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DE9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O2DCGDdoub1.21Å1.27Å
CGDO1Dsing1.34Å1.25Å
CGDCBDsing1.51Å1.48Å
O1ACGAdoub1.21Å1.26Å
CBDCADsing1.53Å1.49Å
O2ACGAsing1.34Å1.26Å
CGACBAsing1.51Å1.49Å
CMDC2Dsing1.51Å1.50Å
CADC3Dsing1.51Å1.49Å
CBACAAsing1.53Å1.49Å
C2DC3Dsing1.36Å1.38ÅAromatic
C2DC1Ddoub1.41Å1.40ÅAromatic
C3DC4Ddoub1.41Å1.39ÅAromatic
C1DCHDsing1.39Å1.48ÅAromatic
C1DNDsing1.38Å1.34ÅAromatic
C4DCHAsing1.39Å1.49ÅAromatic
C4DNDsing1.38Å1.35ÅAromatic
CHDC4Cdoub1.40Å1.48ÅAromatic
C3CC4Csing1.47Å1.38ÅAromatic
C3CC2Cdoub1.35Å1.39ÅAromatic
CHAC1Adoub1.40Å1.49ÅAromatic
CAAC2Asing1.51Å1.49Å
C4CNCsing1.33Å1.35ÅAromatic
CMCC2Csing1.51Å1.49Å
C2CC1Csing1.47Å1.38ÅAromatic
C1AC2Asing1.47Å1.39ÅAromatic
C1ANAsing1.34Å1.35ÅAromatic
C2AC3Adoub1.35Å1.39ÅAromatic
NCC1Cdoub1.34Å1.34ÅAromatic
C1CCHCsing1.40Å1.48ÅAromatic
NAC4Adoub1.33Å1.35ÅAromatic
C3ACMAsing1.51Å1.50Å
C3AC4Asing1.47Å1.38ÅAromatic
C4ACHBsing1.40Å1.49ÅAromatic
CHCC4Bdoub1.39Å1.48ÅAromatic
NBC4Bsing1.38Å1.34ÅAromatic
NBC1Bsing1.38Å1.34ÅAromatic
C4BC3Bsing1.41Å1.39ÅAromatic
CHBC1Bdoub1.39Å1.48ÅAromatic
C1BC2Bsing1.41Å1.39ÅAromatic
C3BC2Bdoub1.36Å1.39ÅAromatic
C2BCMBsing1.51Å1.49Å
CHAH1sing1.09Å1.08Å
CHBH2sing1.09Å1.08Å
CHCH3sing1.09Å1.08Å
CHDH4sing1.09Å1.08Å
CMAH5sing1.09Å1.10Å
CMAH6sing1.09Å1.10Å
CMAH7sing1.09Å1.10Å
CAAH8sing1.09Å1.10Å
CAAH9sing1.09Å1.10Å
CBAH10sing1.09Å1.10Å
CBAH11sing1.09Å1.10Å
O2AH12sing0.97Å0.95Å
NBH13sing0.97Å1.00Å
C3BH14sing1.08Å1.08Å
CMBH15sing1.09Å1.10Å
CMBH16sing1.09Å1.10Å
CMBH17sing1.09Å1.10Å
C3CH18sing1.08Å1.08Å
CMCH19sing1.09Å1.10Å
CMCH20sing1.09Å1.10Å
CMCH21sing1.09Å1.10Å
NDH22sing0.97Å1.00Å
CMDH23sing1.09Å1.10Å
CMDH24sing1.09Å1.10Å
CMDH25sing1.09Å1.10Å
CADH26sing1.09Å1.10Å
CADH27sing1.09Å1.10Å
CBDH28sing1.09Å1.10Å
CBDH29sing1.09Å1.10Å
O1DH30sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2DCGDO1D120.5°120.0°
O2DCGDCBD120.2°120.0°
O1DCGDCBD119.3°120.0°
CGDO1DH30109.5°117.0°
CGDCBDCAD119.5°109.4°
CGDCBDH28106.9°109.4°
