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18B

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NAC1Asing1.38Å1.34ÅAromatic
NAC4Asing1.37Å1.37ÅAromatic
NBC1Bsing1.39Å1.36Å
NBC4Bsing1.35Å1.35Å
OBC4Bdoub1.22Å1.29Å
NCC1Csing1.34Å1.40Å
NCC4Csing1.39Å1.32Å
OCC1Cdoub1.22Å1.32Å
NDC1Ddoub1.33Å1.38Å
NDC4Dsing1.34Å1.36Å
C1AC2Adoub1.40Å1.47ÅAromatic
C1ACHAsing1.40Å1.46Å
O1ACGAsing1.34Å1.25Å
C1BC2Bsing1.42Å1.45Å
C1BCHBdoub1.38Å1.44Å
C1CC2Csing1.40Å1.39Å
C1DC2Dsing1.42Å1.38Å
C1DCHDsing1.46Å1.46Å
O1DCGDdoub1.21Å1.25Å
C2AC3Asing1.38Å1.45ÅAromatic
C2ACAAsing1.51Å1.50Å
O2ACGAdoub1.21Å1.25Å
C2BC3Bdoub1.36Å1.45Å
C2BCMBsing1.51Å1.49Å
C2CC3Cdoub1.39Å1.46Å
C2CCMCsing1.51Å1.50Å
C2DC3Ddoub1.36Å1.38Å
C2DCMDsing1.51Å1.50Å
O2DCGDsing1.34Å1.26Å
C3AC4Adoub1.39Å1.45ÅAromatic
C3ACMAsing1.51Å1.51Å
C3BC4Bsing1.42Å1.41Å
C3BCABsing1.51Å1.48Å
C3CC4Csing1.47Å1.46Å
C3CCACsing1.47Å1.49Å
C3DC4Dsing1.42Å1.39Å
C3DCADsing1.51Å1.52Å
C4ACHBsing1.41Å1.46Å
C4CCHDdoub1.36Å1.48Å
C4DCHAdoub1.40Å1.48Å
CAACBAsing1.53Å1.53Å
CABCBBsing1.53Å1.51Å
CACCBCdoub1.33Å1.33Å
CADCBDsing1.53Å1.54Å
CBACGAsing1.51Å1.52Å
CBDCGDsing1.51Å1.52Å
NAHNAsing0.97Å1.00Å
NBHNBsing0.97Å1.00Å
NCHNCsing0.97Å1.00Å
O1AHO1Asing0.97Å0.95Å
O2DHO2Dsing0.97Å0.95Å
CAAHAAsing1.09Å1.10Å
CAAHAAAsing1.09Å1.10Å
CABHABsing1.09Å1.10Å
CABHABAsing1.09Å1.10Å
CACHACsing1.08Å1.08Å
CADHADsing1.09Å1.10Å
CADHADAsing1.09Å1.10Å
CBAHBAsing1.09Å1.10Å
CBAHBAAsing1.09Å1.10Å
CBBHBBsing1.09Å1.10Å
CBBHBBAsing1.09Å1.10Å
CBBHBBBsing1.09Å1.10Å
CBCHBCsing1.08Å1.08Å
CBCHBCAsing1.08Å1.08Å
CBDHBDsing1.09Å1.10Å
CBDHBDAsing1.09Å1.10Å
CHAHHAsing1.08Å1.08Å
CHBHHBsing1.08Å1.08Å
CHDHHDsing1.08Å1.08Å
CMAHMAsing1.09Å1.10Å
CMAHMAAsing1.09Å1.10Å
CMAHMABsing1.09Å1.10Å
CMBHMBsing1.09Å1.10Å
CMBHMBAsing1.09Å1.10Å
CMBHMBBsing1.09Å1.10Å
CMCHMCsing1.09Å1.10Å
CMCHMCAsing1.09Å1.10Å
CMCHMCBsing1.09Å1.10Å
CMDHMDsing1.09Å1.10Å
CMDHMDAsing1.09Å1.10Å
CMDHMDBsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1ANAC4A102.1°108.5°
NAC1AC2A115.7°107.9°
NAC1ACHA125.7°126.0°
C1ANAHNA129.0°125.8°
NAC4AC3A115.7°108.3°
NAC4ACHB122.5°125.9°
C4ANAHNA129.0°125.8°
C1BNBC4B103.0°108.4°
NBC1BC2B113.6°107.6°
NBC1BCHB126.1°126.2°
C1BNBHNB128.5°125.8°
NBC4BOB122.2°125.7°
NBC4BC3B116.2°108.6°
C4BNBHNB128.4°125.8°
OBC4BC3B121.6°125.6°
C1CNCC4C103.3°109.2°
NCC1COC119.2°124.9°
NCC1CC2C116.8°110.1°
C1CNCHNC128.4°125.4°
NCC4CC3C112.7°106.7°
NCC4CCHD124.4°126.7°
C4CNCHNC128.3°125.4°
OCC1CC2C124.0°125.0°
C1DNDC4D102.0°109.5°
NDC1DC2D112.9°108.5°
NDC1DCHD116.9°125.7°
NDC4DC3D113.0°108.2°
NDC4DCHA124.9°125.9°
C2AC1ACHA118.6°126.1°
C1AC2AC3A103.0°107.6°
C1AC2ACAA129.6°126.2°
C1ACHAC4D136.1°120.0°
C1ACHAHHA112.0°120.0°
O1ACGAO2A121.3°120.0°
O1ACGACBA120.6°120.0°
CGAO1AHO1A109.5°117.0°
C2BC1BCHB120.3°126.3°
C1BC2BC3B103.5°107.5°
C1BC2BCMB127.3°126.3°
C1BCHBC4A127.2°120.0°
C1BCHBHHB116.4°120.0°
C1CC2CC3C101.3°108.1°
C1CC2CCMC130.9°126.0°
C2DC1DCHD128.4°125.7°
C1DC2DC3D105.8°106.9°
C1DC2DCMD128.4°126.5°
C1DCHDC4C133.3°120.0°
C1DCHDHHD113.4°120.0°
O1DCGDO2D124.4°120.0°
O1DCGDCBD117.3°120.0°
C3AC2ACAA127.3°126.2°
C2AC3AC4A103.0°107.8°
C2AC3ACMA127.5°126.1°
C2ACAACBA108.6°109.4°
C2ACAAHAA109.7°109.4°
C2ACAAHAAA109.8°109.4°
O2ACGACBA118.0°120.0°
C3BC2BCMB129.2°126.2°
C2BC3BC4B103.6°107.9°
C2BC3BCAB126.1°126.0°
C2BCMBHMB109.5°109.4°
C2BCMBHMBA109.5°109.4°
C2BCMBHMBB109.4°109.5°
C3CC2CCMC127.7°126.0°
C2CC3CC4C105.9°106.0°
C2CC3CCAC133.5°127.0°
C2CCMCHMC109.5°109.5°
C2CCMCHMCA109.4°109.5°
C2CCMCHMCB109.5°109.5°
C3DC2DCMD125.6°126.6°
C2DC3DC4D105.6°106.8°
C2DC3DCAD128.5°126.6°
C2DCMDHMD109.5°109.5°
C2DCMDHMDA109.5°109.5°
C2DCMDHMDB109.5°109.4°
O2DCGDCBD118.2°120.0°
CGDO2DHO2D109.5°117.0°
C4AC3ACMA129.1°126.1°
C3AC4ACHB120.5°125.8°
C3ACMAHMA109.5°109.5°
C3ACMAHMAA109.5°109.5°
C3ACMAHMAB109.4°109.4°
C4BC3BCAB130.3°126.0°
C3BCABCBB98.4°109.4°
C3BCABHAB113.3°109.5°
C3BCABHABA113.3°109.5°
