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PRD_900009

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1AC2Asing1.53Å1.52Å
C1AO1Xsing1.43Å1.39Å
C1AO5Asing1.43Å1.43Å
C2AC3Asing1.53Å1.52Å
C2AO2Asing1.43Å1.43Å
C3AO3Asing1.43Å1.42Å
C3AC4Asing1.53Å1.52Å
C4AC5Asing1.53Å1.52Å
C4AO4Asing1.43Å1.43Å
C5AC6Asing1.53Å1.51Å
C5AO5Asing1.43Å1.44Å
C6AO6Asing1.43Å1.41Å
O4AC1Bsing1.43Å1.41Å
C1BC2Bsing1.53Å1.52Å
C1BO5Bsing1.43Å1.42Å
C2BO2Bsing1.43Å1.42Å
C2BC3Bsing1.53Å1.52Å
C3BO3Bsing1.43Å1.43Å
C3BC4Bsing1.53Å1.52Å
C4BC5Bsing1.53Å1.52Å
C4BO4Bsing1.43Å1.44Å
C5BO5Bsing1.43Å1.44Å
C5BC6Bsing1.53Å1.51Å
C6BO6Bsing1.43Å1.42Å
O4BC1Csing1.43Å1.41Å
C1CC2Csing1.53Å1.52Å
C1CO5Csing1.43Å1.42Å
C2CO2Csing1.43Å1.42Å
C2CC3Csing1.53Å1.52Å
C3CC4Csing1.53Å1.52Å
C3CO3Csing1.43Å1.43Å
C4CC5Csing1.53Å1.52Å
C4CO4Csing1.43Å1.43Å
C5CO5Csing1.43Å1.44Å
C5CC6Csing1.53Å1.51Å
C6CO6Csing1.43Å1.41Å
C1AH1Asing1.09Å1.10Å
C2AH2Asing1.09Å1.10Å
C3AH3Asing1.09Å1.10Å
C4AH4Asing1.09Å1.10Å
C5AH5Asing1.09Å1.10Å
C6AH6A1sing1.09Å1.10Å
C6AH6A2sing1.09Å1.10Å
O1XH1Xsing0.97Å0.95Å
O2AHOA2sing0.97Å0.95Å
O3AHOA3sing0.97Å0.95Å
O6AHOA6sing0.97Å0.95Å
C1BH1Bsing1.09Å1.10Å
C2BH2Bsing1.09Å1.10Å
C3BH3Bsing1.09Å1.10Å
C4BH4Bsing1.09Å1.10Å
C5BH5Bsing1.09Å1.10Å
C6BH6B1sing1.09Å1.10Å
C6BH6B2sing1.09Å1.10Å
O2BHOB2sing0.97Å0.95Å
O3BHOB3sing0.97Å0.95Å
O6BHOB6sing0.97Å0.95Å
C1CH1Csing1.09Å1.10Å
C2CH2Csing1.09Å1.10Å
C3CH3Csing1.09Å1.10Å
C4CH4Csing1.09Å1.10Å
C5CH5Csing1.09Å1.10Å
C6CH6C1sing1.09Å1.10Å
C6CH6C2sing1.09Å1.10Å
O2CHOC2sing0.97Å0.95Å
O3CHOC3sing0.97Å0.95Å
O4CHOC4sing0.97Å0.95Å
O6CHOC6sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2AC1AO1X110.2°109.5°
C2AC1AO5A109.1°109.4°
C1AC2AC3A109.8°109.1°
C1AC2AO2A111.4°109.5°
C2AC1AH1A107.5°109.5°
C1AC2AH2A107.5°109.5°
O1XC1AO5A112.0°109.5°
O1XC1AH1A109.2°109.4°
C1AO1XH1X109.5°114.0°
C1AO5AC5A114.3°114.1°
O5AC1AH1A108.7°109.5°