CGDCBDH29106.9°109.5°
O1ACGAO2A120.8°120.0°
O1ACGACBA120.2°120.1°
CBDCADC3D110.8°109.4°
CBDCADH26109.1°109.5°
CBDCADH27109.2°109.5°
CADCBDH28106.9°109.5°
CADCBDH29106.9°109.5°
O2ACGACBA118.9°120.0°
CGAO2AH12109.5°117.1°
CGACBACAA113.8°109.5°
CGACBAH10108.4°109.5°
CGACBAH11108.4°109.5°
CMDC2DC3D125.7°126.0°
CMDC2DC1D128.6°126.0°
C2DCMDH23109.5°109.5°
C2DCMDH24109.5°109.5°
C2DCMDH25109.5°109.5°
CADC3DC2D125.9°126.0°
CADC3DC4D126.2°126.0°
C3DCADH26109.1°109.5°
C3DCADH27109.1°109.5°
CBACAAC2A117.0°109.5°
CBACAAH8107.6°109.5°
CBACAAH9107.5°109.4°
CAACBAH10108.4°109.5°
CAACBAH11108.4°109.4°
C3DC2DC1D105.7°108.1°
C2DC3DC4D107.8°108.0°
C2DC1DCHD121.8°124.4°
C2DC1DND109.5°107.8°
C3DC4DCHA121.3°124.2°
C3DC4DND108.5°107.9°
CHDC1DND128.7°127.8°
C1DCHDC4C118.4°122.7°
C1DCHDH4120.8°118.6°
C1DNDC4D108.5°108.1°
C1DNDH22125.8°125.9°
CHAC4DND130.2°127.9°
C4DCHAC1A119.1°122.7°
C4DCHAH1120.5°118.5°
C4DNDH22125.7°126.0°
CHDC4CC3C121.5°124.2°
CHDC4CNC130.0°127.5°
C4CCHDH4120.8°118.7°
C4CC3CC2C106.7°106.5°
C3CC4CNC108.6°108.4°
C4CC3CH18126.6°126.8°
C3CC2CCMC126.5°126.8°
C3CC2CC1C106.7°106.5°
C2CC3CH18126.6°126.7°
CHAC1AC2A122.2°124.2°
CHAC1ANA129.2°127.5°
C1ACHAH1120.4°118.8°
CAAC2AC1A128.9°126.7°
CAAC2AC3A124.6°126.7°
C2ACAAH8107.6°109.5°
C2ACAAH9107.6°109.5°
C4CNCC1C108.9°110.1°
CMCC2CC1C126.8°126.7°
C2CCMCH19109.5°109.4°
C2CCMCH20109.4°109.5°
C2CCMCH21109.5°109.5°
C2CC1CNC109.1°108.3°
C2CC1CCHC121.9°124.2°
C2AC1ANA108.6°108.3°
C1AC2AC3A106.5°106.6°
C1ANAC4A109.1°110.1°
C2AC3ACMA127.3°126.8°
C2AC3AC4A107.1°106.5°
NCC1CCHC129.0°127.6°
C1CCHCC4B118.9°122.7°
C1CCHCH3120.5°118.6°
NAC4AC3A108.7°108.4°
NAC4ACHB130.6°127.4°
CMAC3AC4A125.6°126.7°
C3ACMAH5109.5°109.5°
C3ACMAH6109.5°109.5°
C3ACMAH7109.5°109.5°
C3AC4ACHB120.7°124.1°
C4ACHBC1B118.6°122.7°
C4ACHBH2120.7°118.5°
CHCC4BNB130.1°127.7°
CHCC4BC3B120.7°124.5°
C4BCHCH3120.5°118.7°
C4BNBC1B108.2°108.1°
NBC4BC3B109.2°107.8°
C4BNBH13125.9°125.8°
NBC1BCHB128.5°127.9°
NBC1BC2B109.8°107.8°
C1BNBH13125.9°126.0°
C4BC3BC2B106.8°107.9°
C4BC3BH14126.6°126.0°
