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FEG

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C2doub1.32Å1.34ÅAromatic
N1C6sing1.32Å1.37ÅAromatic
C2O2sing1.36Å1.42Å
C2C3sing1.39Å1.40ÅAromatic
C3C3Msing1.51Å1.51Å
C3C4doub1.39Å1.41ÅAromatic
C3MH3Msing1.09Å1.10Å
C3MH3MAsing1.09Å1.10Å
C3MH3MBsing1.09Å1.10Å
C4C5sing1.39Å1.40ÅAromatic
C4O3Psing1.36Å1.39Å
C5C5Msing1.51Å1.52Å
C5C6doub1.38Å1.41ÅAromatic
C5MH5Msing1.09Å1.10Å
C5MH5MAsing1.09Å1.10Å
C5MH5MBsing1.09Å1.10Å
C6C7sing1.51Å1.51Å
C7C8sing1.51Å1.52Å
C7H7sing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
C8O28doub1.21Å1.25Å
C8O18sing1.34Å1.27Å
O18H20sing0.97Å0.95Å
O3PP1sing1.61Å1.64Å
P1O1Pdoub1.48Å1.49Å
P1O2Psing1.61Å1.51Å
P1O5Ssing1.61Å1.60Å
O2PH24sing0.97Å0.95Å
O5SC5Ssing1.43Å1.40Å
C5SC4Ssing1.53Å1.52Å
C5SH5Ssing1.09Å1.10Å
C5SH5SAsing1.09Å1.10Å
C4SC3Ssing1.54Å1.54Å
C4SO4Ssing1.44Å1.39Å
C4SH4Ssing1.09Å1.10Å
C3SO3Ssing1.43Å1.41Å
C3SC2Ssing1.55Å1.53Å
C3SH3Ssing1.09Å1.10Å
O3SHO3Ssing0.97Å0.95Å
C2SO2Ssing1.43Å1.41Å
C2SC1Ssing1.54Å1.53Å
C2SH2Ssing1.09Å1.10Å
O2SHO2Ssing0.97Å0.95Å
C1SO4Ssing1.44Å1.40Å
C1SN9Asing1.47Å1.48Å
C1SH23sing1.09Å1.10Å
N9AC8Asing1.37Å1.35ÅAromatic
N9AC4Asing1.37Å1.36ÅAromatic
C8AN7Adoub1.30Å1.35ÅAromatic
C8AH8Asing1.08Å1.08Å
N7AC5Asing1.36Å1.39ÅAromatic
C5AC4Adoub1.40Å1.42ÅAromatic
C5AC6Asing1.41Å1.39Å
C4AN3Asing1.34Å1.38Å
C6AO6Adoub1.22Å1.32Å
C6AN1Asing1.35Å1.38Å
N1AC2Asing1.36Å1.36Å
N1AHN1Asing0.97Å1.00Å
C2AN3Adoub1.31Å1.35Å
C2AN2Asing1.37Å1.35Å
N2AHN2Asing0.97Å1.00Å
N2AHN2Bsing0.97Å1.00Å
O2H25sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1C6126.0°121.8°
N1C2O2118.2°119.7°
N1C2C3118.6°120.7°
N1C6C5116.9°120.9°
N1C6C7120.1°119.5°
O2C2C3123.2°119.6°
C2O2H25109.5°114.0°
C2C3C3M120.0°120.5°
C2C3C4118.3°119.0°
C3MC3C4121.7°120.5°
C3C3MH3M109.5°109.5°
C3C3MH3MA109.5°109.4°
C3C3MH3MB109.4°109.5°
C3C4C5121.1°118.4°
C3C4O3P119.5°120.8°
H3MC3MH3MA109.4°109.5°
H3MC3MH3MB109.5°109.5°
H3MAC3MH3MB109.5°109.4°
C5C4O3P119.3°120.8°
C4C5C5M120.5°120.4°
C4C5C6119.1°119.2°
C4O3PP1125.4°114.0°
C5MC5C6120.4°120.4°
C5C5MH5M109.5°109.5°
C5C5MH5MA109.4°109.5°
C5C5MH5MB109.5°109.5°
C5C6C7122.9°119.6°
H5MC5MH5MA109.5°109.5°
H5MC5MH5MB109.5°109.4°
