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7BU

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F21CC1FCsing1.34Å1.34Å
F23CC1FCsing1.35Å1.35Å
C1FCF22Csing1.35Å1.35Å
C1FCCHCsing1.53Å1.53Å
C3BC2Bdoub1.35Å1.35Å
C3BC4Bsing1.46Å1.46Å
C2BC1Bsing1.45Å1.45Å
F22BC1FBsing1.35Å1.35Å
C4BCHCdoub1.41Å1.41Å
C4BNB2sing1.38Å1.38Å
CHCC1Csing1.42Å1.42Å
F21BC1FBsing1.36Å1.36Å
C1BNB2doub1.37Å1.37Å
C1BCHBsing1.42Å1.42Å
C1FBCHBsing1.54Å1.54Å
C1FBF23Bsing1.35Å1.35Å
NB2ZNsing2.09Å2.09Å
C1CC2Cdoub1.46Å1.46ÅAromatic
C1CNC3sing1.37Å1.37ÅAromatic
CHBC4Adoub1.43Å1.43Å
C2CC3Csing1.35Å1.35ÅAromatic
C4AC3Asing1.45Å1.45Å
C4ANA1sing1.38Å1.38Å
NC3ZNsing2.07Å2.07Å
NC3C4Csing1.37Å1.37ÅAromatic
C3CC4Cdoub1.46Å1.46ÅAromatic
C3AC2Adoub1.36Å1.36Å
ZNNA1sing2.07Å2.07Å
ZNND4sing2.10Å2.10Å
NA1C1Asing1.37Å1.37Å
C4CCHDsing1.42Å1.42Å
C2AC1Asing1.46Å1.46Å
C1ACHAdoub1.43Å1.43Å
ND4C1Dsing1.38Å1.38Å
ND4C4Ddoub1.38Å1.38Å
CHDC1Ddoub1.43Å1.43Å
CHDC1FDsing1.54Å1.54Å
F22AC1FAsing1.35Å1.35Å
CHAC4Dsing1.42Å1.42Å
CHAC1FAsing1.54Å1.54Å
C1DC2Dsing1.46Å1.46Å
C4DC3Dsing1.45Å1.45Å
F21DC1FDsing1.35Å1.35Å
F23DC1FDsing1.35Å1.35Å
C1FDF22Dsing1.35Å1.35Å
C1FAF23Asing1.35Å1.35Å
C1FAF21Asing1.35Å1.35Å
C2DC3Ddoub1.36Å1.36Å
C2AH2A1sing1.08Å1.08Å
C2BH2B1sing1.08Å1.08Å
C2CH2C1sing1.08Å1.08Å
C2DH2D1sing1.08Å1.08Å
C3AH3A1sing1.08Å1.08Å
C3BH3B1sing1.08Å1.08Å
C3CH3C1sing1.08Å1.08Å
C3DH3D1sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F21CC1FCF23C106.4°106.4°
F21CC1FCF22C104.8°104.8°
F21CC1FCCHC114.8°114.8°
F23CC1FCF22C106.8°106.8°
F23CC1FCCHC111.3°111.3°
F22CC1FCCHC112.1°112.1°
C1FCCHCC4B119.8°119.8°
C1FCCHCC1C114.7°114.7°
C2BC3BC4B107.4°107.4°
C3BC2BC1B107.1°107.1°
C3BC2BH2B1126.5°126.5°
C2BC3BH3B1126.3°126.3°
C3BC4BCHC127.0°127.0°
C3BC4BNB2109.0°109.0°
C4BC3BH3B1126.3°126.3°
C2BC1BNB2109.3°109.3°
C2BC1BCHB126.4°126.4°
C1BC2BH2B1126.5°126.5°
F22BC1FBF21B105.4°105.4°
F22BC1FBCHB113.4°113.4°
F22BC1FBF23B106.9°106.9°
CHCC4BNB2123.9°123.9°
C4BCHCC1C125.2°125.2°
C4BNB2C1B107.3°107.3°
C4BNB2ZN128.9°128.9°
CHCC1CC2C125.6°125.6°
CHCC1CNC3125.2°125.2°
F21BC1FBCHB111.9°111.9°
F21BC1FBF23B106.6°106.6°
NB2C1BCHB123.8°123.8°
C1BNB2ZN123.1°123.1°
C1BCHBC1FB118.4°118.4°
C1BCHBC4A124.0°124.0°
CHBC1FBF23B112.1°112.1°
C1FBCHBC4A116.4°116.4°