CHBC1BC2B121.7°124.3°
C1BCHBH2120.7°118.8°
C1BC2BC3B106.1°108.1°
C1BC2BCMB127.4°126.0°
C3BC2BCMB126.5°125.9°
C2BC3BH14126.6°126.0°
C2BCMBH15109.5°109.5°
C2BCMBH16109.5°109.5°
C2BCMBH17109.4°109.4°
H5CMAH6109.5°109.4°
H5CMAH7109.5°109.5°
H6CMAH7109.4°109.5°
H8CAAH9109.5°109.5°
H10CBAH11109.4°109.5°
H15CMBH16109.5°109.5°
H15CMBH17109.4°109.5°
H16CMBH17109.5°109.5°
H19CMCH20109.5°109.5°
H19CMCH21109.5°109.4°
H20CMCH21109.5°109.5°
H23CMDH24109.4°109.4°
H23CMDH25109.5°109.5°
H24CMDH25109.5°109.5°
H26CADH27109.5°109.5°
H28CBDH29109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2DCGDO1DCBD179.6°179.9°
O2DCGDCBDCAD175.3°0.1°
O2DCGDCBDH2863.3°119.9°
O2DCGDCBDH2953.9°120.1°
O2DCGDO1DH300.0°0.1°
O1DCGDCBDCAD5.0°180.0°
O1DCGDCBDH28116.4°60.0°
O1DCGDCBDH29126.4°60.0°
CGDCBDCADH28121.4°119.9°
CGDCBDCADH29121.4°120.0°
CGDCBDCADC3D160.1°180.0°
CGDCBDCADH2679.7°60.0°
CGDCBDCADH2739.9°60.0°
CGDCBDH28H29115.5°120.0°
CBDCGDO1DH30179.6°180.0°
O1ACGAO2ACBA179.7°180.0°
O1ACGACBACAA121.8°0.0°
O1ACGACBAH101.2°120.0°
O1ACGACBAH11117.5°120.0°
O1ACGAO2AH120.0°0.0°
CBDCADC3DH26120.2°120.0°
CBDCADC3DH27120.2°120.0°
CBDCADC3DC2D98.5°90.0°
CBDCADC3DC4D78.8°90.0°
CBDCADH26H27119.4°120.0°
CADCBDH28H29115.5°120.1°
O2ACGACBACAA57.8°179.9°
O2ACGACBAH10178.5°60.0°
O2ACGACBAH1162.8°60.0°
CGACBACAAH10120.7°120.0°
CGACBACAAH11120.7°120.0°
CGACBACAAC2A69.5°180.0°
CGACBACAAH8169.4°60.0°
CGACBACAAH951.6°60.0°
CGACBAH10H11118.0°120.0°
CBACGAO2AH12179.7°180.0°
CMDC2DC3DCAD1.6°0.3°
CMDC2DC3DC1D179.5°180.0°
CMDC2DC3DC4D179.4°179.7°
CMDC2DC1DCHD1.2°1.8°
CMDC2DC1DND179.8°177.9°
C2DCMDH23H24120.0°120.0°
C2DCMDH23H25120.0°120.0°
C2DCMDH24H25120.0°120.0°
CADC3DC2DC4D177.7°180.0°
CADC3DC2DC1D177.9°179.6°
CADC3DC4DCHA2.0°2.4°
CADC3DC4DND178.3°178.4°
C3DCADH26H27119.4°120.0°
C3DCADCBDH2838.7°60.1°
C3DCADCBDH2978.5°60.0°
CBACAAC2AH8121.1°120.0°
CBACAAC2AH9121.1°119.9°
CBACAAC2AC1A94.6°85.0°
CBACAAC2AC3A84.9°95.0°
CBACAAH8H9116.5°120.0°
CAACBAH10H11118.0°120.0°
C3DC2DC1DCHD179.3°178.1°
C3DC2DC1DND0.3°2.2°
C2DC3DC4DCHA179.7°177.6°
