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BCB

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
MGNAsing1.91Å2.18Å
MGNBsing1.89Å2.04Å
MGNCsing1.91Å2.08Å
MGNDsing1.89Å2.01Å
CHAC1Asing1.40Å1.40Å
CHAC4Ddoub1.41Å1.37Å
CHACBDsing1.50Å1.54Å
CHBC4Adoub1.38Å1.38Å
CHBC1Bsing1.40Å1.39Å
CHBHHBsing1.08Å1.08Å
CHCC4Bsing1.40Å1.40Å
CHCC1Cdoub1.39Å1.39Å
CHCHHCsing1.08Å1.08Å
CHDC4Csing1.41Å1.40Å
CHDC1Ddoub1.40Å1.40Å
CHDHHDsing1.08Å1.08Å
NAC1Adoub1.34Å1.39Å
NAC4Asing1.34Å1.38Å
C1AC2Asing1.51Å1.51Å
C2AC3Asing1.56Å1.49Å
C2ACAAsing1.53Å1.53Å
C2AH2Asing1.09Å1.10Å
C3AC4Asing1.51Å1.51Å
C3ACMAsing1.53Å1.53Å
C3AH3Asing1.09Å1.10Å
CMAHMA1sing1.09Å1.10Å
CMAHMA2sing1.09Å1.10Å
CMAHMA3sing1.09Å1.10Å
CAACBAsing1.53Å1.51Å
CAAHAA1sing1.09Å1.10Å
CAAHAA2sing1.09Å1.10Å
CBACGAsing1.51Å1.49Å
CBAHBA1sing1.09Å1.10Å
CBAHBA2sing1.09Å1.10Å
CGAO1Adoub1.21Å1.21Å
CGAO2Asing1.34Å1.37Å
O2AC1sing1.45Å1.45Å
NBC1Bsing1.39Å1.38ÅAromatic
NBC4Bsing1.38Å1.38ÅAromatic
C1BC2Bdoub1.38Å1.45ÅAromatic
C2BC3Bsing1.42Å1.36ÅAromatic
C2BCMBsing1.51Å1.53Å
C3BC4Bdoub1.40Å1.46ÅAromatic
C3BCABsing1.46Å1.45Å
CMBHMB1sing1.09Å1.10Å
CMBHMB2sing1.09Å1.10Å
CMBHMB3sing1.09Å1.10Å
CABOBBdoub1.21Å1.23Å
CABCBBsing1.51Å1.51Å
CBBHBB1sing1.09Å1.10Å
CBBHBB2sing1.09Å1.10Å
CBBHBB3sing1.09Å1.10Å
NCC1Csing1.33Å1.38Å
NCC4Cdoub1.35Å1.40Å
C1CC2Csing1.51Å1.51Å
C2CC3Csing1.54Å1.49Å
C2CCMCsing1.53Å1.52Å
C3CC4Csing1.48Å1.41Å
C3CCACdoub1.33Å1.39Å
CMCHMC1sing1.09Å1.10Å
CMCHMC2sing1.09Å1.10Å
CMCHMC3sing1.09Å1.10Å
CACCBCsing1.51Å1.52Å
CACHAC1sing1.08Å1.08Å
CBCHBC1sing1.09Å1.10Å
CBCHBC2sing1.09Å1.10Å
CBCHBC3sing1.09Å1.10Å
NDC1Dsing1.37Å1.37Å
NDC4Dsing1.36Å1.36Å
C1DC2Dsing1.39Å1.45Å
C2DC3Ddoub1.41Å1.36Å
C2DCMDsing1.51Å1.50Å
C3DC4Dsing1.39Å1.42Å
C3DCADsing1.47Å1.44Å
CMDHMD1sing1.09Å1.10Å
CMDHMD2sing1.09Å1.10Å
CMDHMD3sing1.09Å1.10Å
CADOBDdoub1.21Å1.23Å
CADCBDsing1.53Å1.53Å
CBDCGDsing1.51Å1.54Å
CBDHBDsing1.09Å1.10Å
CGDO1Ddoub1.21Å1.25Å
CGDO2Dsing1.34Å1.38Å
O2DCEDsing1.45Å1.36Å
CEDHED1sing1.09Å1.10Å
CEDHED2sing1.09Å1.10Å
CEDHED3sing1.09Å1.10Å
C1C2sing1.51Å1.42Å
C1H11sing1.09Å1.10Å
C1H12sing1.09Å1.10Å
C2C3doub1.31Å1.39Å
C2H2sing1.08Å1.08Å
C3C4sing1.51Å1.54Å
C3C5sing1.51Å1.51Å
C4H41sing1.09Å1.10Å
C4H42sing1.09Å1.10Å
