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PRD_000604

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2C3sing1.55Å1.52Å
C2C1sing1.54Å1.52Å
C24N23sing1.47Å1.47Å
C24C25sing1.51Å1.54Å
C3C4sing1.55Å1.52Å
N23C7sing1.35Å1.30Å
C26C25doub1.38Å1.38ÅAromatic
C26C27sing1.38Å1.42ÅAromatic
C7C1sing1.51Å1.50Å
C7O22doub1.21Å1.21Å
C25C30sing1.38Å1.39ÅAromatic
C1N1sing1.47Å1.45Å
C4N1sing1.48Å1.54Å
C27C28doub1.39Å1.39ÅAromatic
N1C14sing1.35Å1.35Å
C30C29doub1.38Å1.44ÅAromatic
C28C29sing1.40Å1.37ÅAromatic
C28C21sing1.48Å1.53Å
C14O32doub1.21Å1.22Å
C14C5sing1.51Å1.52Å
N46C21sing1.38Å1.33Å
C21N47doub1.30Å1.33Å
C5O21sing1.43Å1.39Å
O21C44sing1.43Å1.41Å
C45C44sing1.55Å1.59Å
C45C47sing1.55Å1.56Å
C44C49sing1.54Å1.55Å
C49C48sing1.54Å1.53Å
C47C48sing1.54Å1.50Å
C5H5sing1.09Å1.10Å
C5H5Asing1.09Å1.10Å
C44H44sing1.09Å1.10Å
C49H49sing1.09Å1.10Å
C49H49Asing1.09Å1.10Å
C48H48sing1.09Å1.10Å
C48H48Asing1.09Å1.10Å
C47H47sing1.09Å1.10Å
C47H47Asing1.09Å1.10Å
C45H45sing1.09Å1.10Å
C45H45Asing1.09Å1.10Å
C1H1sing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
C4H4sing1.09Å1.10Å
C4H4Asing1.09Å1.10Å
N23HN23sing0.97Å1.00Å
C24H24sing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
C26H26sing1.08Å1.08Å
C27H27sing1.08Å1.08Å
N46HN46sing0.97Å1.00Å
N46HN4Asing0.97Å1.00Å
N47HN47sing0.97Å1.00Å
C29H29sing1.08Å1.08Å
C30H30sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C3C2C1109.4°103.0°
C2C3C4106.2°101.5°
C3C2H2109.5°110.7°
C3C2H2A109.5°110.7°
C2C3H3110.6°111.1°
C2C3H3A110.6°111.0°
C2C1C7109.0°110.0°
C2C1N1102.6°107.3°
C2C1H1113.0°109.9°
C1C2H2109.5°110.6°
C1C2H2A109.5°110.9°
N23C24C25102.3°109.5°
C24N23C7126.6°120.0°
C24N23HN23116.7°120.0°
N23C24H24111.9°109.5°
N23C24H24A111.9°109.5°
C24C25C26123.5°119.9°
C24C25C30127.7°119.9°
C25C24H24111.9°109.5°
C25C24H24A111.9°109.5°
C3C4N1100.9°104.7°
C4C3H3110.6°111.2°
C4C3H3A110.5°110.8°
C3C4H4112.4°110.4°
C3C4H4A112.4°110.4°
N23C7C1115.1°120.0°
N23C7O22120.3°120.0°
C7N23HN23116.7°120.0°
C25C26C27125.6°120.1°
C26C25C30108.8°120.2°
C25C26H26117.2°119.9°
C26C27C28126.5°119.9°
C27C26H26117.2°120.0°
C26C27H27116.8°120.0°
C1C7O22124.5°120.0°
C7C1N1105.9°109.9°
C7C1H1110.1°109.9°
C25C30C29124.4°120.2°
