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H13

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O21C21doub1.21Å1.24Å
C21N2sing1.35Å1.36Å
C21C22sing1.51Å1.50Å
N2C2sing1.47Å1.46Å
C2C1sing1.53Å1.51Å
C2C3sing1.53Å1.54Å
C1O1sing1.43Å1.43Å
C3C4sing1.53Å1.51Å
C4C5sing1.51Å1.50Å
C4O4sing1.43Å1.44Å
C5C6doub1.38Å1.38ÅAromatic
C5C10sing1.38Å1.40ÅAromatic
C6C7sing1.38Å1.39ÅAromatic
C7C8doub1.38Å1.39ÅAromatic
C8C9sing1.38Å1.40ÅAromatic
C9C10doub1.38Å1.37ÅAromatic
C22C23sing1.53Å1.51Å
C23C24sing1.53Å1.52Å
C24C25sing1.53Å1.53Å
C25C26sing1.53Å1.51Å
C26C27sing1.53Å1.51Å
C27C28sing1.53Å1.52Å
C28C29sing1.53Å1.53Å
C29C30sing1.53Å1.54Å
C30C31sing1.53Å1.52Å
C31C32sing1.53Å1.53Å
C32C33sing1.53Å1.52Å
N2HN2sing0.97Å1.00Å
C2H2sing1.09Å1.10Å
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
O1HO1sing0.97Å0.95Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
C4H4sing1.09Å1.10Å
C6H6sing1.08Å1.08Å
C7H7sing1.08Å1.08Å
C8H8sing1.08Å1.08Å
C9H9sing1.08Å1.08Å
C10H10sing1.08Å1.08Å
O4HO4sing0.97Å0.95Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
C23H23sing1.09Å1.10Å
C23H23Asing1.09Å1.10Å
C24H24sing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C27H27sing1.09Å1.10Å
C27H27Asing1.09Å1.10Å
C28H28sing1.09Å1.10Å
C28H28Asing1.09Å1.10Å
C29H29sing1.09Å1.10Å
C29H29Asing1.09Å1.10Å
C30H30sing1.09Å1.10Å
C30H30Asing1.09Å1.10Å
C31H31sing1.09Å1.10Å
C31H31Asing1.09Å1.10Å
C32H32sing1.09Å1.10Å
C32H32Asing1.09Å1.10Å
C33H33sing1.09Å1.10Å
C33H33Asing1.09Å1.10Å
C33H33Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O21C21N2126.7°120.0°
O21C21C22118.3°120.0°
N2C21C22115.0°120.0°
C21N2C2123.8°120.0°
C21N2HN2118.1°120.0°
C21C22C23110.4°109.5°
C21C22H22109.2°109.5°
C21C22H22A109.0°109.5°
N2C2C1108.8°109.5°
N2C2C3108.0°109.5°
C2N2HN2118.1°119.9°
N2C2H2110.3°109.5°
C1C2C3107.9°109.4°
C2C1O1105.3°109.5°
C1C2H2110.4°109.5°
C2C1H1110.9°109.5°
C2C1H1A111.8°109.4°
C2C3C4100.7°109.5°
C3C2H2111.3°109.5°
C2C3H3112.5°109.4°
C2C3H3A114.3°109.5°
O1C1H1110.9°109.5°
O1C1H1A111.8°109.5°
C1O1HO1109.5°114.0°
C3C4C5122.4°109.4°
C3C4O4111.9°109.5°
C4C3H3112.5°109.5°
C4C3H3A114.4°109.5°
C3C4H4104.7°109.5°
C5C4O4121.7°109.5°
C4C5C6124.5°120.0°
C4C5C10115.8°120.0°
C5C4H480.3°109.4°
O4C4H4106.2°109.5°
C4O4HO4109.5°114.0°
C6C5C10119.1°120.0°
C5C6C7119.3°120.0°
C5C6H6120.4°120.0°
C5C10C9122.1°120.0°
C5C10H10119.0°120.0°
C6C7C8121.1°120.0°
C7C6H6120.3°120.0°
C6C7H7119.5°120.0°
C7C8C9119.4°120.0°
C8C7H7119.4°120.0°
C7C8H8120.3°120.1°
C8C9C10118.9°120.0°
C9C8H8120.3°120.0°
C8C9H9120.6°120.0°
C10C9H9120.6°120.0°