C4H43sing1.09Å1.10Å
C5C6sing1.53Å1.49Å
C5H51sing1.09Å1.10Å
C5H52sing1.09Å1.10Å
C6C7sing1.53Å1.51Å
C6H61sing1.09Å1.10Å
C6H62sing1.09Å1.10Å
C7C8sing1.53Å1.52Å
C7H71sing1.09Å1.10Å
C7H72sing1.09Å1.10Å
C8C9sing1.53Å1.51Å
C8C10sing1.53Å1.51Å
C8H8sing1.09Å1.10Å
C9H91sing1.09Å1.10Å
C9H92sing1.09Å1.10Å
C9H93sing1.09Å1.10Å
C10C11sing1.53Å1.49Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C11C12sing1.53Å1.49Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C12C13sing1.53Å1.52Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C13C14sing1.53Å1.50Å
C13C15sing1.53Å1.52Å
C13H13sing1.09Å1.10Å
C14H141sing1.09Å1.10Å
C14H142sing1.09Å1.10Å
C14H143sing1.09Å1.10Å
C15C16sing1.53Å1.49Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C16C17sing1.53Å1.49Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C17C18sing1.53Å1.52Å
C17H171sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C18C19sing1.53Å1.52Å
C18C20sing1.53Å1.52Å
C18H18sing1.09Å1.10Å
C19H191sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C19H193sing1.09Å1.10Å
C20H201sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C20H203sing1.09Å1.10Å
C2CH2Csing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NAMGNB89.1°100.5°
NAMGNC168.0°131.9°
NAMGND88.2°100.1°
MGNAC1A126.5°123.6°
MGNAC4A123.3°119.1°
NBMGNC91.0°99.1°
NBMGND158.1°132.3°
MGNBC1B126.4°122.7°
MGNBC4B125.1°122.8°
NCMGND87.3°98.2°
MGNCC1C123.6°120.9°
MGNCC4C127.7°120.3°
MGNDC1D129.9°127.0°
MGNDC4D123.2°116.6°
C1ACHAC4D122.8°122.5°
C1ACHACBD130.9°135.6°
CHAC1ANA123.3°124.1°
CHAC1AC2A127.3°128.9°
C4DCHACBD106.0°101.9°
CHAC4DND134.1°132.0°
CHAC4DC3D114.8°118.6°
CHACBDCAD104.0°106.7°
CHACBDCGD106.1°110.0°
CHACBDHBD113.2°110.1°
C4ACHBC1B127.3°130.1°
C4ACHBHHB116.3°115.0°
CHBC4ANA125.7°125.8°
CHBC4AC3A125.5°129.7°
C1BCHBHHB116.3°115.0°
CHBC1BNB126.7°119.7°
CHBC1BC2B124.3°138.3°
C4BCHCC1C126.7°128.9°
C4BCHCHHC116.6°115.5°
CHCC4BNB125.8°120.6°
CHCC4BC3B125.8°138.0°
C1CCHCHHC116.7°115.6°
CHCC1CNC125.7°125.1°
CHCC1CC2C126.6°132.0°
C4CCHDC1D128.1°129.6°
C4CCHDHHD116.0°115.2°
CHDC4CNC122.3°125.9°
CHDC4CC3C125.0°128.6°
C1DCHDHHD115.9°115.2°
CHDC1DND122.5°118.1°
CHDC1DC2D126.3°138.3°
C1ANAC4A110.1°109.9°
NAC1AC2A109.3°106.6°
NAC4AC3A108.8°104.4°