C4CC3CCAC120.3°127.0°
C3CC4CCHD122.9°126.6°
C3CCACCBC122.4°120.0°
C3CCACHAC118.8°120.0°
C4DC3DCAD125.7°126.6°
C3DC4DCHA122.1°125.8°
C3DCADCBD106.6°109.5°
C3DCADHAD110.4°109.5°
C3DCADHADA110.4°109.4°
C4ACHBHHB116.4°120.0°
C4CCHDHHD113.3°120.0°
C4DCHAHHA111.9°120.0°
CAACBACGA113.4°109.4°
CBACAAHAA109.8°109.5°
CBACAAHAAA109.8°109.5°
CAACBAHBA108.2°109.5°
CAACBAHBAA108.2°109.5°
CBBCABHAB113.4°109.5°
CBBCABHABA113.4°109.5°
CABCBBHBB109.5°109.4°
CABCBBHBBA109.5°109.5°
CABCBBHBBB109.4°109.5°
CBCCACHAC118.8°120.0°
CACCBCHBC120.0°120.0°
CACCBCHBCA120.0°120.0°
CADCBDCGD114.1°109.5°
CBDCADHAD110.5°109.5°
CBDCADHADA110.4°109.5°
CADCBDHBD108.0°109.5°
CADCBDHBDA108.0°109.5°
CGACBAHBA108.1°109.5°
CGACBAHBAA108.2°109.4°
CGDCBDHBD108.0°109.4°
CGDCBDHBDA108.0°109.5°
HAACAAHAAA109.2°109.5°
HABCABHABA105.3°109.5°
HADCADHADA108.5°109.5°
HBACBAHBAA110.7°109.5°
HBBCBBHBBA109.4°109.5°
HBBCBBHBBB109.5°109.5°
HBBACBBHBBB109.5°109.5°
HBCCBCHBCA120.0°120.0°
HBDCBDHBDA110.9°109.5°
HMACMAHMAA109.5°109.5°
HMACMAHMAB109.5°109.5°
HMAACMAHMAB109.5°109.4°
HMBCMBHMBA109.5°109.5°
HMBCMBHMBB109.5°109.5°
HMBACMBHMBB109.5°109.5°
HMCCMCHMCA109.4°109.4°
HMCCMCHMCB109.5°109.4°
HMCACMCHMCB109.5°109.5°
HMDCMDHMDA109.5°109.5°
HMDCMDHMDB109.4°109.5°
HMDACMDHMDB109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1ANAC4AHNA180.0°179.6°
NAC1AC2ACHA177.1°179.9°
NAC1AC2AC3A4.0°0.0°
NAC1AC2ACAA178.8°180.0°
C1ANAC4AC3A5.1°0.0°
C1ANAC4ACHB172.3°180.0°
NAC1ACHAC4D4.1°16.4°
NAC1ACHAHHA175.9°163.8°
C4ANAC1AC2A0.5°0.0°
C4ANAC1ACHA176.4°180.0°
NAC4ACHBC1B24.9°17.2°
NAC4AC3AC2A7.6°0.0°
NAC4AC3ACHB167.4°180.0°
NAC4AC3ACMA178.9°180.0°
NAC4ACHBHHB155.1°162.8°
C1BNBC4BHNB180.0°179.6°
C1BNBC4BOB179.4°179.9°
NBC1BC2BCHB179.4°180.0°
NBC1BC2BC3B1.4°0.0°
NBC1BC2BCMB179.5°180.0°
C1BNBC4BC3B1.4°0.0°
NBC1BCHBC4A2.7°7.3°
NBC1BCHBHHB177.3°172.7°
NBC4BOBC3B179.1°179.8°
C4BNBC1BC2B1.7°0.1°
C4BNBC1BCHB178.9°180.0°
NBC4BC3BC2B0.6°0.0°