H5MAC5MH5MB109.5°109.4°
C6C7C8126.2°109.5°
C6C7H7104.2°109.4°
C6C7H7A100.3°109.5°
C8C7H7104.2°109.5°
C8C7H7A100.3°109.5°
C7C8O28116.2°120.0°
C7C8O18121.6°120.0°
H7C7H7A123.8°109.5°
O28C8O18122.1°120.0°
C8O18H20109.5°117.0°
O3PP1O1P104.6°109.5°
O3PP1O2P111.3°109.5°
O3PP1O5S101.1°109.5°
O1PP1O2P122.9°109.4°
O1PP1O5S109.7°109.5°
O2PP1O5S105.3°109.5°
P1O2PH24109.5°114.0°
P1O5SC5S119.1°123.0°
O5SC5SC4S113.7°109.4°
O5SC5SH5S108.1°109.4°
O5SC5SH5SA107.1°109.5°
C4SC5SH5S108.1°109.5°
C4SC5SH5SA107.1°109.5°
C5SC4SC3S126.4°110.4°
C5SC4SO4S118.9°110.4°
C5SC4SH4S47.1°110.4°
H5SC5SH5SA112.9°109.5°
C3SC4SO4S114.6°104.7°
C3SC4SH4S85.1°110.4°
C4SC3SO3S119.4°110.5°
C4SC3SC2S96.4°104.1°
C4SC3SH3S112.9°110.5°
O4SC4SH4S151.5°110.5°
C4SO4SC1S99.6°105.3°
O3SC3SC2S112.2°110.5°
O3SC3SH3S97.4°110.4°
C3SO3SHO3S109.5°114.0°
C2SC3SH3S120.1°110.7°
C3SC2SO2S116.5°110.5°
C3SC2SC1S102.2°104.0°
C3SC2SH2S114.4°110.5°
O2SC2SC1S119.9°110.5°
O2SC2SH2S93.8°110.5°
C2SO2SHO2S109.5°114.0°
C1SC2SH2S110.5°110.7°
C2SC1SO4S114.7°104.8°
C2SC1SN9A124.5°110.3°
C2SC1SH2397.8°110.4°
O4SC1SN9A120.6°110.4°
O4SC1SH23129.8°110.4°
N9AC1SH2348.6°110.4°
C1SN9AC8A118.7°126.2°
C1SN9AC4A130.7°126.3°
C8AN9AC4A110.2°107.5°
N9AC8AN7A110.7°109.8°
N9AC8AH8A124.6°125.1°
N9AC4AC5A104.2°106.1°
N9AC4AN3A132.7°134.2°
N7AC8AH8A124.7°125.1°
C8AN7AC5A104.7°109.3°
N7AC5AC4A110.0°107.2°
N7AC5AC6A133.4°134.2°
C4AC5AC6A116.6°118.6°
C5AC4AN3A122.8°119.6°
C5AC6AO6A123.5°120.8°
C5AC6AN1A119.4°118.4°
C4AN3AC2A118.0°121.1°
O6AC6AN1A117.1°120.8°
C6AN1AC2A121.7°120.3°
C6AN1AHN1A119.1°119.8°
C2AN1AHN1A119.1°119.9°
N1AC2AN3A121.3°121.9°
N1AC2AN2A118.5°119.0°
N3AC2AN2A120.3°119.0°
C2AN2AHN2A110.2°120.0°
C2AN2AHN2B124.9°120.0°
HN2AN2AHN2B124.9°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C2O2C3178.3°180.0°
N1C2C3C3M179.5°179.9°
N1C2C3C40.4°0.0°
C2N1C6C50.6°0.0°
C2N1C6C7178.9°180.0°
N1C2O2H2511.7°90.0°
C6N1C2O2178.2°180.0°
C6N1C2C30.2°0.0°
N1C6C5C41.2°0.0°
N1C6C5C5M179.2°180.0°
N1C6C5C7178.2°180.0°
N1C6C7C8163.4°90.0°
N1C6C7H776.6°150.0°
N1C6C7H7A52.4°30.0°
O2C2C3C3M2.2°0.1°
O2C2C3C4177.9°180.0°
C2C3C3MC4179.9°179.9°
C2C3C3MH3M22.4°90.0°
C2C3C3MH3MA142.4°150.0°
C2C3C3MH3MB97.6°30.1°
C2C3C4C51.0°0.0°
