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Obsolete: BH1

BH1 was replaced with BPH on
Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1DCGDdoub1.21Å1.22Å
CGDO2Dsing1.34Å1.33Å
CGDCBDsing1.51Å1.50Å
O2DCEDsing1.45Å1.43Å
CEDHED1sing1.09Å1.10Å
CEDHED2sing1.09Å1.10Å
CEDHED3sing1.09Å1.10Å
CBDCHAsing1.51Å1.52Å
CBDCADsing1.52Å1.54Å
CBDHBDsing1.09Å1.10Å
CHAC4Dsing1.43Å1.40Å
CHAC1Adoub1.35Å1.39Å
C4DC3Ddoub1.40Å1.41ÅAromatic
C4DNDsing1.37Å1.35ÅAromatic
C3DCADsing1.41Å1.43Å
C3DC2Dsing1.47Å1.40ÅAromatic
CADOBDdoub1.21Å1.21Å
C2DCMDsing1.51Å1.51Å
C2DC1Ddoub1.36Å1.43ÅAromatic
CMDHMD1sing1.09Å1.10Å
CMDHMD2sing1.09Å1.10Å
CMDHMD3sing1.09Å1.10Å
C1DNDsing1.38Å1.40ÅAromatic
C1DCHDsing1.46Å1.42Å
NDHDsing0.97Å1.00Å
CHDC4Cdoub1.34Å1.38Å
CHDHHDsing1.09Å1.08Å
C4CC3Csing1.52Å1.54Å
C4CNCsing1.38Å1.40Å
C3CCACsing1.53Å1.52Å
C3CC2Csing1.54Å1.56Å
C3CH3Csing1.09Å1.10Å
CACCBCsing1.53Å1.49Å
CACHAC1sing1.09Å1.10Å
CACHAC2sing1.09Å1.10Å
CBCHBC1sing1.09Å1.10Å
CBCHBC2sing1.09Å1.10Å
CBCHBC3sing1.09Å1.10Å
C2CCMCsing1.53Å1.52Å
C2CC1Csing1.52Å1.52Å
C2CH2Csing1.09Å1.10Å
CMCHMC1sing1.09Å1.10Å
CMCHMC2sing1.09Å1.10Å
CMCHMC3sing1.09Å1.10Å
C1CNCsing1.36Å1.34Å
C1CCHCdoub1.34Å1.41Å
NCHCsing0.97Å1.00Å
CHCC4Bsing1.41Å1.40Å
CHCHHCsing1.10Å1.08Å
C4BC3Bdoub1.41Å1.45ÅAromatic
C4BNBsing1.37Å1.38ÅAromatic
C3BCABsing1.41Å1.51Å
C3BC2Bsing1.46Å1.38ÅAromatic
CABCBBsing1.51Å1.47Å
CABOBBdoub1.21Å1.24Å
CBBHBB1sing1.09Å1.10Å
CBBHBB2sing1.09Å1.10Å
CBBHBB3sing1.09Å1.10Å
C2BCMBsing1.51Å1.52Å
C2BC1Bdoub1.37Å1.45ÅAromatic
CMBHMB1sing1.09Å1.10Å
CMBHMB2sing1.09Å1.10Å
CMBHMB3sing1.09Å1.10Å
C1BNBsing1.38Å1.38ÅAromatic
C1BCHBsing1.46Å1.39Å
NBHBsing0.97Å1.00Å
CHBC4Adoub1.33Å1.41Å
CHBHHBsing1.09Å1.08Å
C4AC3Asing1.52Å1.50Å
C4ANAsing1.37Å1.34Å
C3ACMAsing1.53Å1.53Å
C3AC2Asing1.54Å1.53Å
C3AH3Asing1.09Å1.10Å
CMAHMA1sing1.09Å1.10Å
CMAHMA2sing1.09Å1.10Å
CMAHMA3sing1.09Å1.10Å
C2AC1Asing1.50Å1.50Å
C2ACAAsing1.53Å1.55Å
C2AH2Asing1.09Å1.10Å
C1ANAsing1.38Å1.38Å
NAHAsing0.97Å1.00Å
CAACBAsing1.53Å1.53Å
CAAHAA1sing1.09Å1.10Å
CAAHAA2sing1.09Å1.10Å
CBACGAsing1.51Å1.48Å
CBAHBA1sing1.09Å1.10Å
CBAHBA2sing1.09Å1.10Å
CGAO1Adoub1.21Å1.25Å
CGAO2Asing1.34Å1.36Å