NBC4BC3BCAB179.1°180.0°
OBC4BC3BC2B179.8°179.9°
OBC4BC3BCAB1.7°0.1°
OBC4BNBHNB0.6°0.5°
C1CNCC4CHNC180.0°179.8°
NCC1COCC2C178.8°180.0°
NCC1CC2CC3C1.5°0.0°
NCC1CC2CCMC178.7°180.0°
C1CNCC4CC3C0.0°0.0°
C1CNCC4CCHD178.0°180.0°
C4CNCC1COC177.9°180.0°
C4CNCC1CC2C1.0°0.0°
NCC4CCHDC1D3.3°6.2°
NCC4CC3CC2C0.9°0.0°
NCC4CC3CCHD178.1°180.0°
NCC4CC3CCAC176.0°180.0°
NCC4CCHDHHD176.7°173.8°
OCC1CC2CC3C177.3°180.0°
OCC1CC2CCMC0.1°0.0°
OCC1CNCHNC2.2°0.2°
NDC1DC2DCHD164.0°180.0°
NDC1DC2DC3D8.1°0.0°
NDC1DC2DCMD177.0°180.0°
C1DNDC4DC3D5.3°0.0°
NDC1DCHDC4C30.0°6.0°
C1DNDC4DCHA176.2°180.0°
NDC1DCHDHHD150.0°174.0°
NDC4DCHAC1A21.2°6.5°
C4DNDC1DC2D8.2°0.0°
C4DNDC1DCHD174.1°180.0°
NDC4DC3DC2D0.8°0.0°
NDC4DC3DCHA178.5°179.9°
NDC4DC3DCAD177.2°180.0°
NDC4DCHAHHA158.8°173.3°
C1AC2AC3ACAA177.3°180.0°
C1AC2AC3AC4A6.2°0.0°
C1AC2AC3ACMA179.9°180.0°
C2AC1ACHAC4D179.2°163.7°
C1AC2ACAACBA87.3°90.0°
C2AC1ANAHNA179.5°179.7°
C1AC2ACAAHAA152.7°150.0°
C1AC2ACAAHAAA32.7°30.0°
C2AC1ACHAHHA0.8°16.1°
CHAC1AC2AC3A178.9°179.9°
CHAC1AC2ACAA1.8°0.0°
C1ACHAC4DC3D160.5°173.4°
C1ACHAC4DHHA180.0°179.9°
CHAC1ANAHNA3.6°0.4°
O1ACGAO2ACBA177.4°180.0°
O1ACGACBACAA12.3°180.0°
O1ACGACBAHBA107.8°60.0°
O1ACGACBAHBAA132.3°60.0°
C1BC2BC3BCMB179.1°180.0°
C1BC2BC3BC4B0.5°0.0°
C1BC2BC3BCAB178.1°180.0°
C2BC1BCHBC4A177.9°172.7°
C2BC1BNBHNB178.3°179.7°
C2BC1BCHBHHB2.1°7.3°
C1BC2BCMBHMB180.0°0.0°
C1BC2BCMBHMBA60.0°120.0°
C1BC2BCMBHMBB60.0°120.0°
CHBC1BC2BC3B179.2°180.0°
CHBC1BC2BCMB0.0°0.0°
C1BCHBC4AC3A168.6°162.8°
C1BCHBC4AHHB180.0°180.0°
CHBC1BNBHNB1.1°0.3°
C1CC2CC3CCMC177.3°180.0°
C1CC2CC3CC4C1.4°0.0°
C1CC2CC3CCAC175.5°180.0°
C2CC1CNCHNC179.0°179.8°
C1CC2CCMCHMC180.0°5.2°
C1CC2CCMCHMCA60.0°114.8°
C1CC2CCMCHMCB60.0°125.1°
C1DC2DC3DCMD175.1°179.9°
C1DC2DC3DC4D4.2°0.0°
C1DC2DC3DCAD172.1°180.0°
C2DC1DCHDC4C166.6°174.1°
C2DC1DCHDHHD13.5°5.9°
C1DC2DCMDHMD180.0°0.0°
C1DC2DCMDHMDA60.0°120.0°
C1DC2DCMDHMDB60.0°120.0°
CHDC1DC2DC3D172.0°180.0°