C9C10H10119.0°120.0°
C22C23C24106.9°109.5°
C23C22H22109.2°109.4°
C23C22H22A108.9°109.4°
C22C23H23110.3°109.5°
C22C23H23A110.9°109.4°
C23C24C25115.3°109.5°
C24C23H23110.3°109.6°
C24C23H23A110.8°109.5°
C23C24H24107.6°109.5°
C23C24H24A106.2°109.5°
C24C25C26111.5°109.5°
C25C24H24107.6°109.4°
C25C24H24A106.2°109.4°
C24C25H25108.8°109.4°
C24C25H25A108.4°109.4°
C25C26C27109.9°109.5°
C26C25H25108.8°109.5°
C26C25H25A108.3°109.5°
C25C26H26109.3°109.4°
C25C26H26A109.2°109.5°
C26C27C28106.0°109.5°
C27C26H26109.3°109.5°
C27C26H26A109.2°109.5°
C26C27H27110.7°109.4°
C26C27H27A111.4°109.4°
C27C28C29114.3°109.5°
C28C27H27110.6°109.5°
C28C27H27A111.4°109.5°
C27C28H28107.9°109.5°
C27C28H28A106.8°109.5°
C28C29C30111.5°109.5°
C29C28H28107.9°109.4°
C29C28H28A106.8°109.4°
C28C29H29108.8°109.4°
C28C29H29A108.4°109.4°
C29C30C31111.4°109.5°
C30C29H29108.8°109.5°
C30C29H29A108.4°109.5°
C29C30H30108.9°109.4°
C29C30H30A108.4°109.5°
C30C31C32112.2°109.5°
C31C30H30108.8°109.5°
C31C30H30A108.4°109.5°
C30C31H31108.6°109.4°
C30C31H31A108.0°109.4°
C31C32C33110.9°109.5°
C32C31H31108.6°109.5°
C32C31H31A108.0°109.5°
C31C32H32109.0°109.5°
C31C32H32A108.7°109.4°
C33C32H32109.0°109.5°
C33C32H32A108.7°109.5°
C32C33H33109.5°109.4°
C32C33H33A109.4°109.4°
C32C33H33B109.4°109.5°
H1C1H1A106.3°109.5°
H3C3H3A102.9°109.5°
H22C22H22A110.2°109.5°
H23C23H23A107.5°109.4°
H24C24H24A114.1°109.5°
H25C25H25A111.0°109.5°
H26C26H26A109.8°109.5°
H27C27H27A106.8°109.5°
H28C28H28A113.3°109.5°
H29C29H29A111.0°109.5°
H30C30H30A110.9°109.5°
H31C31H31A111.6°109.5°
H32C32H32A110.6°109.5°
H33C33H33A109.5°109.5°
H33C33H33B109.5°109.5°
H33AC33H33B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O21C21N2C22178.9°179.7°
O21C21N2C213.5°0.0°
O21C21C22C2372.1°0.0°
O21C21N2HN2166.6°180.0°
O21C21C22H22167.8°120.0°
O21C21C22H22A47.5°120.0°
C21N2C2HN2180.0°180.0°
C21N2C2C1145.1°85.0°
C21N2C2C398.0°155.0°
N2C21C22C23108.9°179.7°
C21N2C2H223.8°35.0°
N2C21C22H2211.2°60.3°
N2C21C22H22A131.5°59.7°
C22C21N2C2165.4°179.7°
C21C22C23H22120.0°120.0°
C21C22C23H22A119.6°120.0°
C21C22C23C24171.7°180.0°
C22C21N2HN214.5°0.3°
C21C22H22H22A119.6°120.1°
C21C22C23H2368.3°59.9°
C21C22C23H23A50.8°60.0°
N2C2C1C3116.9°120.0°
N2C2C1H2121.2°120.0°
N2C2C3H2121.2°120.0°
N2C2C1O158.5°65.0°
N2C2C3C454.5°65.0°
N2C2C1H1178.5°175.0°
N2C2C1H1A63.0°55.0°
N2C2C3H3174.5°175.0°
N2C2C3H3A68.6°55.0°
C1C2C3H2121.3°120.0°
C2C1O1H1120.0°120.0°
C2C1O1H1A121.6°120.0°
C1C2C3C4172.0°175.0°
C1C2N2HN234.9°95.0°
C2C1H1H1A121.7°119.9°
C2C1O1HO1177.2°180.0°
C1C2C3H368.0°55.1°
C1C2C3H3A48.9°65.0°