C3AC2AO2A111.7°109.5°
C2AC3AO3A108.2°109.5°
C2AC3AC4A109.2°109.0°
C3AC2AH2A107.5°109.6°
C2AC3AH3A109.2°109.6°
O2AC2AH2A108.7°109.6°
C2AO2AHOA2109.5°114.0°
O3AC3AC4A110.3°109.5°
O3AC3AH3A110.6°109.5°
C3AO3AHOA3109.5°114.0°
C3AC4AC5A110.7°109.2°
C3AC4AO4A108.2°109.5°
C4AC3AH3A109.2°109.6°
C3AC4AH4A109.2°109.6°
C5AC4AO4A109.0°109.5°
C4AC5AC6A112.3°109.5°
C4AC5AO5A109.1°109.4°
C5AC4AH4A109.3°109.5°
C4AC5AH5A109.1°109.5°
C4AO4AC1B116.4°114.0°
O4AC4AH4A110.5°109.6°
C6AC5AO5A106.9°109.5°
C5AC6AO6A111.2°109.5°
C6AC5AH5A109.2°109.5°
C5AC6AH6A1109.1°109.5°
C5AC6AH6A2109.1°109.5°
O5AC5AH5A110.2°109.5°
O6AC6AH6A1109.0°109.5°
O6AC6AH6A2109.0°109.5°
C6AO6AHOA6109.5°114.0°
O4AC1BC2B109.0°109.5°
O4AC1BO5B112.2°109.5°
O4AC1BH1B108.8°109.5°
C2BC1BO5B110.7°109.4°
C1BC2BO2B108.8°109.5°
C1BC2BC3B111.8°109.2°
C2BC1BH1B107.3°109.5°
C1BC2BH2B108.3°109.5°
C1BO5BC5B115.2°114.1°
O5BC1BH1B108.6°109.5°
O2BC2BC3B109.9°109.5°
O2BC2BH2B109.7°109.5°
C2BO2BHOB2109.5°114.0°
C2BC3BO3B108.8°109.6°
C2BC3BC4B111.4°109.0°
C3BC2BH2B108.3°109.6°
C2BC3BH3B108.6°109.6°
O3BC3BC4B109.5°109.5°
O3BC3BH3B109.9°109.5°
C3BO3BHOB3109.5°114.0°
C3BC4BC5B111.6°109.1°
C3BC4BO4B108.2°109.5°
C4BC3BH3B108.6°109.6°
C3BC4BH4B109.2°109.5°
C5BC4BO4B108.1°109.5°
C4BC5BO5B109.7°109.4°
C4BC5BC6B111.2°109.5°
C5BC4BH4B109.2°109.5°
C4BC5BH5B109.2°109.5°
C4BO4BC1C117.0°114.0°
O4BC4BH4B110.4°109.6°
O5BC5BC6B107.2°109.5°
O5BC5BH5B110.3°109.5°
C5BC6BO6B113.3°109.5°
C6BC5BH5B109.3°109.5°
C5BC6BH6B1108.5°109.4°
C5BC6BH6B2108.5°109.5°
O6BC6BH6B1108.5°109.5°
O6BC6BH6B2108.5°109.5°
C6BO6BHOB6109.5°114.0°
O4BC1CC2C109.8°109.5°
O4BC1CO5C110.8°109.5°
O4BC1CH1C109.1°109.5°
C2CC1CO5C110.4°109.4°
C1CC2CO2C108.4°109.5°
C1CC2CC3C111.0°109.2°
C2CC1CH1C107.6°109.5°
C1CC2CH2C108.1°109.5°
C1CO5CC5C114.2°114.1°
O5CC1CH1C109.1°109.5°
O2CC2CC3C111.7°109.6°
O2CC2CH2C109.5°109.5°
C2CO2CHOC2109.5°114.0°
