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NPJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1AC2Asing1.53Å1.55Å
C1AO1Asing1.43Å1.44Å
C1AO5Asing1.43Å1.48Å
C1AH1Asing1.09Å1.10Å
C2AC3Asing1.53Å1.56Å
C2AO2Asing1.43Å1.43Å
C2AH2Asing1.09Å1.10Å
C3AC4Asing1.53Å1.54Å
C3AO3Asing1.43Å1.43Å
C3AH3Asing1.09Å1.10Å
C4AC5Asing1.53Å1.56Å
C4AO4Asing1.43Å1.45Å
C4AH4Asing1.09Å1.10Å
C5AC6Asing1.53Å1.53Å
C5AO5Asing1.43Å1.48Å
C5AH5Asing1.09Å1.10Å
C6AO6Asing1.43Å1.43Å
C6AH6A1sing1.09Å1.10Å
C6AH6A2sing1.09Å1.10Å
O1AC4Bsing1.43Å1.53Å
O2AHO2Asing0.97Å0.95Å
O3AHO3Asing0.97Å0.95Å
O4AHO4Asing0.97Å0.95Å
O6AHO6Asing0.97Å0.95Å
C1BC2Bsing1.53Å1.54Å
C1BO1Bsing1.43Å1.44Å
C1BO5Bsing1.43Å1.46Å
C1BH1Bsing1.09Å1.10Å
C2BC3Bsing1.53Å1.53Å
C2BO2Bsing1.43Å1.43Å
C2BH2Bsing1.09Å1.10Å
C3BC4Bsing1.53Å1.55Å
C3BO3Bsing1.43Å1.44Å
C3BH3Bsing1.09Å1.10Å
C4BC5Bsing1.53Å1.55Å
C4BH4Bsing1.09Å1.10Å
C5BC6Bsing1.53Å1.53Å
C5BO5Bsing1.43Å1.46Å
C5BH5Bsing1.09Å1.10Å
C6BO6Bsing1.43Å1.43Å
C6BH6B1sing1.09Å1.10Å
C6BH6B2sing1.09Å1.10Å
O1BC4Csing1.36Å1.44Å
O2BHO2Bsing0.97Å0.95Å
O3BHO3Bsing0.97Å0.95Å
O6BHO6Bsing0.97Å0.95Å
C1CC2Cdoub1.38Å1.44ÅAromatic
C1CC6Csing1.38Å1.45ÅAromatic
C1CN1Csing1.48Å1.36Å
C2CC3Csing1.38Å1.38ÅAromatic
C2CH2Csing1.08Å1.08Å
C3CC4Cdoub1.39Å1.42ÅAromatic
C3CH3Csing1.08Å1.08Å
C4CC5Csing1.39Å1.42ÅAromatic
C5CC6Cdoub1.38Å1.40ÅAromatic
C5CH5Csing1.08Å1.08Å
C6CH6Csing1.08Å1.08Å
N1CO2Csing1.22Å1.22Å
N1CO3Cdoub1.22Å1.22Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2AC1AO1A107.7°109.3°
C2AC1AO5A109.1°109.8°
C2AC1AH1A111.3°109.4°
C1AC2AC3A108.4°109.0°
C1AC2AO2A108.7°109.6°
C1AC2AH2A110.8°109.5°
O1AC1AO5A110.9°109.4°
O1AC1AH1A109.7°109.4°
C1AO1AC4B113.6°106.8°
O5AC1AH1A108.2°109.4°
C1AO5AC5A111.9°107.6°
C3AC2AO2A109.8°109.6°
C3AC2AH2A109.7°109.5°
C2AC3AC4A108.1°108.6°
C2AC3AO3A110.0°109.6°
C2AC3AH3A109.8°109.6°
O2AC2AH2A109.5°109.6°