NB2ZNNC387.7°87.7°
NB2ZNNA187.3°87.3°
NB2ZNND4156.8°156.8°
C2CC1CNC3109.1°109.1°
C1CC2CC3C107.2°107.2°
C1CC2CH2C1126.4°126.4°
C1CNC3ZN128.4°128.4°
C1CNC3C4C107.3°107.3°
CHBC4AC3A125.9°125.9°
CHBC4ANA1124.5°124.5°
C2CC3CC4C107.0°107.0°
C3CC2CH2C1126.4°126.4°
C2CC3CH3C1126.5°126.5°
C3AC4ANA1109.3°109.3°
C4AC3AC2A107.0°107.0°
C4AC3AH3A1126.5°126.5°
C4ANA1ZN123.3°123.3°
C4ANA1C1A107.5°107.5°
ZNNC3C4C123.8°123.8°
NC3ZNNA1154.7°154.7°
NC3ZNND487.3°87.3°
NC3C4CC3C109.4°109.4°
NC3C4CCHD124.7°124.7°
C3CC4CCHD125.5°125.5°
C4CC3CH3C1126.5°126.5°
C3AC2AC1A107.3°107.3°
C3AC2AH2A1126.4°126.4°
C2AC3AH3A1126.5°126.5°
NA1ZNND487.6°87.6°
ZNNA1C1A128.8°128.8°
ZNND4C1D123.4°123.4°
ZNND4C4D129.0°129.0°
NA1C1AC2A108.9°108.9°
NA1C1ACHA125.2°125.2°
C4CCHDC1D123.9°123.9°
C4CCHDC1FD116.4°116.4°
C2AC1ACHA125.8°125.8°
C1AC2AH2A1126.4°126.4°
C1ACHAC4D125.1°125.1°
C1ACHAC1FA115.1°115.1°
C1DND4C4D107.4°107.4°
ND4C1DCHD124.2°124.2°
ND4C1DC2D109.1°109.1°
ND4C4DCHA123.9°123.9°
ND4C4DC3D108.9°108.9°
C1DCHDC1FD118.1°118.1°
CHDC1DC2D126.2°126.2°
CHDC1FDF21D113.4°113.4°
CHDC1FDF23D112.1°112.1°
CHDC1FDF22D111.5°111.5°
F22AC1FACHA112.3°112.3°
F22AC1FAF23A105.9°105.9°
F22AC1FAF21A105.3°105.3°
C4DCHAC1FA119.8°119.8°
CHAC4DC3D127.1°127.1°
CHAC1FAF23A115.0°115.0°
CHAC1FAF21A111.5°111.5°
C1DC2DC3D107.1°107.1°
C1DC2DH2D1126.4°126.4°
C4DC3DC2D107.4°107.4°
C4DC3DH3D1126.3°126.3°
F21DC1FDF23D107.0°107.0°
F21DC1FDF22D105.2°105.2°
F23DC1FDF22D107.1°107.1°
F23AC1FAF21A106.1°106.1°
C3DC2DH2D1126.4°126.5°
C2DC3DH3D1126.3°126.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F21CC1FCF23CF22C111.6°111.6°
F21CC1FCF23CCHC125.8°125.8°
F21CC1FCF22CCHC125.2°125.2°
F21CC1FCCHCC4B26.8°26.8°
F21CC1FCCHCC1C158.1°158.1°
F23CC1FCF22CCHC122.1°122.1°
F23CC1FCCHCC4B94.2°94.2°
F23CC1FCCHCC1C80.9°80.9°
F22CC1FCCHCC4B146.3°146.3°
F22CC1FCCHCC1C38.6°38.6°
C1FCCHCC4BC3B8.6°8.6°
C1FCCHCC4BC1C174.5°174.5°
C1FCCHCC4BNB2174.9°174.9°
C1FCCHCC1CC2C9.0°9.0°
C1FCCHCC1CNC3176.3°176.3°
C2BC3BC4BH3B1180.0°180.0°
C3BC2BC1BH2B1180.0°180.0°
C2BC3BC4BCHC176.6°176.6°
C2BC3BC4BNB20.3°0.3°
C3BC2BC1BNB20.2°0.2°
C3BC2BC1BCHB171.8°171.8°
C4BC3BC2BC1B0.3°0.3°
C3BC4BCHCNB2176.5°176.5°
C3BC4BCHCC1C166.0°166.0°
C3BC4BNB2C1B0.2°0.2°
C3BC4BNB2ZN170.3°170.3°