C1AC2AC3A103.8°102.3°
C1AC2ACAA111.1°110.9°
C1AC2AH2A110.5°110.8°
C3AC2ACAA110.2°110.8°
C3AC2AH2A110.8°110.8°
C2AC3AC4A104.1°101.5°
C2AC3ACMA110.2°111.0°
C2AC3AH3A112.0°111.0°
CAAC2AH2A110.3°110.9°
C2ACAACBA112.3°109.5°
C2ACAAHAA1108.7°109.5°
C2ACAAHAA2108.8°109.4°
C4AC3ACMA107.3°111.0°
C4AC3AH3A111.6°111.1°
CMAC3AH3A111.3°110.9°
C3ACMAHMA1109.5°109.5°
C3ACMAHMA2109.5°109.4°
C3ACMAHMA3109.5°109.5°
HMA1CMAHMA2109.4°109.4°
HMA1CMAHMA3109.4°109.5°
HMA2CMAHMA3109.5°109.5°
CBACAAHAA1108.8°109.5°
CBACAAHAA2108.8°109.5°
CAACBACGA113.9°109.5°
CAACBAHBA1108.4°109.5°
CAACBAHBA2108.3°109.5°
HAA1CAAHAA2109.5°109.5°
CGACBAHBA1108.4°109.5°
CGACBAHBA2108.3°109.5°
CBACGAO1A120.7°120.0°
CBACGAO2A119.0°120.0°
HBA1CBAHBA2109.5°109.4°
O1ACGAO2A120.3°120.0°
CGAO2AC1116.6°117.0°
O2AC1C2108.8°109.5°
O2AC1H11109.6°109.4°
O2AC1H12109.6°109.5°
C1BNBC4B107.7°109.1°
NBC1BC2B109.0°101.8°
NBC4BC3B108.4°101.2°
C1BC2BC3B107.4°107.9°
C1BC2BCMB122.4°126.0°
C3BC2BCMB130.2°126.0°
C2BC3BC4B107.2°106.7°
C2BC3BCAB133.9°126.6°
C2BCMBHMB1109.5°109.4°
C2BCMBHMB2109.5°109.5°
C2BCMBHMB3109.5°109.5°
C4BC3BCAB118.9°126.6°
C3BCABOBB123.3°120.0°
C3BCABCBB115.3°120.0°
HMB1CMBHMB2109.5°109.5°
HMB1CMBHMB3109.5°109.5°
HMB2CMBHMB3109.4°109.5°
OBBCABCBB118.3°120.0°
CABCBBHBB1109.5°109.4°
CABCBBHBB2109.5°109.5°
CABCBBHBB3109.5°109.5°
HBB1CBBHBB2109.5°109.4°
HBB1CBBHBB3109.5°109.4°
HBB2CBBHBB3109.5°109.5°
C1CNCC4C108.6°110.8°
NCC1CC2C107.7°102.8°
NCC4CC3C112.5°105.2°
C1CC2CC3C105.1°101.8°
C1CC2CCMC111.1°110.9°
C1CC2CH2C110.5°111.0°
C3CC2CCMC108.9°110.9°
C2CC3CC4C104.7°103.3°
C2CC3CCAC127.5°128.4°
C3CC2CH2C110.8°111.0°
C2CCMCHMC1109.5°109.5°
C2CCMCHMC2109.5°109.5°
C2CCMCHMC3109.5°109.5°
CMCC2CH2C110.3°110.9°
C4CC3CCAC127.2°128.3°
C3CCACCBC123.0°119.9°
C3CCACHAC1118.5°120.0°
HMC1CMCHMC2109.5°109.4°
HMC1CMCHMC3109.4°109.5°
HMC2CMCHMC3109.5°109.5°
CBCCACHAC1118.5°120.0°
CACCBCHBC1109.5°109.4°
CACCBCHBC2109.5°109.5°
CACCBCHBC3109.5°109.5°
HBC1CBCHBC2109.5°109.5°
HBC1CBCHBC3109.5°109.4°
HBC2CBCHBC3109.5°109.5°
C1DNDC4D105.0°107.7°
NDC1DC2D110.5°102.6°
NDC4DC3D111.1°108.2°
C1DC2DC3D105.0°109.5°
C1DC2DCMD126.5°125.2°
C3DC2DCMD128.4°125.3°
C2DC3DC4D107.6°103.6°
C2DC3DCAD145.4°153.2°
