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6E1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1FC1Esing1.43Å1.42Å
C1EC1Dsing1.53Å1.57Å
F50C3Asing1.35Å1.34Å
OAC1Adoub1.22Å1.23Å
C1DO1Dsing1.43Å1.45Å
C1DC5Dsing1.53Å1.46Å
O1DC2Dsing1.43Å1.55Å
O01C2Csing1.43Å1.43Å
F51C4Asing1.35Å1.33Å
C5DO2Dsing1.43Å1.47Å
C5DC4Dsing1.53Å1.49Å
C3AC4Adoub1.38Å1.43ÅAromatic
C3AC2Asing1.40Å1.36ÅAromatic
C1ANAsing1.35Å1.37Å
C1AC2Asing1.47Å1.58Å
C3CC2Csing1.53Å1.52Å
C3CNAsing1.47Å1.41Å
C3CC4Csing1.53Å1.52Å
C1CC2Csing1.53Å1.45Å
C1CS1Csing1.81Å1.79Å
C1CO5Csing1.43Å1.48Å
C5CC4Csing1.53Å1.48Å
C5CO5Csing1.43Å1.47Å
C5CC6Csing1.53Å1.49Å
C2DS1Csing1.81Å1.52Å
C2DC3Dsing1.53Å1.57Å
C4AC5Asing1.39Å1.38ÅAromatic
C2AC7Adoub1.40Å1.41ÅAromatic
C4CO4Csing1.43Å1.42Å
O83C6Csing1.43Å1.40Å
C4DC3Dsing1.53Å1.48Å
C4DN1Esing1.46Å1.47Å
C3DO1sing1.43Å1.43Å
O1GC1Fdoub1.22Å1.28Å
C5AO54sing1.36Å1.37Å
C5AC6Adoub1.39Å1.42ÅAromatic
C7AC6Asing1.38Å1.36ÅAromatic
C7AF52sing1.35Å1.36Å
N1EC1Fsing1.35Å1.38Å
C1FC4Fsing1.47Å1.50Å
O54C55sing1.43Å1.38Å
C6AF53sing1.35Å1.31Å
F46C3Fsing1.35Å1.36Å
C4FC3Fdoub1.40Å1.40ÅAromatic
C4FC5Fsing1.40Å1.37ÅAromatic
C3FC2Fsing1.38Å1.38ÅAromatic
F45C5Fsing1.35Å1.34Å
C5FC6Fdoub1.38Å1.41ÅAromatic
C2FF47sing1.35Å1.39Å
C2FC1Gdoub1.39Å1.37ÅAromatic
C6FC1Gsing1.39Å1.36ÅAromatic
C6FF49sing1.35Å1.28Å
C1GO48sing1.36Å1.41Å
O48C49sing1.43Å1.42Å
C49H1sing1.09Å1.10Å
C49H2sing1.09Å1.10Å
C49H3sing1.09Å1.10Å
N1EH4sing0.97Å1.00Å
C4DH5sing1.09Å1.10Å
C3DH6sing1.09Å1.10Å
O1H7sing0.97Å0.95Å
C5DH8sing1.09Å1.10Å
O2DH9sing0.97Å0.95Å
C1DH10sing1.09Å1.10Å
C1EH11sing1.09Å1.10Å
C1EH12sing1.09Å1.10Å
O1FH13sing0.97Å0.95Å
C2DH14sing1.09Å1.10Å
C1CH15sing1.09Å1.10Å
C2CH16sing1.09Å1.10Å
O01H17sing0.97Å0.95Å
C5CH18sing1.09Å1.10Å
C6CH19sing1.09Å1.10Å
C6CH20sing1.09Å1.10Å
O83H21sing0.97Å0.95Å
C4CH22sing1.09Å1.10Å
O4CH23sing0.97Å0.95Å
C3CH24sing1.09Å1.10Å
NAH25sing0.97Å1.00Å
C55H26sing1.09Å1.10Å
C55H27sing1.09Å1.10Å
C55H28sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1FC1EC1D110.5°109.4°