O2AC1sing1.45Å1.44Å
C1C2sing1.51Å1.54Å
C1H1C1sing1.09Å1.10Å
C1H1C2sing1.09Å1.10Å
C2C3doub1.31Å1.37Å
C2H2sing1.08Å1.08Å
C3C4sing1.51Å1.53Å
C3C5sing1.51Å1.53Å
C4H4C1sing1.09Å1.10Å
C4H4C2sing1.09Å1.10Å
C4H4C3sing1.09Å1.10Å
C5C6sing1.53Å1.53Å
C5H5C1sing1.09Å1.10Å
C5H5C2sing1.09Å1.10Å
C6C7sing1.53Å1.53Å
C6H6C1sing1.09Å1.10Å
C6H6C2sing1.09Å1.10Å
C7C8sing1.53Å1.54Å
C7H7C1sing1.09Å1.10Å
C7H7C2sing1.09Å1.10Å
C8C9sing1.53Å1.54Å
C8C10sing1.53Å1.53Å
C8H8sing1.09Å1.10Å
C9H9C1sing1.09Å1.10Å
C9H9C2sing1.09Å1.10Å
C9H9C3sing1.09Å1.10Å
C10C11sing1.53Å1.53Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C11C12sing1.53Å1.55Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C12C13sing1.53Å1.55Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C13C14sing1.53Å1.53Å
C13C15sing1.53Å1.55Å
C13H13sing1.09Å1.10Å
C14H141sing1.09Å1.10Å
C14H142sing1.09Å1.10Å
C14H143sing1.09Å1.10Å
C15C16sing1.53Å1.53Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C16C17sing1.53Å1.54Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C17C18sing1.53Å1.55Å
C17H171sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C18C19sing1.53Å1.54Å
C18C20sing1.53Å1.54Å
C18H18sing1.09Å1.10Å
C19H191sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C19H193sing1.09Å1.10Å
C20H201sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C20H203sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1DCGDO2D121.9°120.0°
O1DCGDCBD123.4°120.0°
O2DCGDCBD114.6°120.0°
CGDO2DCED114.9°117.0°
CGDCBDCHA112.9°110.7°
CGDCBDCAD111.8°109.8°
CGDCBDHBD109.4°110.4°
O2DCEDHED1109.5°109.4°
O2DCEDHED2109.5°109.5°
O2DCEDHED3109.4°109.5°
HED1CEDHED2109.5°109.5°
HED1CEDHED3109.5°109.5°
HED2CEDHED3109.5°109.5°
CHACBDCAD104.6°104.9°
CHACBDHBD109.1°110.7°
CBDCHAC4D104.8°106.6°
CBDCHAC1A126.4°130.3°
CADCBDHBD108.8°110.2°
CBDCADC3D108.3°107.1°
CBDCADOBD122.0°126.2°
C4DCHAC1A127.7°123.1°
CHAC4DC3D115.6°110.8°
CHAC4DND137.9°141.2°
CHAC1AC2A128.3°128.6°
CHAC1ANA120.1°122.5°
C3DC4DND106.2°108.1°
C4DC3DCAD106.4°110.5°
C4DC3DC2D110.7°105.8°
C4DNDC1D110.9°110.0°
C4DNDHD124.5°124.3°
CADC3DC2D142.8°143.6°
C3DCADOBD129.6°126.7°
C3DC2DCMD129.5°126.3°
