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Obsolete: 39N

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1CC1Csing1.43Å1.39Å
C1CO5Csing1.43Å1.42Å
C1CC2Csing1.53Å1.47Å
O2CC2Csing1.43Å1.45Å
O5CC5Csing1.43Å1.49Å
C2CC3Csing1.53Å1.44Å
O6CC6Csing1.43Å1.40Å
C5CC6Csing1.53Å1.38Å
C5CC4Csing1.53Å1.56Å
C3CC4Csing1.53Å1.48Å
C3CO1Bsing1.43Å1.52Å
C4CO4Csing1.43Å1.41Å
O2BC2Bsing1.43Å1.46Å
O1BC1Bsing1.43Å1.44Å
C1BC2Bsing1.53Å1.48Å
C1BO5Bsing1.43Å1.44Å
C2BC3Bsing1.53Å1.46Å
O5BC5Bsing1.43Å1.50Å
C3BO1Asing1.43Å1.49Å
C3BC4Bsing1.53Å1.47Å
C5BC4Bsing1.53Å1.54Å
C5BC6Bsing1.53Å1.37Å
C5AC6Asing1.53Å1.38Å
C5AO5Asing1.43Å1.49Å
C5AC4Asing1.53Å1.55Å
C1AO5Asing1.43Å1.46Å
C1AO1Asing1.43Å1.42Å
C1AC2Asing1.53Å1.48Å
C6AO6Asing1.43Å1.39Å
O6BC6Bsing1.43Å1.41Å
C4BO4Bsing1.43Å1.43Å
O2AC2Asing1.43Å1.48Å
C2AC3Asing1.53Å1.45Å
C3AC4Asing1.53Å1.49Å
C3AO3Asing1.43Å1.48Å
C4AO4Asing1.43Å1.40Å
C2AH1sing1.09Å1.10Å
C3AH2sing1.09Å1.10Å
C4AH3sing1.09Å1.10Å
C5AH4sing1.09Å1.10Å
C6AH5sing1.09Å1.10Å
C6AH6sing1.09Å1.10Å
C1AH7sing1.09Å1.10Å
O2AH8sing0.97Å0.95Å
O3AH9sing0.97Å0.95Å
O4AH10sing0.97Å0.95Å
O6AH11sing0.97Å0.95Å
C2BH12sing1.09Å1.10Å
C3BH13sing1.09Å1.10Å
C4BH14sing1.09Å1.10Å
C5BH15sing1.09Å1.10Å
C6BH16sing1.09Å1.10Å
C6BH17sing1.09Å1.10Å
C1BH18sing1.09Å1.10Å
O2BH19sing0.97Å0.95Å
O4BH20sing0.97Å0.95Å
O6BH21sing0.97Å0.95Å
C2CH22sing1.09Å1.10Å
C3CH23sing1.09Å1.10Å
C4CH24sing1.09Å1.10Å
C5CH25sing1.09Å1.10Å
C6CH26sing1.09Å1.10Å
C6CH27sing1.09Å1.10Å
C1CH28sing1.09Å1.10Å
O1CH29sing0.97Å0.95Å
O2CH30sing0.97Å0.95Å
O4CH31sing0.97Å0.95Å
O6CH32sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1CC1CO5C105.4°109.5°
O1CC1CC2C108.3°109.5°
O1CC1CH28112.0°109.5°
C1CO1CH29109.5°114.0°
O5CC1CC2C108.5°109.4°
C1CO5CC5C110.9°114.1°
O5CC1CH28111.6°109.5°
C1CC2CO2C106.7°109.6°
C1CC2CC3C115.0°109.2°
C1CC2CH22106.7°109.5°
C2CC1CH28110.8°109.4°
O2CC2CC3C114.0°109.6°
O2CC2CH22106.9°109.5°
C2CO2CH30109.5°114.0°
O5CC5CC6C106.3°109.5°
O5CC5CC4C106.7°109.4°
O5CC5CH25109.2°109.5°
C2CC3CC4C111.1°109.1°
C2CC3CO1B107.0°109.5°
C3CC2CH22107.0°109.5°
C2CC3CH23110.4°109.5°
O6CC6CC5C111.7°109.5°
O6CC6CH26108.9°109.4°
O6CC6CH27108.9°109.5°
C6CO6CH32109.5°114.1°
C6CC5CC4C115.3°109.5°
C6CC5CH25110.8°109.5°