O1FC1EH11109.2°109.5°
O1FC1EH12109.2°109.5°
C1EO1FH13109.5°114.0°
C1EC1DO1D107.0°109.5°
C1EC1DC5D105.3°109.4°
C1EC1DH10108.8°109.5°
C1DC1EH11109.2°109.5°
C1DC1EH12109.2°109.4°
F50C3AC4A120.5°120.1°
F50C3AC2A119.7°120.0°
OAC1ANA121.3°120.0°
OAC1AC2A124.8°120.0°
O1DC1DC5D114.6°109.4°
C1DO1DC2D109.8°114.1°
O1DC1DH10110.4°109.5°
C1DC5DO2D109.6°109.5°
C1DC5DC4D106.7°109.1°
C1DC5DH8110.9°109.5°
C5DC1DH10110.4°109.5°
O1DC2DS1C109.1°109.5°
O1DC2DC3D100.5°109.4°
O1DC2DH14108.6°109.5°
O01C2CC3C110.8°109.6°
O01C2CC1C110.3°109.5°
O01C2CH16109.6°109.5°
C2CO01H17109.5°114.0°
F51C4AC3A118.0°119.9°
F51C4AC5A123.9°119.9°
O2DC5DC4D108.3°109.5°
O2DC5DH8110.7°109.5°
C5DO2DH9109.5°114.0°
C5DC4DC3D111.1°109.0°
C5DC4DN1E108.9°109.5°
C5DC4DH5107.4°109.6°
C4DC5DH8110.5°109.5°
C4AC3AC2A119.8°119.9°
C3AC4AC5A118.1°120.1°
C3AC2AC1A115.7°120.2°
C3AC2AC7A122.0°119.7°
NAC1AC2A113.8°120.0°
C1ANAC3C123.3°120.0°
C1ANAH25118.4°120.0°
C1AC2AC7A122.3°120.1°
C2CC3CNA104.6°109.5°
C2CC3CC4C114.5°109.0°
C3CC2CC1C108.6°109.2°
C3CC2CH16108.3°109.5°
C2CC3CH24109.0°109.5°
NAC3CC4C109.0°109.6°
NAC3CH24110.7°109.5°
C3CNAH25118.4°120.0°
C3CC4CC5C111.8°109.2°
C3CC4CO4C106.6°109.5°
C3CC4CH22109.0°109.6°
C4CC3CH24109.0°109.6°
C2CC1CS1C109.7°109.5°
C2CC1CO5C115.9°109.4°
C2CC1CH15109.3°109.5°
C1CC2CH16109.2°109.5°
S1CC1CO5C107.0°109.5°
C1CS1CC2D102.0°103.0°
S1CC1CH15105.6°109.4°
C1CO5CC5C111.6°114.1°
O5CC1CH15108.9°109.5°
C4CC5CO5C109.1°109.4°
C4CC5CC6C115.6°109.5°
C5CC4CO4C109.5°109.5°
C4CC5CH18108.9°109.5°
C5CC4CH22109.5°109.5°
O5CC5CC6C105.2°109.5°
O5CC5CH18109.0°109.4°
C5CC6CO83113.1°109.5°
C6CC5CH18108.8°109.5°
C5CC6CH19108.6°109.5°
C5CC6CH20108.5°109.5°
S1CC2DC3D120.7°109.5°
S1CC2DH14108.9°109.5°
C2DC3DC4D115.0°109.2°
C2DC3DO1106.6°109.5°
C2DC3DH6109.1°109.6°
C3DC2DH14108.3°109.5°
C4AC5AO54122.0°119.9°
C4AC5AC6A120.8°120.3°
C2AC7AC6A118.4°119.9°
C2AC7AF52119.9°120.1°
O4CC4CH22110.4°109.5°
C4CO4CH23109.5°114.0°
O83C6CH19108.5°109.4°
O83C6CH20108.5°109.5°
C6CO83H21109.5°114.0°
C3DC4DN1E114.1°109.6°