C2AO2AHO2A109.5°106.8°
C4AC3AO3A108.7°109.7°
C4AC3AH3A111.0°109.6°
C3AC4AC5A108.0°109.0°
C3AC4AO4A109.0°109.5°
C3AC4AH4A111.0°109.5°
O3AC3AH3A109.2°109.6°
C3AO3AHO3A109.5°106.8°
C5AC4AO4A110.1°109.5°
C5AC4AH4A109.9°109.6°
C4AC5AC6A109.3°109.4°
C4AC5AO5A109.9°109.8°
C4AC5AH5A109.1°109.4°
O4AC4AH4A108.9°109.6°
C4AO4AHO4A109.5°106.8°
C6AC5AO5A108.8°109.4°
C6AC5AH5A110.2°109.4°
C5AC6AO6A108.8°109.5°
C5AC6AH6A1109.7°109.4°
C5AC6AH6A2109.8°109.5°
O5AC5AH5A109.5°109.4°
O6AC6AH6A1109.7°109.5°
O6AC6AH6A2109.8°109.5°
C6AO6AHO6A109.5°106.8°
H6A1C6AH6A2109.0°109.5°
O1AC4BC3B108.4°109.5°
O1AC4BC5B111.8°109.6°
O1AC4BH4B108.1°109.6°
C2BC1BO1B111.3°109.4°
C2BC1BO5B110.4°109.8°
C2BC1BH1B107.7°109.4°
C1BC2BC3B109.0°109.0°
C1BC2BO2B109.8°109.6°
C1BC2BH2B109.7°109.5°
O1BC1BO5B109.9°109.4°
O1BC1BH1B108.3°109.4°
C1BO1BC4C138.0°106.8°
O5BC1BH1B109.2°109.5°
C1BO5BC5B111.2°107.7°
C3BC2BO2B109.8°109.5°
C3BC2BH2B109.6°109.5°
C2BC3BC4B108.4°108.6°
C2BC3BO3B109.6°109.7°
C2BC3BH3B110.4°109.6°
O2BC2BH2B108.9°109.6°
C2BO2BHO2B109.5°106.9°
C4BC3BO3B110.3°109.6°
C4BC3BH3B109.7°109.6°
C3BC4BC5B107.8°109.1°
C3BC4BH4B112.1°109.5°
O3BC3BH3B108.5°109.6°
C3BO3BHO3B109.5°106.8°
C5BC4BH4B108.7°109.5°
C4BC5BC6B109.0°109.5°
C4BC5BO5B110.1°109.8°
C4BC5BH5B109.2°109.3°
C6BC5BO5B108.9°109.4°
C6BC5BH5B110.4°109.4°
C5BC6BO6B109.5°109.5°
C5BC6BH6B1109.4°109.5°
C5BC6BH6B2109.4°109.4°
O5BC5BH5B109.3°109.4°
O6BC6BH6B1109.4°109.5°
O6BC6BH6B2109.4°109.4°
C6BO6BHO6B109.5°106.8°
H6B1C6BH6B2109.5°109.5°
O1BC4CC3C118.2°120.1°
O1BC4CC5C121.2°120.1°
C2CC1CC6C118.9°120.1°
C2CC1CN1C119.7°119.9°
C1CC2CC3C120.1°120.1°
C1CC2CH2C120.0°119.9°
C6CC1CN1C121.3°120.0°
C1CC6CC5C120.1°120.0°
C1CC6CH6C120.0°119.9°
C1CN1CO2C120.9°120.0°
C1CN1CO3C120.2°120.0°
C3CC2CH2C119.9°120.0°
C2CC3CC4C120.5°120.0°
C2CC3CH3C119.7°120.0°
C4CC3CH3C119.7°120.0°
C3CC4CC5C120.6°119.9°