C5CC6CH26108.9°109.5°
C5CC6CH27108.9°109.5°
C5CC4CC3C109.5°109.2°
C5CC4CO4C110.5°109.5°
C5CC4CH24107.2°109.6°
C4CC5CH25108.2°109.5°
C4CC3CO1B109.4°109.6°
C3CC4CO4C112.2°109.5°
C4CC3CH23109.8°109.5°
C3CC4CH24108.2°109.6°
C3CO1BC1B119.4°114.0°
O1BC3CH23109.2°109.6°
O4CC4CH24109.2°109.5°
C4CO4CH31109.5°114.0°
O2BC2BC1B108.8°109.6°
O2BC2BC3B107.8°109.5°
O2BC2BH12108.3°109.5°
C2BO2BH19109.5°114.1°
O1BC1BC2B110.0°109.5°
O1BC1BO5B103.8°109.4°
O1BC1BH18112.1°109.5°
C2BC1BO5B107.1°109.4°
C1BC2BC3B115.6°109.2°
C1BC2BH12107.9°109.5°
C2BC1BH18111.4°109.5°
C1BO5BC5B111.3°114.1°
O5BC1BH18112.0°109.5°
C2BC3BO1A107.8°109.5°
C2BC3BC4B109.3°109.0°
C3BC2BH12108.3°109.5°
C2BC3BH13110.3°109.6°
O5BC5BC4B104.1°109.4°
O5BC5BC6B104.0°109.5°
O5BC5BH15111.9°109.5°
O1AC3BC4B109.6°109.5°
C3BO1AC1A117.4°114.0°
O1AC3BH13109.8°109.6°
C3BC4BC5B112.7°109.2°
C3BC4BO4B111.7°109.5°
C4BC3BH13110.1°109.6°
C3BC4BH14108.8°109.6°
C4BC5BC6B110.6°109.5°
C5BC4BO4B106.3°109.5°
C5BC4BH14107.9°109.5°
C4BC5BH15111.4°109.5°
C5BC6BO6B113.9°109.5°
C6BC5BH15114.1°109.4°
C5BC6BH16108.4°109.5°
C5BC6BH17108.4°109.5°
C6AC5AO5A105.7°109.5°
C6AC5AC4A111.1°109.5°
C5AC6AO6A115.5°109.5°
C6AC5AH4113.3°109.5°
C5AC6AH5107.9°109.5°
C5AC6AH6107.9°109.5°
O5AC5AC4A104.5°109.4°
C5AO5AC1A113.1°114.1°
O5AC5AH4111.3°109.5°
C5AC4AC3A109.5°109.2°
C5AC4AO4A107.2°109.5°
C5AC4AH3107.9°109.6°
C4AC5AH4110.6°109.5°
O5AC1AO1A102.9°109.5°
O5AC1AC2A112.7°109.4°
O5AC1AH7110.2°109.5°
O1AC1AC2A110.3°109.5°
O1AC1AH7110.7°109.4°
C1AC2AO2A109.8°109.6°
C1AC2AC3A114.4°109.2°
C1AC2AH1107.3°109.5°
C2AC1AH7109.9°109.4°
O6AC6AH5108.0°109.5°
O6AC6AH6108.0°109.4°
C6AO6AH11109.5°113.9°
O6BC6BH16108.4°109.4°
O6BC6BH17108.4°109.5°
C6BO6BH21109.5°114.0°
O4BC4BH14109.3°109.5°
C4BO4BH20109.5°114.1°
O2AC2AC3A110.1°109.5°
O2AC2AH1107.3°109.5°
C2AO2AH8109.5°114.0°
C2AC3AC4A112.0°109.0°
C2AC3AO3A110.8°109.6°
C3AC2AH1107.7°109.5°
C2AC3AH2108.5°109.5°
C4AC3AO3A109.5°109.5°
C3AC4AO4A113.8°109.5°
C4AC3AH2107.9°109.5°
C3AC4AH3108.6°109.5°
O3AC3AH2108.1°109.6°
C3AO3AH9109.5°114.0°
O4AC4AH3109.7°109.5°
C4AO4AH10109.5°114.0°
H5C6AH6109.5°109.4°
H16C6BH17109.5°109.5°
H26C6CH27109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1CC1CO5CC2C115.8°120.0°