C4DC3DO1104.7°109.5°
C3DC4DH5107.5°109.5°
C4DC3DH6110.4°109.5°
C4DN1EC1F121.0°120.0°
C4DN1EH4119.5°120.0°
N1EC4DH5107.6°109.5°
O1C3DH6111.0°109.5°
C3DO1H7109.5°114.0°
O1GC1FN1E124.5°120.0°
O1GC1FC4F117.6°120.0°
O54C5AC6A117.1°119.8°
C5AO54C55117.6°117.0°
C5AC6AC7A120.8°120.1°
C5AC6AF53121.2°120.0°
C6AC7AF52121.7°120.0°
C7AC6AF53117.9°119.9°
N1EC1FC4F117.9°120.0°
C1FN1EH4119.5°120.0°
C1FC4FC3F119.3°120.1°
C1FC4FC5F121.4°120.1°
O54C55H26109.5°109.4°
O54C55H27109.5°109.5°
O54C55H28109.5°109.5°
F46C3FC4F120.0°120.1°
F46C3FC2F121.9°120.0°
C3FC4FC5F119.3°119.8°
C4FC3FC2F118.1°119.9°
C4FC5FF45123.3°120.0°
C4FC5FC6F122.0°119.9°
C3FC2FF47118.4°119.9°
C3FC2FC1G121.6°120.1°
F45C5FC6F114.6°120.1°
C5FC6FC1G117.0°120.2°
C5FC6FF49119.9°119.9°
F47C2FC1G119.9°119.9°
C2FC1GC6F121.5°120.2°
C2FC1GO48116.3°119.9°
C1GC6FF49122.5°119.9°
C6FC1GO48121.8°119.9°
C1GO48C49121.4°117.0°
O48C49H1109.5°109.5°
O48C49H2109.5°109.4°
O48C49H3109.5°109.5°
H1C49H2109.4°109.5°
H1C49H3109.5°109.4°
H2C49H3109.5°109.5°
H11C1EH12109.4°109.5°
H19C6CH20109.5°109.4°
H26C55H27109.5°109.5°
H26C55H28109.5°109.5°
H27C55H28109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1FC1EC1DH11120.2°120.0°
O1FC1EC1DH12120.2°120.0°
O1FC1EC1DO1D57.5°65.0°
O1FC1EC1DC5D179.8°175.1°
O1FC1EC1DH1061.8°55.1°
O1FC1EH11H12119.5°120.0°
C1EC1DO1DC5D116.3°120.0°
C1EC1DO1DH10118.3°120.0°
C1EC1DC5DH10117.3°120.0°
C1EC1DO1DC2D175.9°178.9°
C1EC1DC5DO2D60.6°57.7°
C1EC1DC5DC4D177.7°177.6°
C1EC1DC5DH861.9°62.5°
C1DC1EH11H12119.5°120.0°
C1DC1EO1FH13180.0°180.0°
F50C3AC4AF511.1°0.3°
F50C3AC4AC2A178.8°180.0°
F50C3AC2AC1A1.7°0.0°
F50C3AC4AC5A178.1°179.9°
F50C3AC2AC7A178.9°180.0°
OAC1AC2AC3A47.8°89.9°
OAC1ANAC2A176.7°179.9°
OAC1ANAC3C2.4°0.1°
OAC1AC2AC7A132.8°90.1°
OAC1ANAH25177.6°179.9°
O1DC1DC5DH10125.4°120.0°
O1DC1DC5DO2D56.7°62.3°
O1DC1DC5DC4D60.4°57.6°
C1DO1DC2DS1C172.7°178.9°
C1DO1DC2DC3D59.4°61.2°
O1DC1DC5DH8179.2°177.5°
O1DC1DC1EH1162.7°175.0°
O1DC1DC1EH12177.7°55.0°
C1DO1DC2DH1454.2°58.8°
C5DC1DO1DC2D67.8°61.2°
