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GEQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1AC2Adoub1.39Å1.43ÅAromatic
C1AC6Asing1.39Å1.41ÅAromatic
C1AH1Asing1.08Å1.10Å
C2AC3Asing1.40Å1.43ÅAromatic
C2AC1Bsing1.48Å1.53Å
C3AC4Adoub1.36Å1.41ÅAromatic
C3AH3Asing1.08Å1.10Å
C4AC5Asing1.39Å1.41ÅAromatic
C4AH4Asing1.08Å1.10Å
C5AC6Adoub1.41Å1.41ÅAromatic
C5AN9Asing1.37Å1.34ÅAromatic
C6AC7Asing1.47Å1.39ÅAromatic
C7AC8Adoub1.34Å1.40ÅAromatic
C7AH7Asing1.08Å1.10Å
C8AN9Asing1.37Å1.35ÅAromatic
C8AH8Asing1.08Å1.10Å
N9AH9Asing0.97Å1.02Å
C1BO2Bdoub1.22Å1.23Å
C1BN1Csing1.35Å1.40Å
N1CC2Csing1.47Å1.47Å
N1CC6Csing1.47Å1.48Å
C2CC3Csing1.53Å1.54Å
C2CH2C1sing1.09Å1.12Å
C2CH2C2sing1.09Å1.11Å
C3CN4Csing1.47Å1.52Å
C3CH3C1sing1.09Å1.12Å
C3CH3C2sing1.09Å1.11Å
N4CC5Csing1.47Å1.52Å
N4CC1Dsing1.47Å1.53Å
C5CC6Csing1.53Å1.57Å
C5CH5C1sing1.09Å1.11Å
C5CH5C2sing1.09Å1.11Å
C6CH6C1sing1.09Å1.11Å
C6CH6C2sing1.09Å1.12Å
C1DC1Esing1.51Å1.53Å
C1DC1Fsing1.51Å1.56Å
C1DH1Dsing1.09Å1.12Å
C1EC2Edoub1.38Å1.42ÅAromatic
C1EC6Esing1.39Å1.42ÅAromatic
C2EC3Esing1.38Å1.43ÅAromatic
C2EH2Esing1.08Å1.10Å
C3EC4Edoub1.38Å1.43ÅAromatic
C3EH3Esing1.08Å1.10Å
C4EC5Esing1.38Å1.42ÅAromatic
C4EH4Esing1.08Å1.10Å
C5EC6Edoub1.40Å1.43ÅAromatic
C5EH5Esing1.08Å1.10Å
C6EC6Fsing1.48Å1.40ÅAromatic
C1FC2Fdoub1.38Å1.44ÅAromatic
C1FC6Fsing1.39Å1.42ÅAromatic
C2FC3Fsing1.38Å1.43ÅAromatic
C2FH2Fsing1.08Å1.10Å
C3FC4Fdoub1.38Å1.43ÅAromatic
C3FH3Fsing1.08Å1.10Å
C4FC5Fsing1.38Å1.43ÅAromatic
C4FH4Fsing1.08Å1.10Å
C5FC6Fdoub1.40Å1.43ÅAromatic
C5FH5Fsing1.08Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2AC1AC6A117.9°119.4°
C2AC1AH1A121.7°120.3°
C1AC2AC3A120.3°120.1°
C1AC2AC1B117.8°120.0°
C6AC1AH1A120.4°120.3°
C1AC6AC5A120.9°120.0°
C1AC6AC7A132.6°134.0°
C3AC2AC1B121.9°120.0°
C2AC3AC4A121.4°120.7°
C2AC3AH3A120.0°119.7°
C2AC1BO2B114.2°120.0°
C2AC1BN1C124.1°120.0°
C4AC3AH3A118.6°119.7°
C3AC4AC5A117.1°120.2°
C3AC4AH4A121.4°119.9°
C5AC4AH4A121.4°119.9°
C4AC5AC6A122.4°119.7°
C4AC5AN9A127.9°133.2°
C6AC5AN9A109.7°107.1°
C5AC6AC7A106.5°106.0°
C5AN9AC8A107.9°109.9°
C5AN9AH9A125.7°125.0°
C6AC7AC8A106.0°106.9°
C6AC7AH7A126.6°126.5°
C8AC7AH7A127.4°126.5°
C7AC8AN9A109.9°110.0°
C7AC8AH8A126.6°125.0°
N9AC8AH8A123.6°125.0°
C8AN9AH9A126.3°125.0°
O2BC1BN1C121.7°120.0°