C2DCMDHMD1109.5°109.5°
C2DCMDHMD2109.5°109.5°
C2DCMDHMD3109.4°109.5°
C4DC3DCAD106.9°102.9°
C3DCADOBD130.5°126.4°
C3DCADCBD107.6°107.2°
HMD1CMDHMD2109.5°109.5°
HMD1CMDHMD3109.4°109.4°
HMD2CMDHMD3109.5°109.5°
OBDCADCBD120.8°126.4°
CADCBDCGD106.1°110.0°
CADCBDHBD113.4°110.0°
CGDCBDHBD113.2°110.1°
CBDCGDO1D115.1°120.0°
CBDCGDO2D123.6°120.0°
O1DCGDO2D121.2°120.0°
CGDO2DCED119.1°117.0°
O2DCEDHED1109.5°109.5°
O2DCEDHED2109.5°109.5°
O2DCEDHED3109.4°109.5°
HED1CEDHED2109.5°109.5°
HED1CEDHED3109.5°109.4°
HED2CEDHED3109.5°109.5°
C2C1H11109.6°109.5°
C2C1H12109.6°109.5°
C1C2C3123.3°120.0°
C1C2H2118.3°120.0°
H11C1H12109.5°109.4°
C3C2H2118.3°120.0°
C2C3C4126.6°120.0°
C2C3C5123.1°120.0°
C4C3C5110.3°120.0°
C3C4H41109.5°109.5°
C3C4H42109.5°109.5°
C3C4H43109.4°109.5°
C3C5C6109.0°109.5°
C3C5H51109.6°109.5°
C3C5H52109.6°109.5°
H41C4H42109.4°109.5°
H41C4H43109.5°109.5°
H42C4H43109.5°109.5°
C6C5H51109.6°109.5°
C6C5H52109.6°109.5°
C5C6C7110.2°109.5°
C5C6H61109.3°109.5°
C5C6H62109.3°109.4°
H51C5H52109.5°109.5°
C7C6H61109.3°109.5°
C7C6H62109.3°109.4°
C6C7C8112.7°109.4°
C6C7H71108.7°109.5°
C6C7H72108.6°109.4°
H61C6H62109.5°109.5°
C8C7H71108.7°109.5°
C8C7H72108.6°109.5°
C7C8C9110.2°109.4°
C7C8C10108.2°109.4°
C7C8H8109.7°109.5°
H71C7H72109.5°109.5°
C9C8C10109.2°109.5°
C9C8H8109.8°109.5°
C8C9H91109.5°109.5°
C8C9H92109.5°109.5°
C8C9H93109.5°109.5°
C10C8H8109.8°109.5°
C8C10C11112.5°109.4°
C8C10H101108.7°109.5°
C8C10H102108.7°109.4°
H91C9H92109.5°109.4°
H91C9H93109.5°109.4°
H92C9H93109.5°109.5°
C11C10H101108.7°109.5°
C11C10H102108.7°109.5°
C10C11C12108.2°109.5°
C10C11H111109.8°109.5°
C10C11H112109.8°109.4°
H101C10H102109.5°109.5°
C12C11H111109.8°109.5°
C12C11H112109.8°109.5°
C11C12C13114.1°109.5°
C11C12H121108.3°109.5°
C11C12H122108.3°109.5°
H111C11H112109.5°109.4°
C13C12H121108.3°109.5°
C13C12H122108.3°109.4°
C12C13C14109.0°109.5°
C12C13C15100.3°109.5°
C12C13H13113.2°109.5°
H121C12H122109.5°109.4°
C14C13C15106.9°109.5°
C14C13H13113.5°109.5°
C13C14H141109.5°109.5°
C13C14H142109.5°109.5°
C13C14H143109.4°109.4°
C15C13H13113.1°109.4°
C13C15C16113.8°109.5°
C13C15H151108.4°109.5°
C13C15H152108.4°109.5°
H141C14H142109.4°109.5°
H141C14H143109.5°109.5°
H142C14H143109.5°109.4°