CHDC1DC2DCMD13.0°0.1°
C1DCHDC4CC3C174.5°173.8°
C1DCHDC4CHHD180.0°180.0°
O1DCGDO2DCBD179.7°179.9°
O1DCGDCBDCAD11.6°0.1°
O1DCGDO2DHO2D0.0°0.0°
O1DCGDCBDHBD108.4°120.0°
O1DCGDCBDHBDA131.6°119.9°
C2AC3AC4ACMA173.5°180.0°
C2AC3AC4ACHB175.0°180.0°
C3AC2ACAACBA96.1°90.0°
C3AC2ACAAHAA23.9°30.0°
C3AC2ACAAHAAA143.9°150.0°
C2AC3ACMAHMA86.1°89.9°
C2AC3ACMAHMAA153.9°150.0°
C2AC3ACMAHMAB33.9°30.1°
CAAC2AC3AC4A176.5°180.0°
CAAC2AC3ACMA2.8°0.0°
C2ACAACBAHAA120.0°120.0°
C2ACAACBAHAAA120.0°119.9°
C2ACAACBACGA162.7°180.0°
C2ACAAHAAHAAA120.4°119.9°
C2ACAACBAHBA42.7°60.0°
C2ACAACBAHBAA77.3°60.0°
O2ACGACBACAA165.2°0.0°
O2ACGAO1AHO1A0.0°0.0°
O2ACGACBAHBA74.8°120.0°
O2ACGACBAHBAA45.2°120.0°
C2BC3BC4BCAB178.5°180.0°
C2BC3BCABCBB95.8°90.4°
C2BC3BCABHAB144.2°149.5°
C2BC3BCABHABA24.2°29.5°
C3BC2BCMBHMB1.1°180.0°
C3BC2BCMBHMBA118.9°60.0°
C3BC2BCMBHMBB121.1°60.0°
CMBC2BC3BC4B179.6°180.0°
CMBC2BC3BCAB1.0°0.0°
C2BCMBHMBHMBA120.0°120.0°
C2BCMBHMBHMBB120.0°120.0°
C2BCMBHMBAHMBB120.0°120.0°
C2CC3CC4CCAC175.1°180.0°
C2CC3CC4CCHD177.2°180.0°
C2CC3CCACCBC13.5°55.2°
C2CC3CCACHAC166.5°124.9°
C3CC2CCMCHMC3.5°174.8°
C3CC2CCMCHMCA116.5°65.2°
C3CC2CCMCHMCB123.5°54.9°
CMCC2CC3CC4C178.7°180.0°
CMCC2CC3CCAC7.2°0.0°
C2CCMCHMCHMCA120.0°120.0°
C2CCMCHMCHMCB120.0°120.0°
C2CCMCHMCAHMCB120.0°120.0°
C2DC3DC4DCAD176.5°180.0°
C2DC3DC4DCHA179.2°179.9°
C2DC3DCADCBD92.4°95.0°
C2DC3DCADHAD27.6°145.0°
C2DC3DCADHADA147.6°25.0°
C3DC2DCMDHMD6.0°180.0°
C3DC2DCMDHMDA114.0°59.9°
C3DC2DCMDHMDB126.0°60.1°
CMDC2DC3DC4D179.4°180.0°
CMDC2DC3DCAD3.0°0.1°
C2DCMDHMDHMDA120.0°120.0°
C2DCMDHMDHMDB120.0°119.9°
C2DCMDHMDAHMDB120.0°119.9°
O2DCGDCBDCAD168.1°180.0°
O2DCGDCBDHBD71.9°60.0°
O2DCGDCBDHBDA48.1°60.0°
C3AC4ANAHNA174.9°179.7°
C3AC4ACHBHHB11.4°17.2°
C4AC3ACMAHMA85.9°90.1°
C4AC3ACMAHMAA34.1°30.0°
C4AC3ACMAHMAB154.1°150.0°
CMAC3AC4ACHB11.5°0.0°
C3ACMAHMAHMAA120.0°120.1°
C3ACMAHMAHMAB120.0°120.0°
C3ACMAHMAAHMAB120.0°119.9°