C4BC3BC2BH2B1179.7°179.7°
C2BC1BNB2C4B0.0°0.0°
C2BC1BNB2CHB172.2°172.2°
C2BC1BCHBC1FB13.8°13.8°
C2BC1BNB2ZN170.8°170.8°
C2BC1BCHBC4A153.0°153.0°
C1BC2BC3BH3B1179.7°179.7°
F22BC1FBF21BCHB123.7°123.7°
F22BC1FBF21BF23B113.4°113.4°
F22BC1FBCHBC1B81.3°81.3°
F22BC1FBCHBF23B121.2°121.2°
F22BC1FBCHBC4A86.5°86.5°
CHCC4BNB2C1B176.9°176.9°
CHCC4BNB2ZN6.7°6.7°
C4BCHCC1CC2C165.8°165.8°
C4BCHCC1CNC39.0°9.0°
CHCC4BC3BH3B13.3°3.3°
NB2C4BCHCC1C10.6°10.6°
C4BNB2C1BZN170.9°170.9°
C4BNB2C1BCHB172.2°172.2°
C4BNB2ZNNC31.6°1.6°
C4BNB2ZNNA1156.8°156.8°
C4BNB2ZNND479.4°79.4°
NB2C4BC3BH3B1179.7°179.7°
CHCC1CC2CNC3175.4°175.4°
CHCC1CC2CC3C175.3°175.3°
CHCC1CNC3ZN3.5°3.5°
CHCC1CNC3C4C175.3°175.3°
CHCC1CC2CH2C14.7°4.7°
F21BC1FBCHBC1B37.8°37.8°
F21BC1FBCHBF23B119.7°119.7°
F21BC1FBCHBC4A154.4°154.4°
NB2C1BCHBC1FB175.3°175.3°
NB2C1BCHBC4A17.9°17.9°
C1BNB2ZNNC3170.4°170.4°
C1BNB2ZNNA134.4°34.4°
C1BNB2ZNND4111.8°111.8°
NB2C1BC2BH2B1179.8°179.8°
C1BCHBC1FBC4A167.8°167.8°
C1BCHBC1FBF23B157.5°157.5°
CHBC1BNB2ZN16.9°16.9°
C1BCHBC4AC3A152.9°152.9°
C1BCHBC4ANA120.7°20.7°
CHBC1BC2BH2B18.2°8.2°
C1FBCHBC4AC3A14.2°14.2°
C1FBCHBC4ANA1172.2°172.2°
F23BC1FBCHBC4A34.7°34.7°
NB2ZNNC3C1C0.1°0.1°
NB2ZNNA1C4A31.9°31.9°
NB2ZNNC3NA178.8°78.8°
NB2ZNNC3ND4157.3°157.3°
NB2ZNNC3C4C170.7°170.7°
NB2ZNNA1ND4157.4°157.4°
NB2ZNNA1C1A156.0°156.0°
NB2ZNND4C1D108.7°108.7°
NB2ZNND4C4D75.6°75.6°
C1CC2CC3CH2C1180.0°180.0°
C2CC1CNC3ZN172.0°172.0°
C2CC1CNC3C4C0.1°0.1°
C1CC2CC3CC4C0.0°0.0°
C1CC2CC3CH3C1180.0°180.0°
NC3C1CC2CC3C0.1°0.1°
C1CNC3ZNC4C170.6°170.6°
C1CNC3C4CC3C0.1°0.1°
C1CNC3ZNNA178.9°78.9°
C1CNC3ZNND4157.4°157.4°
C1CNC3C4CCHD173.0°173.0°
NC3C1CC2CH2C1179.9°179.9°
CHBC4AC3ANA1174.4°174.4°
CHBC4AC3AC2A173.9°173.9°
CHBC4ANA1ZN12.1°12.1°
CHBC4ANA1C1A174.4°174.4°
CHBC4AC3AH3A16.1°6.1°
C2CC3CC4CNC30.0°0.0°
C2CC3CC4CH3C1180.0°180.0°
C2CC3CC4CCHD172.9°172.9°
C4AC3AC2AH3A1180.0°180.0°
C3AC4ANA1ZN173.4°173.4°
C3AC4ANA1C1A0.1°0.1°
C4AC3AC2AC1A0.6°0.6°
C4AC3AC2AH2A1179.4°179.4°
C4ANA1ZNNC3110.8°110.8°
NA1C4AC3AC2A0.5°0.5°
C4ANA1ZNC1A172.1°172.1°
C4ANA1ZNND4170.7°170.7°
C4ANA1C1AC2A0.2°0.2°
C4ANA1C1ACHA175.5°175.5°
NA1C4AC3AH3A1179.5°179.5°
ZNNC3C4CC3C172.4°172.4°
NC3ZNNA1ND478.4°78.4°
NC3ZNNA1C1A77.1°77.1°
ZNNC3C4CCHD14.7°14.7°