C2C3C4O3P178.5°180.0°
C3C2O2H25170.0°90.0°
C3C3MH3MH3MA120.0°120.0°
C3C3MH3MH3MB120.0°120.1°
C3C3MH3MAH3MB120.0°120.0°
C3MC3C4C5178.9°179.9°
C3MC3C4O3P1.4°0.1°
C4C3C3MH3M157.5°89.9°
C4C3C3MH3MA37.5°30.1°
C4C3C3MH3MB82.5°150.0°
C3C4C5O3P177.4°179.9°
C3C4C5C5M178.9°180.0°
C3C4C5C61.5°0.1°
C3C4O3PP1103.2°90.0°
H3MC3MH3MAH3MB120.0°120.0°
C4C5C5MC6179.6°180.0°
C4C5C5MH5M12.0°90.0°
C4C5C5MH5MA108.0°150.0°
C4C5C5MH5MB132.1°30.0°
C4C5C6C7179.4°180.0°
C5C4O3PP179.3°90.0°
O3PC4C5C5M1.5°0.0°
O3PC4C5C6178.9°180.0°
C4O3PP1O1P142.3°55.0°
C4O3PP1O2P7.6°65.0°
C4O3PP1O5S103.8°175.0°
C5C5MH5MH5MA120.0°120.1°
C5C5MH5MH5MB120.0°120.0°
C5C5MH5MAH5MB120.0°120.0°
C5MC5C6C71.0°0.0°
C6C5C5MH5M167.6°90.0°
C6C5C5MH5MA72.4°30.0°
C6C5C5MH5MB47.6°150.0°
C5C6C7C818.5°90.0°
C5C6C7H7101.5°30.0°
C5C6C7H7A129.4°150.0°
H5MC5MH5MAH5MB120.0°119.9°
C6C7C8H7120.0°120.0°
C6C7C8H7A111.0°120.0°
C6C7H7H7A113.1°120.0°
C6C7C8O2863.2°0.0°
C6C7C8O18119.0°180.0°
C8C7H7H7A113.0°120.0°
C7C8O28O18177.8°180.0°
C7C8O18H20177.7°180.0°
H7C7C8O28176.9°120.0°
H7C7C8O181.0°60.0°
H7AC7C8O2847.8°120.0°
H7AC7C8O18130.0°60.0°
O28C8O18H200.0°0.0°
O3PP1O1PO2P127.9°120.0°
O3PP1O1PO5S107.7°120.0°
O3PP1O2PO5S108.7°120.0°
O3PP1O2PH243.7°60.0°
O3PP1O5SC5S65.7°175.0°
O1PP1O2PO5S126.3°120.0°
O1PP1O2PH24128.7°180.0°
O1PP1O5SC5S44.3°55.0°
O2PP1O5SC5S178.4°65.0°
O5SP1O2PH24105.0°60.0°
P1O5SC5SC4S124.2°180.0°
P1O5SC5SH5S115.8°60.0°
P1O5SC5SH5SA6.1°60.0°
O5SC5SC4SH5S120.0°120.0°
O5SC5SC4SH5SA118.1°120.0°
O5SC5SH5SH5SA118.3°120.0°
O5SC5SC4SC3S39.8°175.1°
O5SC5SC4SO4S143.3°69.7°
O5SC5SC4SH4S5.8°52.7°
C4SC5SH5SH5SA118.2°120.0°
C5SC4SC3SO4S177.1°118.8°
C5SC4SC3SH4S24.3°122.3°
C5SC4SO4SH4S52.3°122.3°
C5SC4SC3SO3S100.6°98.6°
C5SC4SC3SC2S139.4°142.8°
C5SC4SC3SH3S12.9°23.9°
C5SC4SO4SC1S146.4°159.3°
H5SC5SC4SC3S159.8°65.0°
H5SC5SC4SO4S23.3°50.3°
H5SC5SC4SH4S125.8°172.7°
H5SAC5SC4SC3S78.3°55.1°
H5SAC5SC4SO4S98.6°170.3°
H5SAC5SC4SH4S112.3°67.3°
C3SC4SO4SH4S130.4°118.9°
C4SC3SO3SC2S111.6°114.7°
C4SC3SO3SH3S121.6°122.6°
C4SC3SC2SH3S121.2°118.8°
C4SC3SO3SHO3S33.7°180.0°
C4SC3SC2SO2S157.9°118.6°
C4SC3SC2SC1S25.3°0.0°
C4SC3SC2SH2S94.1°118.8°
C3SC4SO4SC1S30.9°40.6°
O4SC4SC3SO3S82.3°142.7°
O4SC4SC3SC2S37.7°24.0°