C4CC5CC6C119.8°120.0°
C4CC5CH5C120.1°120.0°
C6CC5CH5C120.1°120.0°
C5CC6CH6C119.9°120.0°
O2CN1CO3C118.9°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2AC1AO1AO5A119.3°120.3°
C2AC1AO1AH1A121.3°119.8°
C2AC1AO5AH1A121.3°120.1°
C1AC2AC3AO2A118.6°119.9°
C1AC2AC3AH2A121.1°119.8°
C1AC2AO2AH2A121.1°120.2°
C1AC2AC3AC4A61.3°53.7°
C1AC2AC3AO3A179.9°173.6°
C1AC2AC3AH3A60.0°66.0°
C2AC1AO5AC5A60.7°67.5°
C2AC1AO1AC4B141.3°164.4°
C1AC2AO2AHO2A21.1°60.0°
O1AC1AO5AH1A120.3°119.9°
O1AC1AC2AC3A60.2°58.9°
O1AC1AC2AO2A59.0°61.1°
O1AC1AC2AH2A179.3°178.6°
O1AC1AO5AC5A57.7°52.5°
C1AO1AC4BC3B98.5°84.3°
C1AO1AC4BC5B142.8°156.1°
C1AO1AC4BH4B23.2°35.9°
O5AC1AC2AC3A60.2°61.2°
O5AC1AC2AO2A179.4°178.8°
O5AC1AC2AH2A60.2°58.6°
C1AO5AC5AC4A60.6°67.6°
C1AO5AC5AC6A179.7°172.3°
C1AO5AC5AH5A59.2°52.5°
O5AC1AO1AC4B99.4°75.2°
H1AC1AC2AC3A179.5°178.7°
H1AC1AC2AO2A61.2°58.7°
H1AC1AC2AH2A59.1°61.5°
H1AC1AO5AC5A178.0°172.3°
H1AC1AO1AC4B20.0°44.6°
C3AC2AO2AH2A120.5°120.2°
C2AC3AC4AO3A119.4°119.8°
C2AC3AC4AH3A120.5°119.7°
C2AC3AO3AH3A120.5°120.4°
C2AC3AC4AC5A60.5°53.8°
C2AC3AC4AO4A179.9°173.6°
C2AC3AC4AH4A60.0°66.2°
C3AC2AO2AHO2A139.5°179.6°
C2AC3AO3AHO3A70.7°60.0°
O2AC2AC3AC4A179.8°173.7°
O2AC2AC3AO3A61.6°66.5°
O2AC2AC3AH3A58.6°53.9°
H2AC2AC3AC4A59.8°66.1°
H2AC2AC3AO3A58.8°53.8°
H2AC2AC3AH3A178.9°174.2°
H2AC2AO2AHO2A100.1°60.2°
C4AC3AO3AH3A121.3°120.4°
C3AC4AC5AO4A118.8°119.8°
C3AC4AC5AH4A121.2°119.9°
C3AC4AO4AH4A121.2°120.2°
C3AC4AC5AC6A179.3°178.6°
C3AC4AC5AO5A60.0°61.4°
C3AC4AC5AH5A60.2°58.7°
C4AC3AO3AHO3A171.0°179.2°
C3AC4AO4AHO4A3.4°60.0°
O3AC3AC4AC5A179.9°173.6°
O3AC3AC4AO4A60.6°66.6°
O3AC3AC4AH4A59.4°53.6°
H3AC3AC4AC5A60.0°65.9°
H3AC3AC4AO4A59.6°53.9°
H3AC3AC4AH4A179.5°174.1°
H3AC3AO3AHO3A49.8°60.3°
C5AC4AO4AH4A120.6°120.3°
C4AC5AC6AO5A120.1°120.3°
C4AC5AC6AH5A119.9°119.8°
C4AC5AO5AH5A119.9°120.1°
C4AC5AC6AO6A177.7°174.9°