O1CC1CO5CH28121.8°120.1°
O1CC1CC2CH28123.2°120.0°
O1CC1CC2CO2C61.4°62.5°
O1CC1CO5CC5C178.1°178.9°
O1CC1CC2CC3C171.1°177.5°
O1CC1CC2CH2252.6°57.7°
O5CC1CC2CH28122.8°120.0°
O5CC1CC2CO2C175.4°177.5°
O5CC1CC2CC3C57.1°57.6°
C1CO5CC5CC6C172.9°178.9°
C1CO5CC5CC4C63.5°61.2°
O5CC1CC2CH2261.3°62.3°
C1CO5CC5CH2553.3°58.8°
O5CC1CO1CH29180.0°60.1°
C1CC2CO2CC3C128.1°119.7°
C1CC2CO2CH22113.9°120.1°
C2CC1CO5CC5C62.3°61.2°
C1CC2CC3CH22118.3°119.9°
C1CC2CC3CC4C53.4°57.0°
C1CC2CC3CO1B172.7°176.9°
C1CC2CC3CH2368.6°62.9°
C2CC1CO1CH2964.0°180.0°
C1CC2CO2CH30180.0°60.3°
O2CC2CC3CH22118.0°120.2°
O2CC2CC3CC4C177.1°176.9°
O2CC2CC3CO1B63.6°63.1°
O2CC2CC3CH2355.1°57.1°
O2CC2CC1CH2861.8°57.6°
O5CC5CC6CO6C78.0°65.1°
O5CC5CC6CC4C118.1°119.9°
O5CC5CC6CH25118.5°120.0°
O5CC5CC4CH25117.4°120.0°
O5CC5CC4CC3C57.2°57.6°
O5CC5CC4CO4C178.8°177.5°
O5CC5CC4CH2460.0°62.4°
O5CC5CC6CH2642.3°175.0°
O5CC5CC6CH27161.7°54.9°
C5CO5CC1CH2860.1°58.8°
C2CC3CC4CC5C52.6°57.0°
C2CC3CC4CO1B117.8°119.9°
C2CC3CC4CH23122.3°119.9°
C2CC3CO1BH23119.4°120.2°
C2CC3CC4CO4C175.6°176.9°
C2CC3CO1BC1B132.4°89.9°
C2CC3CC4CH2463.9°63.0°
C3CC2CC1CH2865.7°62.4°
C3CC2CO2CH3051.9°180.0°
O6CC6CC5CH26120.3°120.0°
O6CC6CC5CH27120.3°120.0°
O6CC6CC5CC4C163.9°175.0°
O6CC6CC5CH2540.5°54.9°
O6CC6CH26H27119.0°120.0°
C6CC5CC4CH25124.8°120.1°
C6CC5CC4CC3C175.0°177.6°
C6CC5CC4CO4C61.0°62.6°
C6CC5CC4CH2457.8°57.5°
C5CC6CH26H27119.0°120.0°
C5CC6CO6CH32180.0°180.0°
C5CC4CC3CO4C123.0°119.9°
C5CC4CC3CH24116.6°120.0°
C5CC4CC3CO1B170.5°176.9°
C5CC4CO4CH24117.7°120.2°
C5CC4CC3CH2369.7°62.8°
C4CC5CC6CH2675.7°55.1°
C4CC5CC6CH2743.6°64.9°
C5CC4CO4CH31180.0°60.3°
C4CC3CO1BH23120.2°120.2°
C3CC4CO4CH24119.9°120.2°
C4CC3CO1BC1B107.2°150.5°
C4CC3CC2CH2264.9°62.9°
C3CC4CC5CH2560.2°62.4°
C3CC4CO4CH3157.6°180.0°
O1BC3CC4CO4C66.6°63.2°
C3CO1BC1BC2B161.7°175.0°
C3CO1BC1BO5B84.0°65.1°
C3CO1BC1BH1837.1°54.9°
O1BC3CC2CH2254.4°57.0°
O1BC3CC4CH2453.9°56.9°
O4CC4CC3CH2353.3°57.0°
O4CC4CC5CH2563.8°57.5°
O2BC2BC1BO1B69.7°62.5°
O2BC2BC1BC3B121.4°120.0°
O2BC2BC1BH12117.3°120.1°
O2BC2BC1BO5B178.1°177.6°
O2BC2BC3BH12116.9°120.1°
O2BC2BC3BO1A67.1°63.2°
O2BC2BC3BC4B173.9°177.0°
O2BC2BC3BH1352.8°57.0°
O2BC2BC1BH1855.3°57.6°