C2CC3CC4C108.2°109.1°
C2CC3CO3C111.5°109.6°
C3CC2CH2C108.1°109.6°
C2CC3CH3C108.3°109.6°
C4CC3CO3C110.7°109.5°
C3CC4CC5C109.7°109.2°
C3CC4CO4C109.6°109.5°
C4CC3CH3C108.4°109.5°
C3CC4CH4C108.9°109.5°
O3CC3CH3C109.6°109.6°
C3CO3CHOC3109.5°114.0°
C5CC4CO4C109.7°109.5°
C4CC5CO5C109.8°109.4°
C4CC5CC6C112.2°109.5°
C5CC4CH4C108.9°109.5°
C4CC5CH5C109.1°109.5°
O4CC4CH4C110.1°109.5°
C4CO4CHOC4109.5°114.0°
O5CC5CC6C106.3°109.4°
O5CC5CH5C110.2°109.5°
C5CC6CO6C112.3°109.5°
C6CC5CH5C109.3°109.5°
C5CC6CH6C1108.8°109.4°
C5CC6CH6C2108.8°109.5°
O6CC6CH6C1108.7°109.5°
O6CC6CH6C2108.8°109.4°
C6CO6CHOC6109.5°114.0°
H6A1C6AH6A2109.5°109.4°
H6B1C6BH6B2109.4°109.5°
H6C1C6CH6C2109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2AC1AO1XO5A121.6°120.0°
C2AC1AO1XH1A118.0°120.0°
C2AC1AO5AH1A116.9°120.0°
C1AC2AC3AO2A124.1°119.9°
C1AC2AC3AH2A116.7°119.9°
C1AC2AO2AH2A118.3°120.1°
C1AC2AC3AO3A176.6°176.8°
C1AC2AC3AC4A56.5°57.0°
C2AC1AO5AC5A61.4°61.1°
C1AC2AC3AH3A62.9°63.0°
C2AC1AO1XH1X180.0°180.0°
C1AC2AO2AHOA2180.0°60.1°
O1XC1AO5AH1A120.7°120.0°
O1XC1AC2AC3A65.0°62.4°
O1XC1AC2AO2A59.3°57.5°
O1XC1AO5AC5A60.9°58.8°
O1XC1AC2AH2A178.3°177.7°
O5AC1AC2AC3A58.3°57.6°
O5AC1AC2AO2A177.3°177.5°
C1AO5AC5AC4A59.8°61.1°
C1AO5AC5AC6A178.6°178.9°
O5AC1AC2AH2A58.3°62.3°
C1AO5AC5AH5A60.0°58.9°
O5AC1AO1XH1X58.3°60.0°
C3AC2AO2AH2A118.5°120.2°
C2AC3AO3AC4A119.4°119.5°
C2AC3AO3AH3A119.7°120.2°
C2AC3AC4AH3A119.4°120.0°
C2AC3AC4AC5A55.3°57.0°
C2AC3AC4AO4A174.7°176.9°
C3AC2AC1AH1A176.0°177.7°
C2AC3AC4AH4A65.0°62.9°
C3AC2AO2AHOA256.8°179.7°
C2AC3AO3AHOA3180.0°60.0°
O2AC2AC3AO3A59.3°63.3°
O2AC2AC3AC4A179.4°176.9°
O2AC2AC1AH1A59.7°62.4°
O2AC2AC3AH3A61.2°56.9°
O3AC3AC4AH3A121.8°120.2°
O3AC3AC4AC5A174.2°176.9°
O3AC3AC4AO4A66.5°63.3°
O3AC3AC2AH2A59.9°56.9°
O3AC3AC4AH4A53.8°56.9°
C3AC4AC5AO4A118.9°119.9°
C3AC4AC5AH4A120.3°120.0°
C3AC4AO4AH4A119.5°120.2°
C3AC4AC5AC6A173.7°177.6°