C2DC3DC4DND0.6°1.6°
C3DC2DCMDH2389.7°90.0°
C3DC2DCMDH24150.3°150.0°
C3DC2DCMDH2530.3°30.0°
C2DC3DCADH26141.3°150.0°
C2DC3DCADH2721.7°30.0°
C1DC2DC3DC4D0.2°0.3°
C2DC1DCHDND178.7°179.6°
C2DC1DNDC4D0.6°3.2°
C2DC1DCHDC4C172.0°178.1°
C2DC1DCHDH48.0°3.0°
C2DC1DNDH22179.3°176.7°
C1DC2DCMDH2389.7°89.9°
C1DC2DCMDH2430.3°30.0°
C1DC2DCMDH25150.3°150.0°
C3DC4DNDC1D0.7°3.0°
C3DC4DCHAND179.7°179.1°
C3DC4DCHAC1A178.3°178.7°
C3DC4DCHAH11.7°2.8°
C3DC4DNDH22179.2°176.9°
C4DC3DCADH2641.4°30.0°
C4DC3DCADH27161.0°150.0°
CHDC1DNDC4D179.5°177.1°
C1DCHDC4CH4180.0°178.9°
C1DCHDC4CC3C155.9°168.9°
C1DCHDC4CNC25.1°11.6°
CHDC1DNDH220.5°2.9°
C1DNDC4DCHA179.5°176.2°
C1DNDC4DH22180.0°179.9°
NDC1DCHDC4C9.3°1.5°
NDC1DCHDH4170.8°177.3°
C4DCHAC1AH1180.0°178.5°
C4DCHAC1AC2A169.1°168.8°
C4DCHAC1ANA11.9°11.9°
CHAC4DNDH220.5°3.8°
NDC4DCHAC1A2.0°2.2°
NDC4DCHAH1178.0°176.3°
CHDC4CC3CNC179.2°179.6°
CHDC4CC3CC2C178.8°176.9°
CHDC4CNCC1C178.8°174.9°
CHDC4CC3CH181.2°3.2°
C4CC3CC2CH18180.0°179.9°
C4CC3CC2CCMC179.7°179.8°
C4CC3CC2CC1C0.4°0.2°
C3CC4CNCC1C0.3°4.6°
C3CC4CCHDH424.1°10.0°
C2CC3CC4CNC0.5°2.6°
C3CC2CCMCC1C179.2°180.0°
C3CC2CC1CNC0.2°3.0°
C3CC2CC1CCHC179.8°177.1°
C3CC2CCMCH19180.0°90.0°
C3CC2CCMCH2060.0°30.0°
C3CC2CCMCH2160.0°150.0°
CHAC1AC2ACAA0.5°3.2°
CHAC1AC2ANA179.2°179.4°
CHAC1AC2AC3A179.9°176.9°
CHAC1ANAC4A179.9°175.3°
CAAC2AC1AC3A179.6°180.0°
CAAC2AC1ANA179.6°177.4°
CAAC2AC3ACMA0.1°0.2°
CAAC2AC3AC4A179.9°179.8°
C2ACAAH8H9116.6°120.0°
C2ACAACBAH1051.2°60.0°
C2ACAACBAH11169.8°60.0°
C4CNCC1CC2C0.1°4.8°
C4CNCC1CCHC179.5°175.4°
NCC4CCHDH4154.9°169.5°
NCC4CC3CH18179.6°177.3°
CMCC2CC1CNC179.5°177.1°
CMCC2CC1CCHC0.9°2.8°
CMCC2CC3CH180.3°0.1°
C2CCMCH19H20120.0°120.0°
C2CCMCH19H21120.0°120.0°
C2CCMCH20H21120.0°120.0°
C2CC1CNCCHC179.6°179.9°
C2CC1CCHCC4B159.8°170.0°
C2CC1CCHCH320.2°11.4°
C1CC2CC3CH18179.7°179.9°
C1CC2CCMCH190.8°90.0°
C1CC2CCMCH20120.8°150.1°
C1CC2CCMCH21119.2°30.0°
C2AC1ANAC4A0.8°4.1°
C1AC2AC3ACMA179.7°179.8°
C1AC2AC3AC4A0.4°0.2°
C2AC1ACHAH110.9°9.7°
C1AC2ACAAH8144.3°35.0°
C1AC2ACAAH926.5°155.1°