C25C30H30117.8°119.9°
C1N1C4114.1°108.7°
C1N1C14121.4°125.7°
N1C1H1115.7°109.9°
C4N1C14122.9°125.6°
N1C4H4112.4°110.7°
N1C4H4A112.4°110.2°
C27C28C29107.8°119.7°
C27C28C21123.9°120.2°
C28C27H27116.7°120.1°
N1C14O32119.0°120.0°
N1C14C5129.7°120.0°
C30C29C28127.0°119.8°
C30C29H29116.5°120.1°
C29C30H30117.8°119.9°
C29C28C21128.4°120.1°
C28C29H29116.6°120.1°
C28C21N46114.2°120.0°
C28C21N47122.1°120.0°
O32C14C5111.3°120.0°
C14C5O21113.2°109.5°
C14C5H5108.3°109.5°
C14C5H5A108.2°109.5°
N46C21N47123.7°120.0°
C21N46HN46120.0°120.0°
C21N46HN4A120.0°120.0°
C21N47HN47112.0°120.0°
C5O21C44134.0°114.0°
O21C5H5108.2°109.4°
O21C5H5A108.3°109.5°
O21C44C45114.7°110.5°
O21C44C49104.4°110.5°
O21C44H44106.3°110.4°
C44C45C47105.4°102.8°
C45C44C4997.3°104.2°
C45C44H44112.4°110.6°
C44C45H45110.8°110.7°
C44C45H45A110.9°110.8°
C45C47C48104.4°104.2°
C45C47H47111.2°110.5°
C45C47H47A111.2°110.6°
C47C45H45110.9°110.8°
C47C45H45A110.9°110.8°
C44C49C48108.5°106.6°
C49C44H44121.7°110.4°
C44C49H49109.8°110.1°
C44C49H49A109.8°110.1°
C49C48C47107.3°106.6°
C48C49H49109.8°110.0°
C48C49H49A109.8°110.0°
C49C48H48110.2°110.1°
C49C48H48A110.2°110.0°
C47C48H48110.2°110.0°
C47C48H48A110.2°110.1°
C48C47H47111.2°110.5°
C48C47H47A111.2°110.5°
H5C5H5A110.7°109.5°
H49C49H49A109.1°110.0°
H48C48H48A108.7°110.0°
H47C47H47A107.7°110.5°
H45C45H45A108.1°110.7°
H2C2H2A109.5°110.8°
H3C3H3A108.4°110.9°
H4C4H4A106.4°110.4°
H24C24H24A106.9°109.4°
HN46N46HN4A120.0°119.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C3C2C1H2120.0°118.3°
C3C2C1H2A120.0°118.4°
C2C3C4H3120.0°118.2°
C2C3C4H3A120.0°118.0°
C3C2C1C7105.3°97.3°
C3C2C1N16.6°22.2°
C2C3C4N125.2°37.3°
C3C2C1H1132.0°141.6°
C3C2H2H2A120.0°123.2°
C2C3H3H3A121.4°124.0°
C2C3C4H4145.1°81.8°
C2C3C4H4A94.8°155.8°
C1C2C3C421.1°35.7°
C2C1C7N2389.6°62.1°
C2C1C7N1109.8°117.9°
C2C1C7H1124.4°121.1°
C2C1C7O2288.2°117.8°
C2C1N1H1123.5°119.4°
C2C1N1C410.6°1.3°
C2C1N1C14176.6°179.0°
C1C2H2H2A120.0°123.4°
C1C2C3H398.9°82.6°
C1C2C3H3A141.1°153.5°
N23C24C25H24120.0°120.0°
N23C24C25H24A120.0°120.0°
C24N23C7HN23180.0°180.0°
N23C24C25C26121.6°89.7°
C24N23C7C1166.5°180.0°
C24N23C7O2211.4°0.1°
N23C24C25C3058.4°90.0°
N23C24H24H24A122.9°120.0°