C3AC4AC5AO5A55.4°57.6°
C3AC4AO4AC1B117.2°85.2°
C4AC3AC2AH2A60.2°62.9°
C3AC4AC5AH5A65.0°62.3°
C4AC3AO3AHOA360.6°179.5°
C5AC4AO4AH4A120.1°120.1°
C4AC5AC6AO5A119.6°119.9°
C4AC5AC6AH5A121.2°120.1°
C4AC5AO5AH5A119.8°120.0°
C4AC5AC6AO6A173.8°175.9°
C5AC4AO4AC1B122.4°155.1°
C5AC4AC3AH3A64.0°62.9°
C4AC5AC6AH6A153.6°55.9°
C4AC5AC6AH6A265.9°64.0°
O4AC4AC5AC6A67.4°62.5°
O4AC4AC5AO5A174.3°177.5°
C4AO4AC1BC2B132.5°167.6°
C4AO4AC1BO5B104.5°72.5°
O4AC4AC3AH3A55.3°56.9°
O4AC4AC5AH5A53.8°57.5°
C4AO4AC1BH1B15.7°47.5°
C6AC5AO5AH5A118.6°120.0°
C5AC6AO6AH6A1120.3°120.0°
C5AC6AO6AH6A2120.3°120.0°
C6AC5AC4AH4A53.4°57.6°
C5AC6AH6A1H6A2119.2°120.0°
C5AC6AO6AHOA6180.0°180.0°
O5AC5AC6AO6A66.6°64.1°
C5AO5AC1AH1A178.3°178.8°
O5AC5AC4AH4A64.9°62.3°
O5AC5AC6AH6A1173.2°175.8°
O5AC5AC6AH6A253.7°55.9°
O6AC6AC5AH5A52.7°55.8°
O6AC6AH6A1H6A2119.2°120.0°
O4AC1BC2BO5B123.9°119.9°
O4AC1BC2BH1B117.7°120.0°
O4AC1BO5BH1B120.3°120.0°
O4AC1BC2BO2B49.8°57.6°
O4AC1BC2BC3B71.7°62.4°
O4AC1BO5BC5B63.1°58.8°
C1BO4AC4AH4A2.4°35.0°
O4AC1BC2BH2B169.0°177.7°
C2BC1BO5BH1B117.6°120.0°
C1BC2BO2BC3B122.7°119.7°
C1BC2BO2BH2B118.3°120.1°
C1BC2BC3BH2B119.3°119.9°
C1BC2BC3BO3B169.8°176.8°
C1BC2BC3BC4B49.0°57.0°
C2BC1BO5BC5B58.9°61.1°
C1BC2BC3BH3B70.5°62.9°
C1BC2BO2BHOB2180.0°59.9°
O5BC1BC2BO2B173.7°177.5°
O5BC1BC2BC3B52.2°57.6°
C1BO5BC5BC4B59.5°61.1°
C1BO5BC5BC6B179.6°178.9°
O5BC1BC2BH2B67.1°62.4°
C1BO5BC5BH5B60.8°58.8°
O2BC2BC3BH2B119.8°120.2°
O2BC2BC3BO3B69.3°63.2°
O2BC2BC3BC4B169.9°176.9°
O2BC2BC1BH1B67.9°62.5°
O2BC2BC3BH3B50.4°57.0°
C2BC3BO3BC4B122.0°119.6°
C2BC3BO3BH3B118.8°120.3°
C2BC3BC4BH3B119.6°120.0°
C2BC3BC4BC5B50.0°57.0°
C2BC3BC4BO4B168.8°176.9°
C3BC2BC1BH1B170.6°177.6°
C2BC3BC4BH4B70.9°62.9°
C3BC2BO2BHOB257.3°179.6°
C2BC3BO3BHOB3180.0°59.9°
O3BC3BC4BH3B120.1°120.2°
O3BC3BC4BC5B170.4°176.9°
O3BC3BC4BO4B70.8°63.2°
O3BC3BC2BH2B50.5°56.9°
O3BC3BC4BH4B49.5°57.0°