C1DC5DO2DC4D116.1°119.6°
C1DC5DO2DH8122.7°120.2°
C1DC5DC4DH8120.7°119.9°
C1DC5DC4DC3D53.4°57.0°
C1DC5DC4DN1E179.9°176.9°
C1DC5DC4DH563.8°62.9°
C1DC5DO2DH9180.0°60.3°
C5DC1DC1EH1159.7°55.1°
C5DC1DC1EH1260.0°64.9°
O1DC2DS1CC1C105.5°65.0°
O1DC2DS1CC3D115.5°119.9°
O1DC2DS1CH14118.4°120.0°
O1DC2DC3DH14113.8°120.0°
O1DC2DC3DC4D58.2°57.6°
O1DC2DC3DO1173.8°177.5°
O1DC2DC3DH666.3°62.3°
C2DO1DC1DH1057.6°58.8°
O01C2CC3CC1C121.2°120.0°
O01C2CC3CH16120.3°120.1°
O01C2CC3CNA72.2°63.2°
O01C2CC3CC4C168.6°176.9°
O01C2CC1CH16120.5°120.1°
O01C2CC1CS1C66.9°62.4°
O01C2CC1CO5C171.8°177.5°
O01C2CC1CH1548.3°57.6°
O01C2CC3CH2446.2°56.9°
F51C4AC3AC5A177.0°179.8°
F51C4AC3AC2A179.8°179.8°
F51C4AC5AO544.5°0.2°
F51C4AC5AC6A178.5°179.7°
O2DC5DC4DH8121.4°120.2°
O2DC5DC4DC3D64.5°62.9°
O2DC5DC4DN1E62.0°57.0°
O2DC5DC4DH5178.3°177.2°
O2DC5DC1DH10178.0°177.7°
C5DC4DC3DC2D58.6°57.0°
C5DC4DC3DN1E123.6°119.9°
C5DC4DC3DH5117.2°120.0°
C5DC4DN1EH5116.1°120.3°
C5DC4DC3DO1175.2°176.9°
C5DC4DN1EC1F93.8°155.5°
C5DC4DN1EH486.2°24.6°
C5DC4DC3DH665.2°63.0°
C4DC5DO2DH964.0°180.0°
C4DC5DC1DH1065.0°62.4°
C4AC3AC2AC1A177.1°180.0°
C4AC3AC2AC7A2.3°0.0°
C3AC4AC5AO54178.7°180.0°
C3AC4AC5AC6A1.7°0.1°
C3AC2AC1ANA128.8°90.0°
C3AC2AC1AC7A179.4°180.0°
C2AC3AC4AC5A3.2°0.1°
C3AC2AC7AC6A0.0°0.0°
C3AC2AC7AF52179.4°180.0°
C1ANAC3CC2C141.8°85.0°
C1ANAC3CH25180.0°180.0°
C1ANAC3CC4C95.3°155.5°
NAC1AC2AC7A50.6°90.0°
C1ANAC3CH2424.6°35.2°
C2AC1ANAC3C179.1°179.9°
C1AC2AC7AC6A179.4°180.0°
C1AC2AC7AF521.2°0.0°
C2AC1ANAH250.9°0.0°
C2CC3CNAC4C122.9°119.6°
C2CC3CNAH24117.2°120.1°
C2CC3CC4CH24122.3°119.9°
C3CC2CC1CH16117.9°119.9°
C3CC2CC1CS1C171.5°177.6°
C3CC2CC1CO5C50.2°57.5°
C2CC3CC4CC5C52.1°57.0°
C2CC3CC4CO4C67.5°62.9°
C3CC2CC1CH1573.2°62.4°
C3CC2CO01H17180.0°179.7°
C2CC3CC4CH22173.3°176.9°
C2CC3CNAH2538.2°95.0°
NAC3CC4CH24120.9°120.2°
NAC3CC2CC1C166.6°176.8°
NAC3CC4CC5C168.9°176.9°
NAC3CC4CO4C49.2°56.9°
NAC3CC2CH1648.1°56.9°
NAC3CC4CH2269.9°63.2°
C4CC3CC2CC1C47.3°56.9°
C3CC4CC5CO4C117.9°119.9°
C3CC4CC5CH22120.9°120.0°