NC3ZNND4C1D30.8°30.8°
NC3ZNND4C4D153.4°153.4°
NC3C4CC3CCHD172.8°172.8°
C4CNC3ZNNA1110.5°110.5°
C4CNC3ZNND432.0°32.0°
NC3C4CCHDC1D18.4°18.4°
NC3C4CCHDC1FD176.4°176.4°
NC3C4CC3CH3C1179.9°179.9°
C3CC4CCHDC1D153.3°153.3°
C3CC4CCHDC1FD11.9°11.9°
C4CC3CC2CH2C1180.0°180.0°
C3AC2AC1ANA10.5°0.5°
C3AC2AC1AH2A1180.0°180.0°
C3AC2AC1ACHA175.2°175.2°
ZNNA1C1AC2A173.3°173.3°
ZNNA1C1ACHA2.5°2.5°
NA1ZNND4C1D174.0°174.0°
NA1ZNND4C4D1.8°1.8°
ND4ZNNA1C1A1.3°1.3°
ZNND4C1DC4D176.5°176.5°
ZNND4C1DCHD12.3°12.3°
ZNND4C4DCHA1.5°1.5°
ZNND4C1DC2D175.8°175.8°
ZNND4C4DC3D175.7°175.7°
NA1C1AC2ACHA175.7°175.7°
NA1C1ACHAC4D7.0°7.0°
NA1C1ACHAC1FA175.0°175.0°
NA1C1AC2AH2A1179.5°179.5°
C4CCHDC1DND419.4°19.4°
C4CCHDC1DC1FD165.0°165.0°
C4CCHDC1DC2D151.1°151.1°
C4CCHDC1FDF21D38.0°38.0°
C4CCHDC1FDF23D83.4°83.4°
C4CCHDC1FDF22D156.5°156.5°
CHDC4CC3CH3C17.1°7.1°
C2AC1ACHAC4D168.0°168.0°
C2AC1ACHAC1FA10.0°10.0°
C1AC2AC3AH3A1179.4°179.4°
C1ACHAC4DND46.5°6.5°
C1ACHAC1FAF22A34.7°34.7°
C1ACHAC4DC1FA177.9°177.9°
C1ACHAC4DC3D170.2°170.2°
C1ACHAC1FAF23A155.9°155.9°
C1ACHAC1FAF21A83.3°83.3°
CHAC1AC2AH2A14.8°4.8°
ND4C1DCHDC2D170.5°170.5°
ND4C1DCHDC1FD175.6°175.6°
C1DND4C4DCHA177.8°177.8°
C1DND4C4DC3D0.6°0.6°
ND4C1DC2DC3D0.6°0.6°
ND4C1DC2DH2D1179.3°179.4°
C4DND4C1DCHD171.1°171.1°
ND4C4DCHAC3D176.7°176.7°
ND4C4DCHAC1FA175.6°175.6°
C4DND4C1DC2D0.8°0.8°
ND4C4DC3DC2D0.2°0.2°
ND4C4DC3DH3D1179.8°179.8°
C1DCHDC1FDF21D155.9°155.9°
C1DCHDC1FDF23D82.7°82.7°
C1DCHDC1FDF22D37.4°37.4°
CHDC1DC2DC3D171.1°171.1°
CHDC1DC2DH2D19.0°8.9°
C1FDCHDC1DC2D13.9°13.9°
CHDC1FDF21DF23D124.2°124.2°
CHDC1FDF21DF22D122.1°122.1°
CHDC1FDF23DF22D122.6°122.6°
F22AC1FACHAC4D147.2°147.2°
F22AC1FACHAF23A121.2°121.2°
F22AC1FACHAF21A118.0°118.0°
F22AC1FAF23AF21A111.6°111.6°
C4DCHAC1FAF23A26.0°26.0°
C4DCHAC1FAF21A94.8°94.8°
CHAC4DC3DC2D177.3°177.3°
CHAC4DC3DH3D12.7°2.7°
C1FACHAC4DC3D7.7°7.7°
CHAC1FAF23AF21A123.7°123.7°
C1DC2DC3DC4D0.2°0.2°
C1DC2DC3DH2D1180.0°180.0°
C1DC2DC3DH3D1179.8°179.8°
C4DC3DC2DH3D1180.0°180.0°
C4DC3DC2DH2D1179.7°179.8°
F21DC1FDF23DF22D112.4°112.4°
H2A1C2AC3AH3A10.6°0.6°
H2B1C2BC3BH3B10.3°0.3°
H2C1C2CC3CH3C10.0°0.0°
H2D1C2DC3DH3D10.2°0.2°

227344

PDB entries from 2024-11-13

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