C4AC5AC6AH6A162.3°65.1°
C4AC5AC6AH6A257.5°54.8°
C5AC4AO4AHO4A114.9°179.5°
O4AC4AC5AC6A61.9°58.7°
O4AC4AC5AO5A178.8°178.8°
O4AC4AC5AH5A58.7°61.1°
H4AC4AC5AC6A58.1°61.5°
H4AC4AC5AO5A61.2°58.5°
H4AC4AC5AH5A178.6°178.6°
H4AC4AO4AHO4A124.6°60.1°
C6AC5AO5AH5A120.5°119.9°
C5AC6AO6AH6A1120.0°119.9°
C5AC6AO6AH6A2120.3°120.0°
C5AC6AH6A1H6A2120.3°120.0°
C5AC6AO6AHO6A170.6°180.0°
O5AC5AC6AO6A57.7°64.9°
O5AC5AC6AH6A1177.7°55.1°
O5AC5AC6AH6A262.6°175.1°
H5AC5AC6AO6A62.4°55.0°
H5AC5AC6AH6A157.6°175.0°
H5AC5AC6AH6A2177.4°65.0°
O6AC6AH6A1H6A2120.2°120.1°
H6A1C6AO6AHO6A69.4°60.1°
H6A2C6AO6AHO6A50.3°60.0°
O1AC4BC3BC2B179.4°173.6°
O1AC4BC3BC5B121.2°119.9°
O1AC4BC3BH4B119.2°120.2°
O1AC4BC3BO3B59.4°66.5°
O1AC4BC3BH3B60.0°53.8°
O1AC4BC5BH4B119.3°120.2°
O1AC4BC5BC6B61.1°58.8°
O1AC4BC5BO5B179.5°179.0°
O1AC4BC5BH5B59.5°60.9°
C2BC1BO1BO5B122.6°120.3°
C2BC1BO1BH1B118.2°119.9°
C2BC1BO5BH1B118.3°120.1°
C1BC2BC3BO2B120.3°119.9°
C1BC2BC3BH2B120.1°119.9°
C1BC2BO2BH2B120.1°120.2°
C1BC2BC3BC4B59.0°53.7°
C1BC2BC3BO3B179.4°173.5°
C1BC2BC3BH3B61.1°66.0°
C2BC1BO5BC5B60.5°67.5°
C2BC1BO1BC4C158.7°169.2°
C1BC2BO2BHO2B155.9°60.4°
O1BC1BO5BH1B118.6°119.8°
O1BC1BC2BC3B63.2°58.8°
O1BC1BC2BO2B57.1°61.1°
O1BC1BC2BH2B176.7°178.6°
O1BC1BO5BC5B62.7°52.5°
C1BO1BC4CC3C22.1°0.9°
C1BO1BC4CC5C157.7°179.3°
O5BC1BC2BC3B59.1°61.2°
O5BC1BC2BO2B179.4°178.9°
O5BC1BC2BH2B61.0°58.6°
C1BO5BC5BC4B61.4°67.5°
C1BO5BC5BC6B179.1°172.3°
C1BO5BC5BH5B58.5°52.5°
O5BC1BO1BC4C78.7°70.5°
H1BC1BC2BC3B178.2°178.6°
H1BC1BC2BO2B61.4°58.7°
H1BC1BC2BH2B58.2°61.5°
H1BC1BO5BC5B178.7°172.3°
H1BC1BO1BC4C40.5°49.3°
C3BC2BO2BH2B120.1°120.2°
C2BC3BC4BO3B120.0°119.9°
C2BC3BC4BH3B120.6°119.7°
C2BC3BO3BH3B120.6°120.4°
C2BC3BC4BC5B59.4°53.7°
C2BC3BC4BH4B60.2°66.2°
C3BC2BO2BHO2B84.3°180.0°
C2BC3BO3BHO3B90.6°60.8°
O2BC2BC3BC4B179.3°173.7°
O2BC2BC3BO3B60.3°66.5°
O2BC2BC3BH3B59.2°53.9°
H2BC2BC3BC4B61.1°66.1°