C1BN1CC2C118.4°121.1°
C1BN1CC6C121.9°121.0°
C2CN1CC6C119.3°117.9°
N1CC2CC3C109.2°108.3°
N1CC2CH2C1112.3°109.7°
N1CC2CH2C2112.3°109.7°
N1CC6CC5C112.7°108.7°
N1CC6CH6C1111.0°109.8°
N1CC6CH6C2111.0°109.4°
C3CC2CH2C1112.3°109.7°
C3CC2CH2C2112.3°109.7°
C2CC3CN4C111.6°109.6°
C2CC3CH3C1111.4°109.4°
C2CC3CH3C2111.4°109.4°
H2C1C2CH2C298.2°109.7°
N4CC3CH3C1111.4°109.5°
N4CC3CH3C2111.4°109.5°
C3CN4CC5C114.6°107.4°
C3CN4CC1D113.7°106.7°
H3C1C3CH3C299.0°109.5°
C5CN4CC1D110.1°106.7°
N4CC5CC6C113.9°109.6°
N4CC5CH5C1110.6°109.4°
N4CC5CH5C2110.6°109.4°
N4CC1DC1E110.8°110.1°
N4CC1DC1F120.1°110.2°
N4CC1DH1D98.1°110.1°
C6CC5CH5C1110.6°109.6°
C6CC5CH5C2110.6°109.3°
C5CC6CH6C1111.0°109.6°
C5CC6CH6C2111.0°109.7°
H5C1C5CH5C299.7°109.5°
H6C1C6CH6C299.3°109.7°
C1EC1DC1F97.5°106.1°
C1EC1DH1D120.5°110.2°
C1DC1EC2E127.1°132.2°
C1DC1EC6E112.5°107.5°
C1FC1DH1D111.3°110.2°
C1DC1FC2F128.6°132.2°
C1DC1FC6F111.8°107.5°
C2EC1EC6E120.4°120.3°
C1EC2EC3E118.8°120.0°
C1EC2EH2E120.5°120.0°
C1EC6EC5E121.2°119.4°
C1EC6EC6F109.1°109.5°
C3EC2EH2E120.7°120.0°
C2EC3EC4E120.5°120.1°
C2EC3EH3E119.8°119.9°
C4EC3EH3E119.7°119.9°
C3EC4EC5E120.9°120.2°
C3EC4EH4E119.6°119.9°
C5EC4EH4E119.4°119.9°
C4EC5EC6E118.2°120.0°
C4EC5EH5E120.8°120.0°
C6EC5EH5E121.0°120.0°
C5EC6EC6F129.7°131.2°
C6EC6FC1F109.1°109.4°
C6EC6FC5F129.5°131.2°
C2FC1FC6F119.6°120.3°
C1FC2FC3F119.2°120.0°
C1FC2FH2F120.7°120.0°
C1FC6FC5F121.4°119.4°
C3FC2FH2F120.1°120.0°
C2FC3FC4F120.8°120.1°
C2FC3FH3F119.7°120.0°
C4FC3FH3F119.5°119.9°
C3FC4FC5F120.3°120.2°
C3FC4FH4F119.8°119.9°
C5FC4FH4F119.9°119.9°
C4FC5FC6F118.7°119.9°
C4FC5FH5F120.5°120.0°
C6FC5FH5F120.8°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2AC1AC6AH1A180.0°179.8°
C1AC2AC3AC1B179.7°179.7°
C1AC2AC3AC4A0.2°0.3°
C1AC2AC3AH3A179.8°179.7°
C2AC1AC6AC5A0.2°0.5°
C2AC1AC6AC7A179.8°179.8°
C1AC2AC1BO2B64.3°143.5°
C1AC2AC1BN1C115.7°36.7°
C6AC1AC2AC3A0.0°0.6°
C6AC1AC2AC1B179.7°179.8°
C1AC6AC5AC4A0.1°0.2°
C1AC6AC5AC7A180.0°179.8°
C1AC6AC5AN9A180.0°179.8°
C1AC6AC7AC8A180.0°179.7°
C1AC6AC7AH7A0.0°0.3°
H1AC1AC2AC3A180.0°179.6°
H1AC1AC2AC1B0.3°0.0°
H1AC1AC6AC5A179.8°179.7°
H1AC1AC6AC7A0.2°0.0°
C2AC3AC4AH3A180.0°180.0°
C2AC3AC4AC5A0.3°0.0°
C2AC3AC4AH4A179.7°179.9°
C3AC2AC1BO2B115.4°36.1°
C3AC2AC1BN1C64.6°143.6°