C3DC2DC1D104.3°107.0°
CMDC2DC1D126.1°126.7°
C2DCMDHMD1109.5°109.4°
C2DCMDHMD2109.5°109.5°
C2DCMDHMD3109.5°109.5°
C2DC1DND107.7°108.8°
C2DC1DCHD129.1°126.2°
HMD1CMDHMD2109.5°109.4°
HMD1CMDHMD3109.5°109.5°
HMD2CMDHMD3109.5°109.5°
NDC1DCHD123.1°125.0°
C1DNDHD124.5°125.7°
C1DCHDC4C127.8°122.0°
C1DCHDHHD116.1°119.4°
C4CCHDHHD116.1°118.6°
CHDC4CC3C123.8°123.8°
CHDC4CNC121.1°127.8°
C3CC4CNC114.9°108.4°
C4CC3CCAC101.9°110.4°
C4CC3CC2C98.7°104.5°
C4CC3CH3C115.1°110.4°
C4CNCC1C107.7°113.6°
C4CNCHC126.2°124.1°
CACC3CC2C109.3°110.3°
CACC3CH3C115.3°110.5°
C3CCACCBC118.2°109.5°
C3CCACHAC1107.2°109.5°
C3CCACHAC2107.2°109.5°
C2CC3CH3C114.6°110.5°
C3CC2CCMC124.8°110.4°
C3CC2CC1C105.7°104.4°
C3CC2CH2C103.0°110.3°
CBCCACHAC1107.2°109.5°
CBCCACHAC2107.2°109.5°
CACCBCHBC1109.5°109.5°
CACCBCHBC2109.4°109.5°
CACCBCHBC3109.4°109.4°
HAC1CACHAC2109.5°109.5°
HBC1CBCHBC2109.5°109.5°
HBC1CBCHBC3109.4°109.5°
HBC2CBCHBC3109.5°109.5°
CMCC2CC1C113.9°110.7°
CMCC2CH2C103.4°110.4°
C2CCMCHMC1109.5°109.5°
C2CCMCHMC2109.4°109.5°
C2CCMCHMC3109.5°109.5°
C1CC2CH2C103.4°110.4°
C2CC1CNC113.0°108.6°
C2CC1CCHC122.2°122.8°
HMC1CMCHMC2109.4°109.4°
HMC1CMCHMC3109.4°109.5°
HMC2CMCHMC3109.5°109.5°
NCC1CCHC124.9°128.6°
C1CNCHC126.2°122.2°
C1CCHCC4B130.6°126.8°
C1CCHCHHC114.7°116.1°
C4BCHCHHC114.7°117.1°
CHCC4BC3B128.0°123.5°
CHCC4BNB127.9°129.2°
C3BC4BNB104.0°107.3°
C4BC3BCAB123.2°127.7°
C4BC3BC2B109.7°106.1°
C4BNBC1B113.2°110.8°
C4BNBHB123.4°123.9°
CABC3BC2B127.2°126.2°
C3BCABCBB118.3°120.0°
C3BCABOBB124.4°120.0°
C3BC2BCMB129.7°126.0°
C3BC2BC1B107.5°107.1°
CBBCABOBB117.3°120.0°
CABCBBHBB1109.5°109.4°
CABCBBHBB2109.4°109.5°
CABCBBHBB3109.5°109.5°
HBB1CBBHBB2109.4°109.4°
HBB1CBBHBB3109.5°109.5°
HBB2CBBHBB3109.5°109.5°
CMBC2BC1B122.8°126.9°
C2BCMBHMB1109.5°109.4°
C2BCMBHMB2109.5°109.5°
C2BCMBHMB3109.5°109.5°
C2BC1BNB105.7°108.7°
C2BC1BCHB127.1°123.0°
HMB1CMBHMB2109.5°109.5°
HMB1CMBHMB3109.5°109.4°
HMB2CMBHMB3109.5°109.5°
NBC1BCHB127.2°128.3°
C1BNBHB123.4°125.3°
C1BCHBC4A128.7°125.0°
C1BCHBHHB115.7°117.9°
C4ACHBHHB115.6°117.1°
CHBC4AC3A125.2°124.2°
CHBC4ANA123.4°127.3°
C3AC4ANA111.4°108.5°
C4AC3ACMA107.3°110.8°