C25C24N23C7110.4°180.0°
C24C25C26C30179.9°179.7°
C24C25C26C27180.0°180.0°
C24C25C30C29180.0°179.7°
C25C24N23HN2369.6°0.0°
C25C24H24H24A122.9°120.0°
C24C25C26H260.1°0.0°
C24C25C30H300.0°0.0°
C3C4N1C123.0°24.4°
C3C4N1H4120.0°118.9°
C3C4N1H4A120.0°118.7°
C3C4N1C14171.2°155.8°
C4C3C2H298.9°153.9°
C4C3C2H2A141.1°82.9°
C4C3H3H3A121.3°123.8°
C3C4H4H4A123.5°122.3°
N23C7C1O22177.8°179.9°
N23C7C1N1160.7°180.0°
N23C7C1H134.9°59.0°
C7N23C24H24129.6°60.0°
C7N23C24H24A9.6°60.0°
C25C26C27H26180.0°180.0°
C25C26C27C280.1°0.0°
C26C25C30C290.1°0.6°
C26C25C24H241.6°150.2°
C26C25C24H24A118.5°30.3°
C25C26C27H27179.9°180.0°
C26C25C30H30179.9°179.8°
C27C26C25C300.0°0.3°
C26C27C28H27180.0°180.0°
C26C27C28C290.1°0.0°
C26C27C28C21180.0°180.0°
C7C1N1H1122.2°121.0°
C7C1N1C4124.8°120.9°
C7C1N1C1469.2°59.4°
C7C1C2H2134.7°21.0°
C7C1C2H2A14.7°144.3°
C1C7N23HN2313.6°0.0°
O22C7C1N121.6°0.1°
O22C7C1H1147.3°121.1°
O22C7N23HN23168.6°180.0°
C25C30C29H30180.0°179.7°
C25C30C29C280.0°0.6°
C30C25C24H24178.4°30.0°
C30C25C24H24A61.6°150.0°
C30C25C26H26180.0°179.7°
C25C30C29H29180.0°179.7°
C1N1C4C14165.8°179.7°
C1N1C14O3215.0°0.0°
C1N1C14C5165.2°179.7°
N1C1C2H2113.3°140.5°
N1C1C2H2A126.6°96.2°
C1N1C4H4143.0°94.5°
C1N1C4H4A97.0°143.1°
C4N1C14O32179.8°179.7°
C4N1C14C50.5°0.6°
C4N1C1H1113.0°118.1°
N1C4C3H394.8°80.9°
N1C4C3H3A145.2°155.3°
N1C4H4H4A123.5°122.2°
C27C28C29C300.1°0.3°
C27C28C29C21179.9°180.0°
C27C28C21N4630.1°180.0°
C27C28C21N47150.0°0.0°
C28C27C26H26179.9°180.0°
C27C28C29H29180.0°180.0°
N1C14O32C5179.8°179.7°
N1C14C5O2152.8°179.7°
N1C14C5H5172.8°59.7°
N1C14C5H5A67.2°60.3°
C14N1C1H153.1°61.6°
C14N1C4H451.2°85.2°
C14N1C4H4A68.8°37.1°
C30C29C28H29180.0°179.7°
C30C29C28C21180.0°179.7°
C29C28C21N46149.8°0.0°
C29C28C21N4730.2°180.0°
C29C28C27H27179.9°180.0°
C28C29C30H30180.0°179.7°
C28C21N46N47179.9°180.0°
C21C28C27H270.0°0.0°
C28C21N46HN46179.9°0.0°
C28C21N46HN4A0.1°179.9°
C28C21N47HN47179.9°180.0°
C21C28C29H290.1°0.0°
O32C14C5O21127.4°0.0°
O32C14C5H57.4°120.0°
O32C14C5H5A112.6°120.0°
C14C5O21H5120.0°120.0°
C14C5O21H5A120.0°120.1°
C14C5O21C44104.4°180.0°
C14C5H5H5A118.5°120.0°
C21N46HN46HN4A180.0°179.9°
N46C21N47HN470.0°0.0°
N47C21N46HN460.0°180.0°