C1BC2AC3AC4A179.9°180.0°
C1BC2AC3AH3A0.1°0.0°
C2AC1BO2BN1C179.9°179.7°
C2AC1BN1CC2C171.5°173.6°
C2AC1BN1CC6C1.3°6.7°
C3AC4AC5AH4A180.0°180.0°
C3AC4AC5AC6A0.1°0.0°
C3AC4AC5AN9A179.8°180.0°
H3AC3AC4AC5A179.8°180.0°
H3AC3AC4AH4A0.3°0.0°
C4AC5AC6AN9A179.9°180.0°
C4AC5AC6AC7A179.9°180.0°
C4AC5AN9AC8A179.9°180.0°
C4AC5AN9AH9A0.1°0.0°
H4AC4AC5AC6A179.9°180.0°
H4AC4AC5AN9A0.2°0.0°
C5AC6AC7AC8A0.0°0.0°
C5AC6AC7AH7A180.0°180.0°
C6AC5AN9AC8A0.0°0.0°
C6AC5AN9AH9A180.0°180.0°
N9AC5AC6AC7A0.0°0.0°
C5AN9AC8AC7A0.0°0.0°
C5AN9AC8AH9A180.0°180.0°
C5AN9AC8AH8A180.0°180.0°
C6AC7AC8AH7A180.0°180.0°
C6AC7AC8AN9A0.0°0.0°
C6AC7AC8AH8A180.0°180.0°
C7AC8AN9AH8A180.0°180.0°
C7AC8AN9AH9A180.0°180.0°
H7AC7AC8AN9A180.0°180.0°
H7AC7AC8AH8A0.0°0.0°
H8AC8AN9AH9A0.0°0.0°
O2BC1BN1CC2C8.6°6.7°
O2BC1BN1CC6C178.6°173.1°
C1BN1CC2CC6C173.0°179.8°
C1BN1CC2CC3C150.7°131.0°
C1BN1CC2CH2C184.1°109.3°
C1BN1CC2CH2C225.5°11.3°
C1BN1CC6CC5C156.3°131.0°
C1BN1CC6CH6C178.4°11.2°
C1BN1CC6CH6C231.1°109.3°
N1CC2CC3CH2C1125.2°119.8°
N1CC2CC3CH2C2125.2°119.7°
N1CC2CH2C1H2C2118.2°120.6°
N1CC2CC3CN4C62.3°56.0°
N1CC2CC3CH3C1172.5°176.0°
N1CC2CC3CH3C263.0°64.1°
C2CN1CC6CC5C16.4°48.7°
C2CN1CC6CH6C1108.8°168.6°
C2CN1CC6CH6C2141.7°71.0°
C6CN1CC2CC3C36.3°48.8°
C6CN1CC2CH2C189.0°70.9°
C6CN1CC2CH2C2161.5°168.4°
N1CC6CC5CN4C46.7°55.7°
N1CC6CC5CH6C1125.3°120.0°
N1CC6CC5CH6C2125.3°119.5°
N1CC6CC5CH5C178.5°175.8°
N1CC6CC5CH5C2172.0°64.2°
N1CC6CH6C1H6C2116.9°120.2°
C3CC2CH2C1H2C2118.3°120.5°
C2CC3CN4CH3C1125.3°119.9°
C2CC3CN4CH3C2125.2°120.1°
C2CC3CH3C1H3C2117.3°119.9°
C2CC3CN4CC5C32.4°66.9°
C2CC3CN4CC1D160.2°179.0°
H2C1C2CC3CN4C63.0°63.7°
H2C1C2CC3CH3C162.3°56.3°
H2C1C2CC3CH3C2171.8°176.2°
H2C2C2CC3CN4C172.5°175.7°
H2C2C2CC3CH3C147.2°64.3°
H2C2C2CC3CH3C262.3°55.6°
N4CC3CH3C1H3C2117.3°120.0°
C3CN4CC5CC1D129.6°114.1°
C3CN4CC5CC6C20.7°66.7°
C3CN4CC5CH5C1104.5°173.1°
C3CN4CC5CH5C2146.0°53.1°
C3CN4CC1DC1E59.5°170.7°
C3CN4CC1DC1F53.0°72.6°
C3CN4CC1DH1D173.5°49.0°
H3C1C3CN4CC5C157.6°173.2°
H3C1C3CN4CC1D74.5°59.1°
H3C2C3CN4CC5C92.9°53.1°
H3C2C3CN4CC1D35.0°61.0°
N4CC5CC6CH5C1125.3°120.1°
N4CC5CC6CH5C2125.2°119.9°
N4CC5CH5C1H5C2116.4°119.9°
N4CC5CC6CH6C178.6°175.7°
N4CC5CC6CH6C2172.0°63.8°
C5CN4CC1DC1E170.4°74.7°
C5CN4CC1DC1F77.1°41.9°