C4AC3AC2A104.0°104.2°
C4AC3AH3A114.4°110.3°
C4ANAC1A110.1°113.4°
C4ANAHA125.0°124.0°
CMAC3AC2A102.4°110.6°
CMAC3AH3A113.8°110.5°
C3ACMAHMA1109.5°109.5°
C3ACMAHMA2109.5°109.5°
C3ACMAHMA3109.5°109.5°
C2AC3AH3A113.9°110.2°
C3AC2AC1A102.9°104.6°
C3AC2ACAA105.7°110.1°
C3AC2AH2A114.6°110.0°
HMA1CMAHMA2109.4°109.5°
HMA1CMAHMA3109.5°109.5°
HMA2CMAHMA3109.4°109.4°
C1AC2ACAA102.8°110.9°
C1AC2AH2A115.1°110.7°
C2AC1ANA111.0°108.9°
CAAC2AH2A114.2°110.4°
C2ACAACBA113.9°109.5°
C2ACAAHAA1108.4°109.5°
C2ACAAHAA2108.4°109.4°
C1ANAHA124.9°122.5°
CBACAAHAA1108.4°109.5°
CBACAAHAA2108.4°109.5°
CAACBACGA116.7°109.4°
CAACBAHBA1107.6°109.5°
CAACBAHBA2107.6°109.4°
HAA1CAAHAA2109.5°109.5°
CGACBAHBA1107.6°109.5°
CGACBAHBA2107.6°109.5°
CBACGAO1A128.1°120.1°
CBACGAO2A113.5°120.0°
HBA1CBAHBA2109.5°109.5°
O1ACGAO2A118.4°120.0°
CGAO2AC1116.0°117.0°
O2AC1C2106.0°109.5°
O2AC1H1C1110.3°109.5°
O2AC1H1C2110.3°109.5°
C2C1H1C1110.3°109.5°
C2C1H1C2110.3°109.5°
C1C2C3122.6°120.0°
C1C2H2118.7°120.0°
H1C1C1H1C2109.5°109.4°
C3C2H2118.7°119.9°
C2C3C4125.0°120.0°
C2C3C5121.3°120.0°
C4C3C5113.7°120.0°
C3C4H4C1109.5°109.5°
C3C4H4C2109.5°109.5°
C3C4H4C3109.5°109.4°
C3C5C6111.8°109.4°
C3C5H5C1108.9°109.5°
C3C5H5C2108.9°109.5°
H4C1C4H4C2109.5°109.5°
H4C1C4H4C3109.5°109.4°
H4C2C4H4C3109.4°109.5°
C6C5H5C1108.9°109.5°
C6C5H5C2108.9°109.5°
C5C6C7107.2°109.5°
C5C6H6C1110.0°109.5°
C5C6H6C2110.0°109.5°
H5C1C5H5C2109.5°109.5°
C7C6H6C1110.0°109.5°
C7C6H6C2110.1°109.4°
C6C7C8112.6°109.5°
C6C7H7C1108.7°109.5°
C6C7H7C2108.7°109.4°
H6C1C6H6C2109.5°109.5°
C8C7H7C1108.7°109.5°
C8C7H7C2108.7°109.5°
C7C8C9112.1°109.5°
C7C8C10109.0°109.5°
C7C8H8107.3°109.4°
H7C1C7H7C2109.4°109.5°
C9C8C10113.6°109.5°
C9C8H8107.2°109.4°
C8C9H9C1109.5°109.5°
C8C9H9C2109.5°109.5°
C8C9H9C3109.5°109.4°
C10C8H8107.3°109.5°
C8C10C11110.5°109.5°
C8C10H101109.2°109.5°
C8C10H102109.2°109.5°
H9C1C9H9C2109.5°109.5°
H9C1C9H9C3109.5°109.5°
H9C2C9H9C3109.5°109.4°
C11C10H101109.2°109.4°
C11C10H102109.2°109.5°
C10C11C12111.6°109.5°
C10C11H111108.9°109.5°
C10C11H112108.9°109.5°
H101C10H102109.5°109.5°
C12C11H111108.9°109.4°
C12C11H112108.9°109.5°
C11C12C13113.9°109.4°