C3C2C1O158.4°55.0°
C2C3C4H3120.0°119.9°
C2C3C4H3A123.1°120.0°
C2C3C4C5121.1°175.0°
C2C3C4O481.2°65.0°
C3C2N2HN282.0°25.0°
C3C2C1H161.6°65.1°
C3C2C1H1A180.0°175.0°
C2C3H3H3A123.5°120.0°
C2C3C4H433.4°55.1°
O1C1C2H2179.8°175.0°
O1C1H1H1A121.7°120.0°
C3C4C5O4155.5°120.0°
C3C4C5H4101.3°119.9°
C3C4O4H4113.7°120.0°
C3C4C5C610.8°100.0°
C3C4C5C10160.3°80.4°
C4C3C2H266.7°55.0°
C4C3H3H3A123.6°120.0°
C3C4O4HO473.0°60.0°
C5C4O4H488.5°120.0°
C4C5C6C10170.8°179.7°
C4C5C6C7174.4°180.0°
C4C5C10C9175.5°179.8°
C5C4C3H3118.9°65.1°
C5C4C3H3A2.0°54.9°
C4C5C6H65.6°0.0°
C4C5C10H104.5°0.1°
C5C4O4HO484.8°60.0°
O4C4C5C6144.7°140.0°
O4C4C5C1044.2°39.7°
O4C4C3H338.8°55.0°
O4C4C3H3A155.7°175.0°
C5C6C7H6180.0°180.0°
C5C6C7C81.9°0.0°
C6C5C10C93.9°0.5°
C6C5C4H4112.1°20.0°
C5C6C7H7178.1°179.9°
C6C5C10H10176.1°179.8°
C10C5C6C73.7°0.3°
C5C10C9C82.1°0.5°
C5C10C9H10180.0°179.7°
C10C5C4H458.9°159.7°
C10C5C6H6176.3°179.7°
C5C10C9H9177.9°179.8°
C6C7C8H7180.0°179.9°
C6C7C8C90.1°0.1°
C6C7C8H8179.9°180.0°
C7C8C9H8180.0°180.0°
C7C8C9C100.3°0.2°
C8C7C6H6178.1°180.0°
C7C8C9H9179.8°179.9°
C8C9C10H9180.0°179.7°
C9C8C7H7179.8°180.0°
C8C9C10H10177.8°179.8°
C10C9C8H8179.7°179.8°
C22C23C24H23120.0°120.1°
C22C23C24H23A121.0°120.0°
C22C23C24C25179.8°180.0°
C23C22H22H22A119.6°119.9°
C22C23H23H23A121.1°119.9°
C22C23C24H2460.2°60.0°
C22C23C24H24A62.4°60.1°
C23C24C25H24120.0°120.0°
C23C24C25H24A117.4°119.9°
C23C24C25C2654.3°179.9°
C24C23C22H2251.7°59.9°
C24C23C22H22A68.6°60.0°
C24C23H23H23A121.0°120.0°
C23C24H24H24A117.6°120.0°
C23C24C25H25174.4°60.0°
C23C24C25H25A64.8°60.0°
C24C25C26H25120.0°120.0°
C24C25C26H25A119.2°120.0°
C24C25C26C27166.5°180.0°
C25C24C23H2359.8°60.0°
C25C24C23H23A59.2°60.0°
C25C24H24H24A117.6°119.9°
C24C25H25H25A119.2°119.9°
C24C25C26H2673.5°60.0°
C24C25C26H26A46.6°60.0°
C25C26C27H26120.0°120.0°
C25C26C27H26A119.8°120.0°
C25C26C27C28147.1°179.9°
C26C25C24H2465.7°60.0°
C26C25C24H24A171.7°60.0°
C26C25H25H25A119.2°120.1°
C25C26H26H26A119.8°120.0°
C25C26C27H2727.1°60.0°
C25C26C27H27A91.6°59.9°
C26C27C28H27120.0°120.0°
C26C27C28H27A121.3°120.0°
C26C27C28C29116.0°180.0°
C27C26C25H2546.5°60.0°
C27C26C25H25A74.4°60.0°
C27C26H26H26A119.8°120.0°
C26C27H27H27A121.4°119.9°
C26C27C28H284.0°60.0°
C26C27C28H28A126.2°60.0°
C27C28C29H28120.0°120.0°
C27C28C29H28A117.9°120.0°
C27C28C29C30166.6°179.9°
C28C27C26H2692.9°60.0°
C28C27C26H26A27.3°60.0°
C28C27H27H27A121.4°120.1°
C27C28H28H28A118.0°120.1°
C27C28C29H2973.4°60.0°
C27C28C29H29A47.5°60.0°
C28C29C30H29120.0°120.0°
C28C29C30H29A119.2°120.0°
C28C29C30C3196.3°180.0°