O1BC1BC2BO5B112.2°119.9°
O1BC1BC2BH18125.0°120.1°
O1BC1BO5BH18121.2°120.0°
O1BC1BC2BC3B168.9°177.6°
O1BC1BO5BC5B180.0°178.9°
O1BC1BC2BH1247.6°57.7°
C1BO1BC3CH2313.0°30.3°
C2BC1BO5BH18122.4°120.0°
C1BC2BC3BH12121.1°119.9°
C2BC1BO5BC5B63.6°61.2°
C1BC2BC3BO1A171.0°176.8°
C1BC2BC3BC4B52.0°57.0°
C1BC2BC3BH1369.2°62.9°
C1BC2BO2BH19180.0°60.2°
O5BC1BC2BC3B56.7°57.6°
C1BO5BC5BC4B64.8°61.1°
C1BO5BC5BC6B179.3°178.9°
O5BC1BC2BH1264.6°62.3°
C1BO5BC5BH1555.6°58.9°
C2BC3BO1AC4B118.9°119.5°
C2BC3BO1AH13120.1°120.2°
C2BC3BC4BH13121.2°119.9°
C2BC3BC4BC5B53.5°57.0°
C2BC3BO1AC1A124.9°90.0°
C2BC3BC4BO4B173.1°176.9°
C2BC3BC4BH1466.1°63.0°
C3BC2BC1BH1866.1°62.4°
C3BC2BO2BH1954.0°180.0°
O5BC5BC4BC3B59.1°57.6°
O5BC5BC4BC6B111.2°120.0°
O5BC5BC4BH15120.8°120.0°
O5BC5BC6BH15122.3°120.0°
O5BC5BC6BO6B59.9°65.1°
O5BC5BC4BO4B178.2°177.5°
O5BC5BC4BH1461.1°62.4°
O5BC5BC6BH16179.4°174.9°
O5BC5BC6BH1760.7°54.9°
C5BO5BC1BH1858.8°58.8°
O1AC3BC4BH13120.8°120.2°
O1AC3BC4BC5B171.5°176.8°
C3BO1AC1AO5A46.2°65.0°
C3BO1AC1AC2A166.6°175.0°
O1AC3BC4BO4B69.0°63.2°
C3BO1AC1AH771.6°55.1°
O1AC3BC2BH1249.9°57.0°
O1AC3BC4BH1451.8°56.8°
C3BC4BC5BO4B122.7°119.9°
C3BC4BC5BH14120.2°120.0°
C3BC4BC5BC6B170.3°177.6°
C4BC3BO1AC1A116.2°150.4°
C3BC4BO4BH14120.5°120.2°
C4BC3BC2BH1269.2°62.9°
C3BC4BC5BH1561.7°62.4°
C3BC4BO4BH20180.0°180.0°
C4BC5BC6BH15126.5°120.0°
C4BC5BC6BO6B171.1°175.0°
C5BC4BO4BH14116.2°120.1°
C5BC4BC3BH1367.7°63.0°
C4BC5BC6BH1668.2°55.0°
C4BC5BC6BH1750.5°65.0°
C5BC4BO4BH2056.7°60.3°
C5BC6BO6BH16120.6°120.0°
C5BC6BO6BH17120.7°120.0°
C6BC5BC4BO4B67.0°62.5°
C6BC5BC4BH1450.1°57.6°
C5BC6BH16H17118.0°120.0°
C5BC6BO6BH21180.0°180.0°
C6AC5AO5AC4A117.3°120.0°
C6AC5AO5AH4123.3°120.0°
C6AC5AC4AH4126.6°120.0°
C6AC5AO5AC1A178.6°178.8°
C5AC6AO6AH5120.9°120.0°
C5AC6AO6AH6120.9°120.0°
C6AC5AC4AC3A176.1°177.6°
C6AC5AC4AO4A60.0°62.5°
C6AC5AC4AH358.1°57.7°
C5AC6AH5H6117.2°120.0°
C5AC6AO6AH11180.0°180.0°
O5AC5AC4AH4119.9°120.0°
C5AO5AC1AO1A172.7°178.8°
C5AO5AC1AC2A53.9°61.1°
O5AC5AC6AO6A46.0°65.0°
O5AC5AC4AC3A62.6°57.6°
O5AC5AC4AO4A173.5°177.5°
O5AC5AC4AH355.4°62.3°
O5AC5AC6AH574.9°174.9°
O5AC5AC6AH6166.9°55.0°
C5AO5AC1AH769.2°58.8°
C4AC5AO5AC1A61.3°61.2°
C4AC5AC6AO6A66.8°175.1°
C5AC4AC3AC2A58.5°57.0°