C4BC3BCABCBB86.0°89.6°
C3BC4BNBHNB178.6°179.7°
C4BC3BCABHAB34.0°30.4°
C4BC3BCABHABA154.0°150.5°
C3BCABCBBHAB120.0°120.0°
C3BCABCBBHABA120.0°120.0°
C3BCABHABHABA124.4°120.0°
C3BCABCBBHBB180.0°180.0°
C3BCABCBBHBBA60.0°60.0°
C3BCABCBBHBBB60.0°60.0°
C4CC3CCACCBC160.0°124.8°
C3CC4CNCHNC180.0°179.8°
C4CC3CCACHAC20.0°55.2°
C3CC4CCHDHHD5.5°6.2°
CACC3CC4CCHD2.1°0.0°
C3CCACCBCHAC180.0°179.9°
C3CCACCBCHBC180.0°174.8°
C3CCACCBCHBCA0.0°5.2°
C4DC3DCADCBD83.2°85.0°
C4DC3DCADHAD156.8°35.0°
C4DC3DCADHADA36.8°155.0°
C3DC4DCHAHHA19.5°6.8°
CADC3DC4DCHA4.3°0.0°
C3DCADCBDHAD120.0°120.0°
C3DCADCBDHADA120.0°120.0°
C3DCADCBDCGD174.7°180.0°
C3DCADHADHADA121.2°119.9°
C3DCADCBDHBD54.8°60.0°
C3DCADCBDHBDA65.2°60.0°
CHBC4ANAHNA7.7°0.3°
CHDC4CNCHNC1.9°0.2°
CAACBACGAHBA120.0°120.0°
CAACBACGAHBAA120.0°120.0°
CBACAAHAAHAAA120.4°120.1°
CAACBAHBAHBAA118.4°120.1°
CBBCABHABHABA124.5°120.0°
CABCBBHBBHBBA120.0°120.0°
CABCBBHBBHBBB120.0°120.0°
CABCBBHBBAHBBB120.0°120.0°
CACCBCHBCHBCA180.0°180.0°
CADCBDCGDHBD120.0°120.0°
CADCBDCGDHBDA120.0°120.0°
CBDCADHADHADA121.2°120.1°
CADCBDHBDHBDA118.1°120.0°
CBACGAO1AHO1A177.3°180.0°
CGACBACAAHAA77.3°60.0°
CGACBACAAHAAA42.7°60.1°
CGACBAHBAHBAA118.4°120.0°
CBDCGDO2DHO2D179.7°179.9°
CGDCBDCADHAD65.3°60.0°
CGDCBDCADHADA54.8°60.0°
CGDCBDHBDHBDA118.1°120.0°
HAACAACBAHBA162.7°180.0°
HAACAACBAHBAA42.7°60.0°
HAAACAACBAHBA77.3°59.9°
HAAACAACBAHBAA162.7°180.0°
HABCABCBBHBB60.0°60.0°
HABCABCBBHBBA180.0°180.0°
HABCABCBBHBBB60.0°60.0°
HABACABCBBHBB60.0°60.0°
HABACABCBBHBBA60.0°60.0°
HABACABCBBHBBB180.0°180.0°
HACCACCBCHBC0.0°5.3°
HACCACCBCHBCA180.0°174.7°
HADCADCBDHBD174.7°180.0°
HADCADCBDHBDA54.7°60.0°
HADACADCBDHBD65.2°59.9°
HADACADCBDHBDA174.8°180.0°
HBBCBBHBBAHBBB120.0°120.0°
HMACMAHMAAHMAB120.0°120.0°
HMBCMBHMBAHMBB120.0°120.1°
HMCCMCHMCAHMCB120.0°119.9°
HMDCMDHMDAHMDB120.0°120.0°

223532

PDB entries from 2024-08-07

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