H2BC2BC3BO3B59.4°53.7°
H2BC2BC3BH3B178.8°174.1°
H2BC2BO2BHO2B35.8°59.8°
C4BC3BO3BH3B120.2°120.4°
C3BC4BC5BH4B121.7°119.9°
C3BC4BC5BC6B179.9°178.7°
C3BC4BC5BO5B60.5°61.1°
C3BC4BC5BH5B59.5°59.0°
C4BC3BO3BHO3B28.7°180.0°
O3BC3BC4BC5B179.4°173.6°
O3BC3BC4BH4B59.8°53.7°
H3BC3BC4BC5B61.2°66.1°
H3BC3BC4BH4B179.2°174.0°
H3BC3BO3BHO3B148.9°59.7°
C4BC5BC6BO5B120.1°120.4°
C4BC5BC6BH5B119.9°119.7°
C4BC5BO5BH5B119.9°120.0°
C4BC5BC6BO6B179.7°175.4°
C4BC5BC6BH6B159.7°55.3°
C4BC5BC6BH6B260.3°64.7°
H4BC4BC5BC6B58.2°61.4°
H4BC4BC5BO5B61.2°58.8°
H4BC4BC5BH5B178.8°178.8°
C6BC5BO5BH5B120.6°119.8°
C5BC6BO6BH6B1120.0°120.0°
C5BC6BO6BH6B2120.0°120.0°
C5BC6BH6B1H6B2120.0°120.0°
C5BC6BO6BHO6B28.3°180.0°
O5BC5BC6BO6B60.2°64.2°
O5BC5BC6BH6B1179.8°175.8°
O5BC5BC6BH6B259.8°55.7°
H5BC5BC6BO6B59.8°55.6°
H5BC5BC6BH6B160.2°64.4°
H5BC5BC6BH6B2179.8°175.6°
O6BC6BH6B1H6B2120.0°120.0°
H6B1C6BO6BHO6B91.7°60.0°
H6B2C6BO6BHO6B148.3°60.0°
O1BC4CC3CC2C179.7°180.0°
O1BC4CC3CC5C179.8°179.7°
O1BC4CC3CH3C0.3°0.0°
O1BC4CC5CC6C179.7°179.8°
O1BC4CC5CH5C0.3°0.3°
C2CC1CC6CN1C179.9°180.0°
C1CC2CC3CH2C180.0°180.0°
C1CC2CC3CC4C0.0°0.0°
C1CC2CC3CH3C180.0°180.0°
C2CC1CC6CC5C0.1°0.2°
C2CC1CC6CH6C179.9°179.9°
C2CC1CN1CO2C180.0°0.1°
C2CC1CN1CO3C0.0°180.0°
C6CC1CC2CC3C0.1°0.0°
C6CC1CC2CH2C180.0°180.0°
C1CC6CC5CC4C0.0°0.5°
C1CC6CC5CH6C180.0°179.8°
C1CC6CC5CH5C180.0°180.0°
C6CC1CN1CO2C0.0°180.0°
C6CC1CN1CO3C179.9°0.1°
N1CC1CC2CC3C179.9°179.9°
N1CC1CC2CH2C0.1°0.1°
N1CC1CC6CC5C179.8°179.8°
N1CC1CC6CH6C0.1°0.0°
C1CN1CO2CO3C180.0°179.9°
C2CC3CC4CH3C180.0°180.0°
C2CC3CC4CC5C0.1°0.2°
H2CC2CC3CC4C180.0°180.0°
H2CC2CC3CH3C0.0°0.0°
C3CC4CC5CC6C0.1°0.5°
C3CC4CC5CH5C179.9°180.0°
H3CC3CC4CC5C179.9°179.8°
C4CC5CC6CH5C180.0°179.5°
C4CC5CC6CH6C180.0°179.7°
H5CC5CC6CH6C0.0°0.2°

222415

PDB entries from 2024-07-10

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