C16C15H151108.4°109.4°
C16C15H152108.4°109.4°
C15C16C17109.5°109.5°
C15C16H161109.5°109.4°
C15C16H162109.5°109.4°
H151C15H152109.5°109.5°
C17C16H161109.4°109.5°
C17C16H162109.5°109.5°
C16C17C18112.8°109.5°
C16C17H171108.7°109.5°
C16C17H172108.7°109.5°
H161C16H162109.5°109.5°
C18C17H171108.6°109.4°
C18C17H172108.6°109.4°
C17C18C19110.0°109.4°
C17C18C20109.7°109.5°
C17C18H18108.6°109.4°
H171C17H172109.5°109.5°
C19C18C20111.5°109.5°
C19C18H18108.5°109.5°
C18C19H191109.5°109.5°
C18C19H192109.5°109.4°
C18C19H193109.5°109.5°
C20C18H18108.5°109.5°
C18C20H201109.5°109.5°
C18C20H202109.5°109.5°
C18C20H203109.5°109.5°
H191C19H192109.5°109.4°
H191C19H193109.4°109.5°
H192C19H193109.5°109.5°
H201C20H202109.5°109.5°
H201C20H203109.5°109.5°
H202C20H203109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NAMGNBNC168.0°135.9°
NAMGNBND82.9°114.2°
NAMGNCND68.2°111.6°
MGNAC1ACHA1.5°10.2°
MGNAC4ACHB9.9°14.2°
MGNAC1AC4A176.6°149.4°
MGNAC1AC2A176.5°176.1°
MGNAC4AC3A171.1°167.4°
NAMGNBC1B11.4°6.5°
NAMGNBC4B179.5°144.8°
NAMGNCC1C106.1°107.2°
NAMGNCC4C79.6°106.8°
NAMGNDC1D174.4°138.4°
NAMGNDC4D13.0°5.2°
NBMGNCND158.2°135.4°
MGNBC1BCHB7.1°13.2°
MGNBC4BCHC6.4°16.2°
NBMGNAC1A163.5°140.1°
NBMGNAC4A12.7°6.7°
MGNBC1BC4B169.8°154.7°
MGNBC1BC2B174.0°170.0°
MGNBC4BC3B171.4°168.9°
NBMGNCC1C16.0°5.8°
NBMGNCC4C169.6°140.1°
NBMGNDC1D102.6°107.2°
NBMGNDC4D96.0°109.2°
MGNCC1CCHC14.2°14.4°
MGNCC4CCHD5.6°11.4°
NCMGNAC1A73.3°107.4°
NCMGNAC4A102.9°105.8°
NCMGNBC1B179.4°142.3°
NCMGNBC4B12.5°9.0°
MGNCC1CC4C175.3°148.8°
MGNCC1CC2C164.5°168.7°
MGNCC4CC3C169.9°174.7°
NCMGNDC1D16.7°3.1°
NCMGNDC4D178.1°140.5°
MGNDC4DCHA18.2°9.0°
MGNDC1DCHD16.0°4.8°
NDMGNAC1A5.2°3.3°
NDMGNAC4A171.0°143.5°
NDMGNBC1B94.3°107.8°
NDMGNBC4B97.6°100.9°
NDMGNCC1C174.2°141.2°
NDMGNCC4C11.4°4.8°
MGNDC1DC4D164.0°146.1°
MGNDC1DC2D155.2°175.4°
MGNDC4DC3D159.9°176.1°
C1ACHAC4DCBD174.2°178.4°
CHAC1ANAC2A177.9°173.8°
CHAC1ANAC4A178.1°139.2°
CHAC1AC2AC3A169.9°161.0°
CHAC1AC2ACAA71.6°42.8°
CHAC1AC2AH2A51.1°80.8°
C1ACHAC4DND8.3°2.8°
C1ACHAC4DC3D169.8°168.8°
C1ACHACBDCAD166.1°179.9°
C1ACHACBDCGD54.4°60.6°
C1ACHACBDHBD70.4°60.8°
C4DCHAC1ANA2.7°8.2°
C4DCHAC1AC2A174.9°179.5°
CHAC4DNDC1D176.4°141.2°
CHAC4DNDC3D178.1°167.1°