C5AC4AC3AO4A120.0°119.9°
C5AC4AC3AH3117.5°120.0°
C5AC4AC3AO3A178.3°176.9°
C5AC4AO4AH3116.9°120.2°
C5AC4AC3AH260.8°62.9°
C4AC5AC6AH5172.3°55.0°
C4AC5AC6AH654.1°64.9°
C5AC4AO4AH10180.0°179.7°
O5AC1AO1AC2A120.4°120.0°
O5AC1AO1AH7117.7°120.1°
O5AC1AC2AH7123.3°120.0°
O5AC1AC2AO2A170.3°177.6°
O5AC1AC2AC3A45.9°57.6°
O5AC1AC2AH173.5°62.3°
C1AO5AC5AH458.1°58.8°
O1AC1AC2AH7122.3°119.9°
O1AC1AC2AO2A75.4°62.4°
O1AC1AC2AC3A160.3°177.6°
O1AC1AC2AH140.9°57.8°
C1AO1AC3BH134.8°30.2°
C1AC2AO2AC3A126.8°119.8°
C1AC2AO2AH1116.3°120.1°
C1AC2AC3AH1119.2°119.8°
C1AC2AC3AC4A49.0°56.9°
C1AC2AC3AO3A171.5°176.8°
C1AC2AC3AH270.0°62.9°
C1AC2AO2AH8180.0°60.2°
O6AC6AC5AH4168.1°55.1°
O6AC6AH5H6117.3°120.0°
O6BC6BC5BH1562.4°55.0°
O6BC6BH16H17118.0°120.0°
O4BC4BC3BH1351.9°57.0°
O4BC4BC5BH1561.0°57.5°
O2AC2AC3AH1116.7°120.1°
O2AC2AC3AC4A173.1°177.0°
O2AC2AC3AO3A64.3°63.1°
O2AC2AC3AH254.2°57.1°
O2AC2AC1AH747.0°57.5°
C2AC3AC4AO3A123.3°119.9°
C2AC3AC4AH2119.3°119.9°
C2AC3AO3AH2118.7°120.2°
C2AC3AC4AO4A178.4°176.9°
C2AC3AC4AH359.1°63.0°
C3AC2AC1AH777.4°62.4°
C3AC2AO2AH853.2°180.0°
C2AC3AO3AH9180.0°60.0°
C4AC3AO3AH2117.3°120.2°
C3AC4AO4AH3121.8°120.1°
C4AC3AC2AH170.2°62.9°
C3AC4AC5AH457.3°62.4°
C4AC3AO3AH956.0°179.6°
C3AC4AO4AH1058.8°60.0°
O3AC3AC4AO4A58.3°63.2°
O3AC3AC2AH152.4°57.0°
O3AC3AC4AH364.2°56.9°
O4AC4AC3AH259.1°57.0°
O4AC4AC5AH466.6°57.5°
H1C2AC3AH2170.9°177.2°
H1C2AC1AH7163.2°177.7°
H1C2AO2AH863.7°59.9°
H2C3AC4AH3178.4°177.1°
H2C3AO3AH961.3°60.2°
H3C4AC5AH4175.2°177.7°
H3C4AO4AH1063.1°60.1°
H4C5AC6AH547.2°65.0°
H4C5AC6AH671.0°175.0°
H5C6AO6AH1159.1°60.0°
H6C6AO6AH1159.1°60.0°
H12C2BC3BH13169.7°177.2°
H12C2BC1BH18172.5°177.7°
H12C2BO2BH1963.0°59.9°
H13C3BC4BH14172.6°177.1°
H14C4BC5BH15178.1°177.6°
H14C4BO4BH2059.5°59.9°
H15C5BC6BH1658.3°65.0°
H15C5BC6BH17177.0°175.0°
H16C6BO6BH2159.4°60.0°
H17C6BO6BH2159.3°60.0°
H22C2CC3CH23173.1°177.2°
H22C2CC1CH28175.8°177.7°
H22C2CO2CH3066.1°59.8°
H23C3CC4CH24173.8°177.1°
H24C4CC5CH25177.4°177.6°
H24C4CO4CH3162.3°59.8°
H25C5CC6CH26160.9°65.0°
H25C5CC6CH2779.8°175.0°
H26C6CO6CH3259.7°60.0°
H27C6CO6CH3259.7°60.0°
H28C1CO1CH2958.5°60.0°

224931

PDB entries from 2024-09-11

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