C5CN4CC1DH1D43.3°163.6°
C1DN4CC5CC6C108.9°179.2°
C1DN4CC5CH5C1125.8°59.0°
C1DN4CC5CH5C216.3°61.0°
N4CC1DC1EC1F126.3°119.2°
N4CC1DC1EH1D113.5°121.6°
N4CC1DC1FH1D113.6°121.7°
N4CC1DC1EC2E53.9°60.8°
N4CC1DC1EC6E126.0°119.2°
N4CC1DC1FC2F61.0°60.8°
N4CC1DC1FC6F119.1°119.1°
C6CC5CH5C1H5C2116.5°119.8°
C5CC6CH6C1H6C2116.9°120.5°
H5C1C5CC6CH6C1156.2°64.2°
H5C1C5CC6CH6C246.7°56.3°
H5C2C5CC6CH6C146.7°55.8°
H5C2C5CC6CH6C262.8°176.3°
C1EC1DC1FH1D126.9°119.2°
C1DC1EC2EC6E179.9°180.0°
C1DC1EC2EC3E179.9°180.0°
C1DC1EC2EH2E0.1°0.0°
C1DC1EC6EC5E179.9°180.0°
C1DC1EC6EC6F0.2°0.0°
C1EC1DC1FC2F179.6°180.0°
C1EC1DC1FC6F0.3°0.0°
C1FC1DC1EC2E179.8°180.0°
C1FC1DC1EC6E0.3°0.0°
C1DC1FC6FC6E0.2°0.0°
C1DC1FC2FC6F179.9°179.9°
C1DC1FC2FC3F179.9°180.0°
C1DC1FC2FH2F0.0°0.1°
C1DC1FC6FC5F179.9°180.0°
H1DC1DC1EC2E59.6°60.8°
H1DC1DC1EC6E120.5°119.2°
H1DC1DC1FC2F52.6°60.8°
H1DC1DC1FC6F127.2°119.2°
C1EC2EC3EH2E180.0°180.0°
C1EC2EC3EC4E0.0°0.0°
C1EC2EC3EH3E180.0°180.0°
C2EC1EC6EC5E0.1°0.0°
C2EC1EC6EC6F179.9°180.0°
C6EC1EC2EC3E0.1°0.0°
C6EC1EC2EH2E179.9°180.0°
C1EC6EC5EC4E0.0°0.1°
C1EC6EC5EC6F179.9°180.0°
C1EC6EC5EH5E180.0°180.0°
C1EC6EC6FC1F0.0°0.0°
C1EC6EC6FC5F179.9°180.0°
C2EC3EC4EH3E180.0°180.0°
C2EC3EC4EC5E0.1°0.1°
C2EC3EC4EH4E179.9°180.0°
H2EC2EC3EC4E180.0°179.9°
H2EC2EC3EH3E0.0°0.1°
C3EC4EC5EH4E180.0°179.9°
C3EC4EC5EC6E0.1°0.1°
C3EC4EC5EH5E179.9°180.0°
H3EC3EC4EC5E179.9°179.9°
H3EC3EC4EH4E0.1°0.0°
C4EC5EC6EH5E180.0°179.9°
C4EC5EC6EC6F180.0°180.0°
H4EC4EC5EC6E179.9°180.0°
H4EC4EC5EH5E0.1°0.1°
C5EC6EC6FC1F179.9°180.0°
C5EC6EC6FC5F0.1°0.0°
H5EC5EC6EC6F0.0°0.0°
C6EC6FC1FC2F179.7°180.0°
C6EC6FC1FC5F179.9°180.0°
C6EC6FC5FC4F179.6°179.9°
C6EC6FC5FH5F0.4°0.1°
C1FC2FC3FH2F180.0°179.9°
C1FC2FC3FC4F0.1°0.0°
C1FC2FC3FH3F179.9°179.9°
C2FC1FC6FC5F0.2°0.0°
C6FC1FC2FC3F0.1°0.1°
C6FC1FC2FH2F179.9°180.0°
C1FC6FC5FC4F0.2°0.1°
C1FC6FC5FH5F179.8°179.9°
C2FC3FC4FH3F180.0°179.9°
C2FC3FC4FC5F0.1°0.1°
C2FC3FC4FH4F179.9°180.0°
H2FC2FC3FC4F179.9°179.9°
H2FC2FC3FH3F0.1°0.0°
C3FC4FC5FH4F180.0°179.9°
C3FC4FC5FC6F0.0°0.2°
C3FC4FC5FH5F179.9°180.0°
H3FC3FC4FC5F179.9°180.0°
H3FC3FC4FH4F0.1°0.1°
C4FC5FC6FH5F180.0°179.8°
H4FC4FC5FC6F179.9°180.0°
H4FC4FC5FH5F0.1°0.2°

223790

PDB entries from 2024-08-14

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