C3BC4BC5BO4B118.9°119.9°
C3BC4BC5BH4B120.9°119.9°
C3BC4BO4BH4B119.5°120.2°
C3BC4BC5BO5B53.5°57.6°
C3BC4BC5BC6B171.9°177.6°
C3BC4BO4BC1C105.7°85.2°
C4BC3BC2BH2B70.3°62.9°
C3BC4BC5BH5B67.5°62.4°
C4BC3BO3BHOB358.0°179.5°
C5BC4BO4BH4B119.5°120.1°
C4BC5BO5BC6B120.8°120.0°
C4BC5BO5BH5B120.3°120.0°
C4BC5BC6BH5B120.6°120.0°
C4BC5BC6BO6B173.4°175.9°
C5BC4BO4BC1C133.3°155.1°
C5BC4BC3BH3B69.5°63.0°
C4BC5BC6BH6B152.8°55.9°
C4BC5BC6BH6B266.0°64.1°
O4BC4BC5BO5B172.4°177.5°
O4BC4BC5BC6B69.3°62.5°
C4BO4BC1CC2C130.6°167.6°
C4BO4BC1CO5C107.3°72.5°
O4BC4BC3BH3B49.3°56.9°
O4BC4BC5BH5B51.4°57.5°
C4BO4BC1CH1C12.8°47.6°
O5BC5BC6BH5B119.5°120.0°
O5BC5BC6BO6B66.7°64.2°
C5BO5BC1BH1B176.5°178.9°
O5BC5BC4BH4B67.4°62.3°
O5BC5BC6BH6B1172.7°175.9°
O5BC5BC6BH6B253.9°55.9°
C5BC6BO6BH6B1120.6°120.0°
C5BC6BO6BH6B2120.6°120.0°
C6BC5BC4BH4B51.0°57.7°
C5BC6BH6B1H6B2118.3°120.0°
C5BC6BO6BHOB6180.0°180.0°
O6BC6BC5BH5B52.8°55.9°
O6BC6BH6B1H6B2118.3°120.0°
O4BC1CC2CO5C122.4°119.9°
O4BC1CC2CH1C118.7°120.0°
O4BC1CO5CH1C120.1°120.0°
O4BC1CC2CO2C55.7°57.6°
O4BC1CC2CC3C67.3°62.3°
O4BC1CO5CC5C64.3°58.8°
C1CO4BC4BH4B13.9°35.0°
O4BC1CC2CH2C174.3°177.7°
C2CC1CO5CH1C118.1°120.0°
C1CC2CO2CC3C122.6°119.7°
C1CC2CO2CH2C117.7°120.1°
C1CC2CC3CH2C118.4°119.9°
C1CC2CC3CC4C55.5°57.0°
C1CC2CC3CO3C177.5°176.8°
C2CC1CO5CC5C57.5°61.2°
C1CC2CC3CH3C61.8°62.9°
C1CC2CO2CHOC2180.0°59.9°
O5CC1CC2CO2C178.1°177.5°
O5CC1CC2CC3C55.1°57.6°
C1CO5CC5CC4C59.6°61.2°
C1CO5CC5CC6C178.9°178.9°
O5CC1CC2CH2C63.3°62.4°
C1CO5CC5CH5C60.7°58.8°
O2CC2CC3CH2C120.5°120.2°
O2CC2CC3CC4C176.6°176.9°
O2CC2CC3CO3C61.4°63.3°
O2CC2CC1CH1C63.0°62.4°
O2CC2CC3CH3C59.3°57.0°
C2CC3CC4CO3C122.5°119.9°
C2CC3CC4CH3C117.3°119.9°
C2CC3CO3CH3C120.0°120.3°
C2CC3CC4CC5C57.2°57.0°
C2CC3CC4CO4C177.6°176.9°
C3CC2CC1CH1C174.0°177.6°
C2CC3CC4CH4C61.9°62.9°
C3CC2CO2CHOC257.4°179.6°
C2CC3CO3CHOC3180.0°60.0°