N47C21N46HN4A180.0°0.0°
C5O21C44C45149.1°95.2°
C5O21C44C4943.9°150.0°
O21C5H5H5A118.5°120.0°
C5O21C44H4485.9°27.5°
O21C44C45C49109.6°118.7°
O21C44C45H44121.6°122.6°
O21C44C45C47150.0°156.6°
O21C44C49H44119.9°122.5°
O21C44C49C48153.2°142.3°
C44O21C5H515.6°60.0°
C44O21C5H5A135.6°59.9°
O21C44C49H4933.2°23.0°
O21C44C49H49A86.8°98.4°
O21C44C45H4590.0°85.0°
O21C44C45H45A30.0°38.2°
C44C45C47H45120.0°118.3°
C44C45C47H45A120.0°118.4°
C45C44C49H44122.1°118.8°
C45C44C49C4835.3°23.6°
C44C45C47C4832.0°37.9°
C45C44C49H4984.7°95.7°
C45C44C49H49A155.3°142.9°
C44C45C47H4788.0°156.6°
C44C45C47H47A152.0°80.8°
C44C45H45H45A121.7°123.3°
C47C45C44C4940.5°38.0°
C45C47C48C499.2°23.6°
C45C47C48H47120.0°118.7°
C45C47C48H47A120.0°118.8°
C47C45C44H4488.3°80.7°
C45C47C48H48110.9°95.7°
C45C47C48H48A129.2°142.9°
C45C47H47H47A122.0°122.7°
C47C45H45H45A121.7°123.3°
C44C49C48H49120.0°119.3°
C44C49C48H49A120.0°119.3°
C44C49C48C4717.6°0.0°
C44C49H49H49A120.4°121.5°
C44C49C48H48137.7°119.3°
C44C49C48H48A102.3°119.4°
C49C44C45H45160.5°156.3°
C49C44C45H45A79.5°80.4°
C49C48C47H48120.0°119.3°
C49C48C47H48A120.0°119.3°
C48C49C44H4486.9°95.2°
C48C49H49H49A120.4°121.4°
C49C48H48H48A120.9°121.4°
C49C48C47H47110.9°142.2°
C49C48C47H47A129.1°95.2°
C47C48C49H49102.4°119.3°
C47C48C49H49A137.6°119.3°
C47C48H48H48A120.9°121.5°
C48C47H47H47A122.0°122.5°
C48C47C45H45152.0°156.3°
C48C47C45H45A88.0°80.4°
H44C44C49H49153.1°145.5°
H44C44C49H49A33.1°24.1°
H44C44C45H4531.7°37.6°
H44C44C45H45A151.7°160.9°
H49C49C48H4817.7°0.1°
H49C49C48H48A137.7°121.3°
H49AC49C48H48102.3°121.4°
H49AC49C48H48A17.7°0.1°
H48C48C47H47129.1°23.0°
H48C48C47H47A9.1°145.5°
H48AC48C47H479.1°98.4°
H48AC48C47H47A110.8°24.1°
H47C47C45H4532.0°85.1°
H47C47C45H45A152.0°38.2°
H47AC47C45H4588.0°37.6°
H47AC47C45H45A32.0°160.8°
H1C1C2H212.0°100.1°
H1C1C2H2A108.0°23.2°
H2C2C3H3141.1°35.7°
H2C2C3H3A21.1°88.2°
H2AC2C3H321.1°158.9°
H2AC2C3H3A99.0°35.0°
H3C3C4H425.2°160.0°
H3C3C4H4A145.2°37.7°
H3AC3C4H494.8°36.2°
H3AC3C4H4A25.2°86.2°
HN23N23C24H2450.4°120.0°
HN23N23C24H24A170.4°120.0°
H26C26C27H270.1°0.0°
H29C29C30H300.0°0.0°

224931

PDB entries from 2024-09-11

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