O4SC4SC3SH3S164.2°94.8°
C4SO4SC1SC2S10.9°40.6°
C4SO4SC1SN9A164.4°159.4°
C4SO4SC1SH23136.2°78.3°
H4SC4SC3SO3S76.4°23.7°
H4SC4SC3SC2S163.7°94.9°
H4SC4SC3SH3S37.2°146.2°
H4SC4SO4SC1S161.4°78.3°
O3SC3SC2SH3S113.4°122.6°
O3SC3SC2SO2S32.5°0.0°
O3SC3SC2SC1S100.1°118.7°
O3SC3SC2SH2S140.4°122.6°
C2SC3SO3SHO3S145.3°65.3°
C3SC2SO2SC1S123.9°114.6°
C3SC2SO2SH2S119.8°122.6°
C3SC2SC1SH2S122.1°118.7°
C3SC2SO2SHO2S30.6°61.5°
C3SC2SC1SO4S11.4°24.0°
C3SC2SC1SN9A173.6°142.8°
C3SC2SC1SH23129.4°94.9°
H3SC3SO3SHO3S87.9°57.4°
H3SC3SC2SO2S80.9°122.6°
H3SC3SC2SC1S146.5°118.7°
H3SC3SC2SH2S27.1°0.0°
O2SC2SC1SH2S107.3°122.7°
O2SC2SC1SO4S141.9°142.6°
O2SC2SC1SN9A43.1°98.6°
O2SC2SC1SH231.2°23.7°
C1SC2SO2SHO2S93.3°176.1°
C2SC1SO4SN9A175.2°118.8°
C2SC1SO4SH23125.3°118.9°
C2SC1SN9AH2367.2°122.3°
C2SC1SN9AC8A59.3°95.0°
C2SC1SN9AC4A128.7°84.7°
H2SC2SO2SHO2S150.3°61.1°
H2SC2SC1SO4S110.8°94.7°
H2SC2SC1SN9A64.2°24.2°
H2SC2SC1SH23108.5°146.4°
O4SC1SN9AH23118.0°122.3°
O4SC1SN9AC8A115.5°20.4°
O4SC1SN9AC4A56.5°159.9°
C1SN9AC8AC4A173.5°179.7°
C1SN9AC8AN7A177.8°180.0°
C1SN9AC8AH8A2.2°0.1°
C1SN9AC4AC5A176.9°179.9°
C1SN9AC4AN3A9.1°0.1°
H23C1SN9AC8A126.5°142.7°
H23C1SN9AC4A61.5°37.6°
N9AC8AN7AH8A180.0°180.0°
N9AC8AN7AC5A2.1°0.0°
C8AN9AC4AC5A4.3°0.4°
C8AN9AC4AN3A178.4°179.8°
C4AN9AC8AN7A4.3°0.3°
C4AN9AC8AH8A175.8°179.8°
N9AC4AC5AN7A3.0°0.4°
N9AC4AC5AN3A174.8°179.8°
N9AC4AC5AC6A178.8°179.8°
N9AC4AN3AC2A177.4°179.1°
C8AN7AC5AC4A0.6°0.3°
C8AN7AC5AC6A178.3°180.0°
H8AC8AN7AC5A177.9°179.9°
N7AC5AC4AC6A178.2°179.8°
N7AC5AC4AN3A177.9°179.8°
N7AC5AC6AO6A1.9°0.0°
N7AC5AC6AN1A179.3°180.0°
C4AC5AC6AO6A179.5°179.7°
C4AC5AC6AN1A1.7°0.3°
C5AC4AN3AC2A4.2°0.6°
C6AC5AC4AN3A4.0°0.0°
C5AC6AO6AN1A178.8°180.0°
C5AC6AN1AC2A0.3°0.0°
C5AC6AN1AHN1A179.7°180.0°
C4AN3AC2AN1A2.1°0.9°
C4AN3AC2AN2A178.4°179.7°
O6AC6AN1AC2A178.6°180.0°
O6AC6AN1AHN1A1.4°0.0°
C6AN1AC2AHN1A180.0°180.0°
C6AN1AC2AN3A0.1°0.6°
C6AN1AC2AN2A179.4°180.0°
N1AC2AN3AN2A179.4°179.4°
N1AC2AN2AHN2A0.3°0.0°
N1AC2AN2AHN2B179.8°179.9°
HN1AN1AC2AN3A179.9°179.4°
HN1AN1AC2AN2A0.6°0.0°
N3AC2AN2AHN2A179.7°179.5°
N3AC2AN2AHN2B0.3°0.6°
C2AN2AHN2AHN2B180.0°179.9°

222624

PDB entries from 2024-07-17

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