C3CC4CC5CO5C55.3°57.6°
C3CC4CC5CC6C173.6°177.6°
C3CC4CO4CH22118.3°120.2°
C4CC3CC2CH1671.2°63.0°
C3CC4CC5CH1863.6°62.3°
C3CC4CO4CH23180.0°179.7°
C4CC3CNAH2584.7°24.5°
C2CC1CS1CO5C126.5°120.0°
C2CC1CS1CH15117.6°120.0°
C2CC1CO5CH15123.6°120.0°
C2CC1CO5CC5C57.7°61.1°
C2CC1CS1CC2D177.0°175.0°
C1CC2CO01H1759.8°60.0°
C1CC2CC3CH2475.0°63.0°
S1CC1CO5CH15113.6°120.0°
S1CC1CO5CC5C179.6°178.9°
C1CS1CC2DC3D139.0°175.1°
C1CS1CC2DH1412.9°55.0°
S1CC1CC2CH1653.6°57.7°
C1CO5CC5CC4C57.3°61.1°
C1CO5CC5CC6C178.1°178.9°
O5CC1CS1CC2D50.5°65.0°
O5CC1CC2CH1667.7°62.3°
C1CO5CC5CH1861.6°58.8°
C4CC5CO5CC6C124.7°120.0°
C4CC5CO5CH18118.8°120.0°
C4CC5CC6CH18122.8°120.1°
C5CC4CO4CH22120.7°120.1°
C4CC5CC6CO83178.1°175.0°
C4CC5CC6CH1961.4°55.0°
C4CC5CC6CH2057.5°64.9°
C5CC4CO4CH2358.9°60.0°
C5CC4CC3CH2470.2°62.9°
O5CC5CC6CH18116.7°120.0°
O5CC5CC4CO4C62.6°62.3°
O5CC5CC6CO8357.6°65.1°
C5CO5CC1CH1566.0°58.9°
O5CC5CC6CH19178.1°175.0°
O5CC5CC6CH2062.9°55.0°
O5CC5CC4CH22176.2°177.6°
C6CC5CC4CO4C55.8°57.7°
C5CC6CO83H19120.6°120.0°
C5CC6CO83H20120.5°120.1°
C5CC6CH19H20118.3°120.0°
C5CC6CO83H21180.0°179.9°
C6CC5CC4CH2265.5°62.4°
S1CC2DC3DH14126.4°120.1°
S1CC2DC3DC4D178.0°177.6°
S1CC2DC3DO166.4°62.5°
S1CC2DC3DH653.5°57.6°
C2DS1CC1CH1565.3°55.0°
C2DC3DC4DO1116.6°119.9°
C2DC3DC4DH6123.8°120.0°
C2DC3DC4DN1E177.8°176.9°
C2DC3DO1H6118.7°120.2°
C2DC3DC4DH558.5°62.9°
C2DC3DO1H7180.0°60.3°
C4AC5AO54C6A177.1°179.9°
C4AC5AC6AC7A0.6°0.1°
C4AC5AO54C55133.7°89.9°
C4AC5AC6AF53177.3°179.9°
C2AC7AC6AC5A1.6°0.1°
C2AC7AC6AF52179.3°180.0°
C2AC7AC6AF53178.3°180.0°
O4CC4CC5CH18178.5°177.8°
O4CC4CC3CH24170.1°177.2°
O83C6CC5CH1859.1°54.9°
O83C6CH19H20118.3°120.0°
C3DC4DN1EH5119.1°120.2°
C4DC3DO1H6119.1°120.1°
C3DC4DN1EC1F141.4°85.0°
C3DC4DN1EH438.6°95.0°
C4DC3DO1H757.7°180.0°
C3DC4DC5DH8174.1°176.9°
C4DC3DC2DH1455.6°62.4°
N1EC4DC3DO161.2°63.2°
C4DN1EC1FO1G4.7°0.0°
C4DN1EC1FH4180.0°179.9°
C4DN1EC1FC4F177.9°180.0°
N1EC4DC3DH658.4°56.9°
N1EC4DC5DH859.4°63.2°
O1C3DC4DH558.0°57.0°
O1C3DC2DH1460.0°57.5°
O1GC1FN1EC4F177.4°180.0°