C4CC3CO3CH3C119.5°120.2°
C3CC4CC5CO4C120.4°119.9°
C3CC4CC5CH4C119.0°119.9°
C3CC4CO4CH4C119.8°120.2°
C3CC4CC5CO5C58.5°57.6°
C3CC4CC5CC6C176.4°177.6°
C4CC3CC2CH2C62.9°62.9°
C3CC4CC5CH5C62.4°62.4°
C4CC3CO3CHOC359.5°179.5°
C3CC4CO4CHOC4180.0°60.0°
O3CC3CC4CC5C179.6°176.9°
O3CC3CC4CO4C59.9°63.2°
O3CC3CC2CH2C59.1°56.9°
O3CC3CC4CH4C60.6°57.0°
C5CC4CO4CH4C119.8°120.1°
C4CC5CO5CC6C121.5°119.9°
C4CC5CO5CH5C120.2°120.0°
C4CC5CC6CH5C121.1°120.0°
C4CC5CC6CO6C170.2°175.0°
C5CC4CC3CH3C60.1°62.9°
C4CC5CC6CH6C149.8°55.0°
C4CC5CC6CH6C269.3°65.0°
C5CC4CO4CHOC459.5°179.7°
O4CC4CC5CO5C179.0°177.5°
O4CC4CC5CC6C63.1°62.5°
O4CC4CC3CH3C60.3°57.0°
O4CC4CC5CH5C58.1°57.5°
O5CC5CC6CH5C118.9°120.1°
O5CC5CC6CO6C69.8°65.1°
C5CO5CC1CH1C175.5°178.8°
O5CC5CC4CH4C60.5°62.3°
O5CC5CC6CH6C1169.8°174.9°
O5CC5CC6CH6C250.7°54.9°
C5CC6CO6CH6C1120.4°120.0°
C5CC6CO6CH6C2120.4°120.0°
C6CC5CC4CH4C57.4°57.6°
C5CC6CH6C1H6C2118.7°120.1°
C5CC6CO6CHOC6180.0°180.0°
O6CC6CC5CH5C49.1°55.0°
O6CC6CH6C1H6C2118.7°120.0°
H1AC1AC2AH2A59.3°57.7°
H1AC1AO1XH1X62.1°60.0°
H2AC2AC3AH3A179.6°177.1°
H2AC2AO2AHOA261.7°60.1°
H3AC3AC4AH4A175.6°177.1°
H3AC3AO3AHOA360.3°60.2°
H4AC4AC5AH5A174.6°177.7°
H5AC5AC6AH6A167.6°64.2°
H5AC5AC6AH6A2172.9°175.9°
H6A1C6AO6AHOA659.7°60.0°
H6A2C6AO6AHOA659.8°60.0°
H1BC1BC2BH2B51.3°57.6°
H2BC2BC3BH3B170.2°177.1°
H2BC2BO2BHOB261.7°60.2°
H3BC3BC4BH4B169.6°177.2°
H3BC3BO3BHOB361.2°60.3°
H4BC4BC5BH5B171.6°177.7°
H5BC5BC6BH6B167.8°64.1°
H5BC5BC6BH6B2173.4°175.9°
H6B1C6BO6BHOB659.4°60.1°
H6B2C6BO6BHOB659.4°59.9°
H1CC1CC2CH2C55.6°57.7°
H2CC2CC3CH3C179.8°177.2°
H2CC2CO2CHOC262.3°60.2°
H3CC3CC4CH4C179.2°177.2°
H3CC3CO3CHOC360.0°60.3°
H4CC4CC5CH5C178.6°177.7°
H4CC4CO4CHOC460.3°60.2°
H5CC5CC6CH6C171.3°65.0°
H5CC5CC6CH6C2169.5°175.0°
H6C1C6CO6CHOC659.5°60.0°
H6C2C6CO6CHOC659.6°60.0°

226707

PDB entries from 2024-10-30

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