CHAC4DC3DC2D178.5°158.3°
CHAC4DC3DCAD0.8°17.8°
C4DCHACBDCAD7.5°2.0°
C4DCHACBDCGD119.2°121.3°
C4DCHACBDHBD116.1°117.3°
CBDCHAC1ANA169.9°169.6°
CBDCHAC1AC2A12.5°2.7°
CBDCHAC4DND177.5°178.8°
CBDCHAC4DC3D4.4°12.8°
CHACBDCADC3D8.1°7.8°
CHACBDCADOBD161.6°172.2°
CHACBDCADCGD111.7°119.3°
CHACBDCADHBD123.4°119.3°
CHACBDCGDHBD124.8°121.5°
CHACBDCGDO1D140.6°0.1°
CHACBDCGDO2D42.0°180.0°
C4ACHBC1BHHB180.0°180.0°
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CHBC1BNBC4B176.9°141.5°
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CHCC1CNCC4C170.5°134.4°
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HHCCHCC1CC2C4.4°4.4°
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CHDC4CC3CC2C172.4°160.4°
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CHDC1DNDC2D171.2°170.6°
CHDC1DNDC4D180.0°141.3°
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HHDCHDC1DC2D13.9°15.2°
NAC1AC2AC3A12.2°12.4°
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NAC1AC2AH2A131.1°105.9°
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HBC1CBCHBC2HBC3120.0°120.0°
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H162C16C17H172161.4°180.0°
C18C17H171H172118.5°120.0°
C17C18C19C20121.9°120.0°
C17C18C19H18118.6°119.9°
C17C18C20H18118.4°120.0°
C17C18C19H191180.0°60.1°
C17C18C19H19260.0°180.0°
C17C18C19H19360.0°60.0°
C17C18C20H201180.0°60.0°
C17C18C20H20260.0°180.0°
C17C18C20H20360.0°60.0°
H171C17C18C19174.4°55.0°
H171C17C18C2051.4°65.0°
H171C17C18H1867.0°175.0°
H172C17C18C1955.4°175.0°
H172C17C18C2067.6°55.0°
H172C17C18H18174.0°65.0°
C19C18C20H18119.5°120.0°
C18C19H191H192120.0°119.9°
C18C19H191H193120.0°120.1°
C18C19H192H193120.0°120.0°
C19C18C20H20157.9°180.0°
C19C18C20H202177.9°60.0°
C19C18C20H20362.1°60.0°
C20C18C19H19158.1°59.9°
C20C18C19H19261.9°60.0°
C20C18C19H193178.1°180.0°
C18C20H201H202120.0°120.0°
C18C20H201H203120.0°120.0°
C18C20H202H203120.0°120.0°
H18C18C19H19161.4°180.0°
H18C18C19H192178.6°60.1°
H18C18C19H19358.6°60.0°
H18C18C20H20161.6°60.0°
H18C18C20H20258.5°60.0°
H18C18C20H203178.4°180.0°
H191C19H192H193120.0°120.0°
H201C20H202H203120.0°120.0°

223532

PDB entries from 2024-08-07

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