C11C12H121108.3°109.4°
C11C12H122108.4°109.5°
H111C11H112109.5°109.5°
C13C12H121108.3°109.5°
C13C12H122108.4°109.5°
C12C13C14111.9°109.5°
C12C13C15112.8°109.4°
C12C13H13105.4°109.5°
H121C12H122109.5°109.5°
C14C13C15114.9°109.4°
C14C13H13105.5°109.5°
C13C14H141109.5°109.5°
C13C14H142109.5°109.5°
C13C14H143109.5°109.4°
C15C13H13105.4°109.5°
C13C15C16114.1°109.5°
C13C15H151108.3°109.5°
C13C15H152108.3°109.5°
H141C14H142109.5°109.5°
H141C14H143109.4°109.4°
H142C14H143109.4°109.4°
C16C15H151108.3°109.5°
C16C15H152108.3°109.5°
C15C16C17112.6°109.5°
C15C16H161108.7°109.5°
C15C16H162108.7°109.5°
H151C15H152109.5°109.4°
C17C16H161108.7°109.5°
C17C16H162108.7°109.5°
C16C17C18116.6°109.5°
C16C17H171107.7°109.5°
C16C17H172107.7°109.5°
H161C16H162109.5°109.4°
C18C17H171107.7°109.5°
C18C17H172107.6°109.5°
C17C18C19115.2°109.5°
C17C18C20112.9°109.5°
C17C18H18106.6°109.5°
H171C17H172109.5°109.4°
C19C18C20108.4°109.5°
C19C18H18106.7°109.5°
C18C19H191109.5°109.5°
C18C19H192109.4°109.4°
C18C19H193109.5°109.5°
C20C18H18106.6°109.5°
C18C20H201109.5°109.5°
C18C20H202109.5°109.4°
C18C20H203109.4°109.5°
H191C19H192109.4°109.5°
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)
O1DCGDO2DCBD176.0°179.8°
O1DCGDO2DCED0.5°0.0°
O1DCGDCBDCHA136.5°0.0°
O1DCGDCBDCAD105.9°115.4°
O1DCGDCBDHBD14.8°122.9°
CGDO2DCEDHED1180.0°60.0°
CGDO2DCEDHED260.0°180.0°
CGDO2DCEDHED360.0°60.0°
O2DCGDCBDCHA39.4°179.7°
O2DCGDCBDCAD78.2°64.4°
O2DCGDCBDHBD161.1°57.3°
CBDCGDO2DCED176.5°179.7°
CGDCBDCHACAD121.8°118.4°
CGDCBDCHAHBD121.9°122.8°
CGDCBDCADHBD121.0°121.8°
CGDCBDCHAC4D119.6°120.0°
CGDCBDCHAC1A49.3°60.9°
CGDCBDCADC3D123.1°118.8°
CGDCBDCADOBD60.6°61.3°
O2DCEDHED1HED2120.0°120.0°
O2DCEDHED1HED3120.0°120.0°
O2DCEDHED2HED3120.0°120.0°
HED1CEDHED2HED3120.0°120.0°
CHACBDCADHBD116.5°119.2°
CBDCHAC4DC1A168.6°179.2°
CBDCHAC4DC3D4.7°2.9°
CBDCHAC4DND177.9°175.2°
CHACBDCADC3D0.6°0.2°
CHACBDCADOBD176.9°179.7°
CBDCHAC1AC2A0.6°6.0°
CBDCHAC1ANA171.4°172.1°
CADCBDCHAC4D2.2°1.6°
CADCBDCHAC1A171.1°179.3°
CBDCADC3DC4D3.2°2.0°
CBDCADC3DOBD175.9°179.8°
CBDCADC3DC2D178.4°177.5°
HBDCBDCHAC4D118.6°117.3°
HBDCBDCHAC1A72.6°61.8°