C29C28C27H27124.0°60.0°
C29C28C27H27A5.3°60.0°
C29C28H28H28A118.0°119.9°
C28C29H29H29A119.2°119.9°
C28C29C30H3023.8°60.0°
C28C29C30H30A144.5°60.0°
C29C30C31H30120.0°120.0°
C29C30C31H30A119.2°120.0°
C29C30C31C32144.8°179.9°
C30C29C28H2846.7°60.0°
C30C29C28H28A75.5°59.9°
C30C29H29H29A119.2°120.1°
C29C30H30H30A119.2°120.0°
C29C30C31H3124.8°60.0°
C29C30C31H31A96.3°60.0°
C30C31C32H31120.0°120.0°
C30C31C32H31A118.9°119.9°
C30C31C32C33147.4°180.0°
C31C30C29H29143.7°60.0°
C31C30C29H29A22.9°60.0°
C31C30H30H30A119.2°120.0°
C30C31H31H31A118.9°120.0°
C30C31C32H3292.6°60.0°
C30C31C32H32A28.0°60.0°
C31C32C33H32120.0°120.0°
C31C32C33H32A119.4°120.0°
C32C31C30H3095.1°60.0°
C32C31C30H30A25.6°60.0°
C32C31H31H31A118.9°120.0°
C31C32H32H32A119.4°120.0°
C31C32C33H33162.9°59.9°
C31C32C33H33A77.1°60.0°
C31C32C33H33B42.9°180.0°
C33C32C31H3127.4°60.0°
C33C32C31H31A93.7°60.1°
C33C32H32H32A119.4°120.0°
C32C33H33H33A120.0°119.9°
C32C33H33H33B120.0°120.0°
C32C33H33AH33B120.0°120.0°
HN2N2C2H2156.2°145.1°
H2C2C1H160.2°55.0°
H2C2C1H1A58.2°65.0°
H2C2C3H353.3°65.0°
H2C2C3H3A170.2°175.0°
H1C1O1HO157.2°60.0°
H1AC1O1HO161.2°60.0°
H3C3C4H4153.4°175.0°
H3AC3C4H489.7°65.0°
H4C4O4HO4173.3°180.0°
H6C6C7H71.9°0.1°
H7C7C8H80.2°0.1°
H8C8C9H90.3°0.0°
H9C9C10H102.2°0.1°
H22C22C23H23171.7°180.0°
H22C22C23H23A69.3°60.1°
H22AC22C23H2351.4°60.1°
H22AC22C23H23A170.4°180.0°
H23C23C24H24179.8°180.0°
H23C23C24H24A57.6°60.0°
H23AC23C24H2460.8°60.0°
H23AC23C24H24A176.6°179.9°
H24C24C25H2554.3°180.0°
H24C24C25H25A175.2°60.0°
H24AC24C25H2568.3°60.0°
H24AC24C25H25A52.6°180.0°
H25C25C26H26166.5°180.0°
H25C25C26H26A73.4°60.0°
H25AC25C26H2645.6°60.0°
H25AC25C26H26A165.8°180.0°
H26C26C27H27147.1°180.0°
H26C26C27H27A28.4°60.0°
H26AC26C27H2792.7°60.0°
H26AC26C27H27A148.6°180.0°
H27C27C28H28116.0°180.0°
H27C27C28H28A6.2°60.0°
H27AC27C28H28125.3°60.0°
H27AC27C28H28A112.5°NaN°
H28C28C29H29166.7°NaN°
H28C28C29H29A72.5°60.0°
H28AC28C29H2944.5°60.0°
H28AC28C29H29A165.3°180.0°
H29C29C30H3096.2°180.0°
H29C29C30H30A24.5°60.0°
H29AC29C30H30142.9°60.0°
H29AC29C30H30A96.3°180.0°
H30C30C31H31144.9°180.0°
H30C30C31H31A23.7°60.0°
H30AC30C31H3194.4°60.0°
H30AC30C31H31A144.5°180.0°
H31C31C32H32147.4°180.0°
H31C31C32H32A92.0°60.0°
H31AC31C32H3226.2°59.9°
H31AC31C32H32A146.9°179.9°
H32C32C33H3342.9°180.0°
H32C32C33H33A162.9°60.0°
H32C32C33H33B77.1°60.0°
H32AC32C33H3377.7°60.0°
H32AC32C33H33A42.3°180.0°
H32AC32C33H33B162.3°60.0°
H33C33H33AH33B120.0°120.1°

224931

PDB entries from 2024-09-11

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