O1GC1FC4FC3F135.0°90.0°
O1GC1FC4FC5F43.9°90.5°
O1GC1FN1EH4175.3°180.0°
O54C5AC6AC7A176.5°180.0°
O54C5AC6AF530.1°0.1°
C5AO54C55H26180.0°60.0°
C5AO54C55H2760.0°180.0°
C5AO54C55H2860.0°60.0°
C5AC6AC7AF53176.7°179.9°
C5AC6AC7AF52179.1°179.9°
C6AC5AO54C5549.2°90.0°
F52C7AC6AF532.4°0.0°
N1EC1FC4FC3F42.6°90.0°
N1EC1FC4FC5F138.5°89.5°
C1FN1EC4DH522.3°35.2°
C1FC4FC3FF461.2°0.3°
C1FC4FC3FC5F178.9°179.5°
C1FC4FC3FC2F178.3°180.0°
C1FC4FC5FF451.2°0.3°
C1FC4FC5FC6F176.2°180.0°
C4FC1FN1EH42.1°0.0°
O54C55H26H27120.0°120.0°
O54C55H26H28120.0°120.0°
O54C55H27H28120.0°120.0°
F46C3FC4FC2F177.1°179.7°
F46C3FC4FC5F179.9°179.8°
F46C3FC2FF472.2°0.0°
F46C3FC2FC1G179.6°180.0°
C3FC4FC5FF45179.9°179.8°
C3FC4FC5FC6F4.9°0.5°
C4FC3FC2FF47179.3°179.7°
C4FC3FC2FC1G2.5°0.3°
C5FC4FC3FC2F2.7°0.5°
C4FC5FF45C6F175.3°179.7°
C4FC5FC6FC1G6.6°0.3°
C4FC5FC6FF49178.2°179.7°
C3FC2FF47C1G178.3°180.0°
C3FC2FC1GC6F4.4°0.1°
C3FC2FC1GO48178.0°180.0°
F45C5FC6FC1G178.0°180.0°
F45C5FC6FF496.4°0.0°
C5FC6FC1GC2F6.2°0.1°
C5FC6FC1GF49171.4°179.9°
C5FC6FC1GO48179.4°180.0°
F47C2FC1GC6F177.4°179.9°
F47C2FC1GO483.8°0.0°
C2FC1GC6FO48173.2°179.9°
C2FC1GC6FF49177.6°180.0°
C2FC1GO48C49147.8°90.0°
C6FC1GO48C4938.7°90.0°
F49C6FC1GO489.2°0.0°
C1GO48C49H1180.0°60.0°
C1GO48C49H260.0°180.0°
C1GO48C49H360.0°60.0°
O48C49H1H2120.0°120.0°
O48C49H1H3120.0°120.0°
O48C49H2H3120.0°120.0°
H1C49H2H3120.0°120.0°
H4N1EC4DH5157.7°144.9°
H5C4DC3DH6177.6°177.1°
H5C4DC5DH856.9°57.0°
H6C3DO1H761.4°59.9°
H6C3DC2DH14179.9°177.7°
H8C5DO2DH957.3°59.8°
H8C5DC1DH1055.4°57.5°
H10C1DC1EH11178.0°64.9°
H10C1DC1EH1258.4°175.1°
H11C1EO1FH1359.8°60.0°
H12C1EO1FH1359.9°60.0°
H15C1CC2CH16168.8°177.7°
H16C2CO01H1760.5°60.1°
H16C2CC3CH24166.5°177.1°
H18C5CC6CH1961.4°65.0°
H18C5CC6CH20179.6°175.0°
H18C5CC4CH2257.3°57.6°
H19C6CO83H2159.5°59.9°
H20C6CO83H2159.4°60.0°
H22C4CO4CH2361.7°60.1°
H22C4CC3CH2451.0°57.1°
H24C3CNAH25155.4°144.8°
H26C55H27H28120.0°120.0°

226262

PDB entries from 2024-10-16

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