HBDCBDCADC3D115.9°119.3°
HBDCBDCADOBD60.4°60.5°
CHAC4DC3DND175.3°178.8°
CHAC4DC3DCAD5.2°3.1°
CHAC4DC3DC2D177.9°176.5°
CHAC4DNDC1D175.0°176.6°
CHAC4DNDHD5.0°5.8°
C4DCHAC1AC2A165.7°173.0°
C4DCHAC1ANA5.1°8.9°
C1ACHAC4DC3D173.3°177.9°
C1ACHAC4DND13.4°3.9°
CHAC1ANAC4A172.4°179.6°
CHAC1AC2AC3A167.1°177.1°
CHAC1AC2ANA171.5°178.3°
CHAC1AC2ACAA83.2°58.5°
CHAC1AC2AH2A41.6°64.4°
CHAC1ANAHA7.6°0.7°
C4DC3DCADC2D175.2°179.5°
C4DC3DCADOBD179.2°177.9°
C4DC3DC2DCMD178.0°177.9°
C4DC3DC2DC1D2.8°2.5°
C3DC4DNDC1D1.4°5.2°
C3DC4DNDHD178.6°172.3°
NDC4DC3DCAD179.5°175.6°
NDC4DC3DC2D2.7°4.7°
C4DNDC1DC2D0.4°3.6°
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H151C15C16H16279.4°60.0°
H152C15C16C1777.6°60.0°
H152C15C16H16142.9°60.0°
H152C15C16H162162.0°180.0°
C17C16H161H162118.6°120.0°
C16C17C18H171121.0°120.0°
C16C17C18H172121.0°120.0°
C16C17H171H172116.8°120.0°
C16C17C18C1944.3°175.0°
C16C17C18C20169.5°65.0°
C16C17C18H1873.7°55.0°
H161C16C17C1878.7°60.0°
H161C16C17H171160.2°180.0°
H161C16C17H17242.3°60.1°
H162C16C17C1840.3°60.0°
H162C16C17H17180.7°60.1°
H162C16C17H172161.4°180.0°
C18C17H171H172116.7°120.0°
C17C18C19C20127.5°120.0°
C17C18C19H18118.0°120.0°
C17C18C20H18116.7°120.0°
C17C18C19H191180.0°60.0°
C17C18C19H19260.0°180.0°
C17C18C19H19360.0°60.0°
C17C18C20H201180.0°60.0°
C17C18C20H20260.0°180.0°
C17C18C20H20360.0°60.0°
H171C17C18C19165.4°55.0°
H171C17C18C2069.4°175.0°
H171C17C18H1847.3°65.0°
H172C17C18C1976.7°65.0°
H172C17C18C2048.5°55.0°
H172C17C18H18165.2°175.0°
C19C18C20H18114.5°120.0°
C18C19H191H192120.0°120.0°
C18C19H191H193120.0°120.0°
C18C19H192H193120.0°120.0°
C19C18C20H20151.2°179.9°
C19C18C20H202171.2°60.0°
C19C18C20H20368.8°60.0°
C20C18C19H19152.5°60.0°
C20C18C19H19267.5°60.0°
C20C18C19H193172.5°180.0°
C18C20H201H202120.0°120.0°
C18C20H201H203120.0°120.0°
C18C20H202H203120.0°120.0°
H18C18C19H19162.0°180.0°
H18C18C19H192178.0°60.0°
H18C18C19H19358.0°60.0°
H18C18C20H20163.3°60.0°
H18C18C20H20256.7°60.0°
H18C18C20H203176.7°180.0°
H191C19H192H193120.0°120.0°
H201C20H202H203120.0°120.0°

225946

PDB entries from 2024-10-09

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