NAC1AC2AC3A0.8°2.6°
C1ANAC4AC3A0.5°4.0°
C1ANAC4ACHB179.8°175.6°
NAC1ACHAH1168.0°169.6°
C2AC3AC4ANA0.0°2.3°
C2AC3ACMAC4A179.8°180.0°
C2AC3AC4ACHB179.4°177.4°
C2AC3ACMAH5180.0°90.0°
C2AC3ACMAH660.0°150.0°
C2AC3ACMAH760.0°30.0°
C3AC2ACAAH836.2°145.0°
C3AC2ACAAH9154.0°25.0°
NCC1CCHCC4B20.7°9.8°
NCC1CCHCH3159.3°168.8°
C1CCHCC4BH3180.0°178.6°
C1CCHCC4BNB6.3°4.1°
C1CCHCC4BC3B173.1°175.4°
NAC4AC3ACMA179.8°177.8°
NAC4AC3ACHB179.4°179.6°
NAC4ACHBC1B16.2°10.1°
NAC4ACHBH2163.8°168.5°
CMAC3AC4ACHB0.4°2.6°
C3ACMAH5H6120.0°120.0°
C3ACMAH5H7120.0°120.0°
C3ACMAH6H7120.0°120.0°
C3AC4ACHBC1B164.5°170.4°
C3AC4ACHBH215.5°11.1°
C4AC3ACMAH50.2°90.0°
C4AC3ACMAH6120.2°30.0°
C4AC3ACMAH7119.8°150.0°
C4ACHBC1BNB7.9°4.4°
C4ACHBC1BH2180.0°178.5°
C4ACHBC1BC2B172.1°175.2°
CHCC4BNBC3B179.5°179.6°
CHCC4BNBC1B179.4°175.3°
CHCC4BC3BC2B179.5°177.2°
CHCC4BNBH130.5°4.7°
CHCC4BC3BH140.5°2.7°
C4BNBC1BH13180.0°180.0°
C4BNBC1BCHB180.0°175.5°
C4BNBC1BC2B0.0°5.0°
NBC4BC3BC2B0.0°3.1°
NBC4BCHCH3173.7°177.3°
NBC4BC3BH14180.0°176.9°
C1BNBC4BC3B0.0°5.0°
NBC1BCHBC2B180.0°179.5°
NBC1BC2BC3B0.0°3.0°
NBC1BC2BCMB179.8°176.9°
NBC1BCHBH2172.1°177.1°
C4BC3BC2BC1B0.0°0.1°
C4BC3BC2BH14180.0°179.9°
C4BC3BC2BCMB179.8°180.0°
C3BC4BCHCH36.9°3.2°
C3BC4BNBH13180.0°175.0°
CHBC1BC2BC3B180.0°177.4°
CHBC1BC2BCMB0.2°2.6°
CHBC1BNBH130.0°4.6°
C1BC2BC3BCMB179.8°180.0°
C2BC1BCHBH27.9°3.4°
C2BC1BNBH13180.0°175.0°
C1BC2BC3BH14180.0°180.0°
C1BC2BCMBH1590.1°90.0°
C1BC2BCMBH16149.9°150.0°
C1BC2BCMBH1729.9°30.0°
C3BC2BCMBH1590.2°90.0°
C3BC2BCMBH1629.9°30.0°
C3BC2BCMBH17149.9°150.0°
CMBC2BC3BH140.2°0.0°
C2BCMBH15H16120.0°120.0°
C2BCMBH15H17120.0°120.0°
C2BCMBH16H17120.0°120.0°
H5CMAH6H7120.0°120.0°
H8CAACBAH1069.9°180.0°
H8CAACBAH1148.7°60.0°
H9CAACBAH10172.3°60.0°
H9CAACBAH1169.1°180.0°
H15CMBH16H17120.0°120.0°
H19CMCH20H21120.0°120.0°
H23CMDH24H25120.0°120.0°
H26CADCBDH28158.9°180.0°
H26CADCBDH2941.7°60.0°
H27CADCBDH2881.5°59.9°
H27CADCBDH29161.3°180.0°

222415

PDB entries from 2024-07-10

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