12H12145.2°55.0°
O11C11C12H122165.2°175.0°
C12C11O11HO158.8°60.0°
C11C12C13H121120.0°120.0°
C11C12C13H122120.0°120.1°
C11C12H121H122118.1°120.0°
C11C12C13C14173.2°180.0°
C11C12C13H13166.8°60.0°
C11C12C13H13253.2°60.0°
H11C11O11HO161.8°180.0°
H11C11C12C1348.4°55.0°
H11C11C12H121168.4°175.0°
H11C11C12H12271.7°65.0°
C13C12H121H122118.2°120.0°
C12C13C14H131120.0°120.0°
C12C13C14H132120.0°120.1°
C12C13H131H132119.7°120.0°
C12C13C14C15111.7°120.8°
C12C13C14H1468.3°59.2°
H121C12C13C1453.2°60.0°
H121C12C13H131173.2°180.0°
H121C12C13H13266.8°60.0°
H122C12C13C1466.8°60.0°
H122C12C13H13153.2°60.0°
H122C12C13H132173.2°180.0°
C14C13H131H132119.7°120.0°
C13C14C15H14180.0°180.0°
C13C14C15C16176.4°174.2°
C13C14C15C262.4°5.9°
H131C13C14C158.3°0.8°
H131C13C14H14171.7°179.2°
H132C13C14C15128.3°119.1°
H132C13C14H1451.7°60.9°
C14C15C16C26178.8°180.0°
C14C15C16C1783.0°95.0°
C14C15C16H16137.0°145.0°
C14C15C16H162157.0°25.0°
C14C15C26H261180.0°84.8°
C14C15C26H26260.0°155.1°
C14C15C26H26360.0°35.1°
H14C14C15C163.6°5.8°
H14C14C15C26177.6°174.1°
C15C16C17H161120.0°120.0°
C15C16C17H162120.0°120.0°
C15C16H161H162117.7°120.0°
C15C16C17C1866.5°180.0°
C15C16C17H17153.5°60.0°
C15C16C17H172173.5°60.1°
C16C15C26H2611.1°95.2°
C16C15C26H262121.1°24.8°
C16C15C26H263118.9°144.8°
C26C15C16C1795.8°85.0°
C26C15C16H161144.2°35.0°
C26C15C16H16224.2°155.0°
C15C26H261H262120.0°120.0°
C15C26H261H263120.0°119.9°
C15C26H262H263120.0°119.9°
C17C16H161H162117.7°120.0°
C16C17C18H171120.0°120.0°
C16C17C18H172120.0°119.9°
C16C17H171H172118.3°120.0°
C16C17C18C19110.2°120.9°
C16C17C18H1869.7°59.2°
H161C16C17C18173.5°60.0°
H161C16C17H17166.5°180.0°
H161C16C17H17253.5°59.9°
H162C16C17C1853.5°60.0°
H162C16C17H171173.5°60.0°
H162C16C17H17266.5°179.9°
C18C17H171H172118.2°120.0°
C17C18C19H18180.0°179.9°
C17C18C19C20179.1°174.1°
C17C18C19C278.2°5.9°
H171C17C18C19129.7°0.8°
H171C17C18H1850.3°179.2°
H172C17C18C199.8°119.2°
H172C17C18H18170.2°60.7°
C18C19C20C27173.6°180.0°
C18C19C20C21110.3°95.0°
C18C19C20H2019.7°145.1°
C18C19C20H202129.7°25.0°
C18C19C27H271180.0°84.9°
C18C19C27H27260.0°155.1°
C18C19C27H27360.0°35.1°
H18C18C19C200.9°5.8°
H18C18C19C27171.8°174.2°
C19C20C21H201120.0°120.0°
C19C20C21H202120.0°120.0°
C19C20H201H202118.1°120.1°
C19C20C21C2269.1°180.0°
C19C20C21H211170.9°60.0°
C19C20C21H21250.9°60.0°
C20C19C27H2717.2°95.1°
C20C19C27H272112.8°24.9°
C20C19C27H273127.2°144.9°
C27C19C20C2176.0°85.0°
C27C19C20H201164.0°35.0°
C27C19C20H20244.0°155.0°
C19C27H271H272120.0°120.0°
C19C27H271H273120.0°120.0°
C19C27H272H273120.0°120.0°
C21C20H201H202118.2°120.0°
C20C21C22H211120.0°120.0°
C20C21C22H212120.0°119.9°
C20C21H211H212118.3°120.0°
C20C21C22C23141.4°116.5°
C20C21C22H2238.6°63.6°
H201C20C21C2250.9°60.0°
H201C20C21H21169.1°180.0°
H201C20C21H212170.9°60.0°
H202C20C21C22170.9°60.0°
H202C20C21H21150.9°60.0°
H202C20C21H21269.1°179.9°
C22C21H211H212118.3°120.0°
C21C22C23H22180.0°179.9°
C21C22C23C2417.4°5.7°
C21C22C23C25161.0°174.3°
H211C21C22C2321.4°3.6°
H211C21C22H22158.6°176.3°
H212C21C22C2398.6°123.6°
H212C21C22H2281.4°56.3°
C22C23C24C25178.5°180.0°
C22C23C24H241180.0°84.8°
C22C23C24H24260.0°155.2°
C22C23C24H24360.0°35.3°
C22C23C25H251180.0°0.0°
C22C23C25H25260.0°119.9°
C22C23C25H25360.0°120.0°
H22C22C23C24162.6°174.4°
H22C22C23C2519.0°5.6°
C23C24H241H242120.0°119.9°
C23C24H241H243120.0°120.0°
C23C24H242H243120.0°120.0°
C24C23C25H2511.5°180.0°
C24C23C25H252118.6°60.0°
C24C23C25H253121.5°60.0°
C25C23C24H2411.5°95.3°
C25C23C24H242121.5°24.7°
C25C23C24H243118.5°144.7°
C23C25H251H252120.0°120.0°
C23C25H251H253120.0°120.0°
C23C25H252H253120.0°120.0°
H241C24H242H243120.0°120.0°
H251C25H252H253120.0°120.0°
H261C26H262H263120.0°120.1°
H271C27H272H273120.0°120.0°

222624

PDB entries from 2024-07-17

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