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83H

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C4C5doub1.41Å1.49ÅAromatic
C4C3sing1.39Å1.39ÅAromatic
C4N7sing1.37Å1.35ÅAromatic
C5C6sing1.40Å1.39ÅAromatic
C5C9sing1.47Å1.47ÅAromatic
C6C1doub1.39Å1.38ÅAromatic
C7C9sing1.50Å1.51Å
C7C47sing1.50Å1.52Å
C8C9doub1.35Å1.48ÅAromatic
C8C10sing1.48Å1.50ÅAromatic
C8N7sing1.39Å1.35ÅAromatic
C10C11doub1.37Å1.48ÅAromatic
C10N13sing1.37Å1.35ÅAromatic
C11C12sing1.50Å1.51Å
C11C15sing1.40Å1.49ÅAromatic
C12C47sing1.50Å1.52Å
C15C48sing1.51Å1.50Å
C15N14doub1.31Å1.35ÅAromatic
O24C23doub1.21Å1.27Å
C23N16sing1.34Å1.35Å
C23C17sing1.51Å1.49Å
N16C27sing1.46Å1.46Å
N16C1sing1.40Å1.35Å
C27C28sing1.53Å1.51Å
C17C26sing1.53Å1.52Å
C17C25sing1.53Å1.52Å
C17C2sing1.51Å1.49Å
C2C3doub1.37Å1.39ÅAromatic
C2C1sing1.40Å1.49ÅAromatic
N14N13sing1.40Å1.40ÅAromatic
C6H6sing1.08Å1.08Å
C7H7sing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
C27H27sing1.09Å1.10Å
C27H27Asing1.09Å1.10Å
C28H28sing1.09Å1.10Å
C28H28Asing1.09Å1.10Å
C28H28Bsing1.09Å1.10Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C26H26Bsing1.09Å1.10Å
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
C25H25Bsing1.09Å1.10Å
C3H3sing1.08Å1.08Å
N7HN7sing0.97Å1.00Å
C47H47sing1.09Å1.10Å
C47H47Asing1.09Å1.10Å
C48H48sing1.09Å1.10Å
C48H48Asing1.09Å1.10Å
C48H48Bsing1.09Å1.10Å
N13HN13sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C5C4C3118.7°119.2°
C5C4N7108.4°107.3°
C4C5C6122.0°120.4°
C4C5C9108.1°106.4°
C3C4N7132.9°133.5°
C4C3C2119.6°119.9°
C4C3H3120.2°120.1°
C4N7C8109.0°110.1°
C4N7HN7125.5°124.9°
C6C5C9129.9°133.2°
C5C6C1118.8°119.7°
C5C6H6120.6°120.1°
C5C9C7127.4°124.3°
C5C9C8100.1°107.1°
C6C1N16132.0°130.5°
C6C1C2120.2°119.4°
C1C6H6120.6°120.2°
C9C7C47110.4°113.8°
C7C9C8132.5°128.7°
C9C7H7109.2°108.6°
C9C7H7A109.0°108.6°
C7C47C12110.0°114.5°
C47C7H7109.2°108.6°
C47C7H7A109.0°108.6°
C7C47H47109.3°108.5°
C7C47H47A109.2°108.5°
C9C8C10125.0°128.4°
C9C8N7114.4°109.1°
C10C8N7120.4°122.6°
C8C10C11125.1°129.4°
C8C10N13121.9°123.4°
C8N7HN7125.5°125.0°
C11C10N13112.6°107.2°
C10C11C12130.2°128.2°
C10C11C15101.7°107.5°
C10N13N14104.8°107.8°
C10N13HN13127.6°126.1°
C12C11C15128.0°124.3°
C11C12C47111.2°113.4°
C11C12H12108.9°108.7°
C11C12H12A108.5°108.7°
C11C15C48126.8°125.6°
C11C15N14106.5°108.8°
C47C12H12108.9°108.7°
C47C12H12A108.5°108.7°
C12C47H47109.3°108.5°
C12C47H47A109.2°108.5°
C48C15N14126.7°125.6°
C15C48H48109.5°109.5°
C15C48H48A109.5°109.5°
C15C48H48B109.5°109.4°
C15N14N13114.3°108.7°
O24C23N16121.4°126.4°
O24C23C17121.5°126.3°
N16C23C17117.1°107.3°
C23N16C27126.8°123.9°
C23N16C1108.2°112.3°
C23C17C26107.9°110.5°
C23C17C25114.4°110.5°
C23C17C296.4°104.1°
C27N16C1124.9°123.9°
N16C27C28108.7°109.5°
N16C27H27109.7°109.5°
N16C27H27A109.9°109.5°
N16C1C2107.8°110.1°
C28C27H27109.7°109.4°
C28C27H27A109.9°109.4°
C27C28H28109.5°109.4°
C27C28H28A109.5°109.5°
C27C28H28B109.4°109.5°
C26C17C25111.0°110.5°
C26C17C2116.0°110.5°
C17C26H26109.5°109.5°
C17C26H26A109.5°109.4°
C17C26H26B109.4°109.5°
C25C17C2110.4°110.6°
C17C25H25109.5°109.5°
C17C25H25A109.4°109.5°
C17C25H25B109.5°109.4°
C17C2C3128.8°132.4°
C17C2C1110.5°106.2°
C3C2C1120.7°121.4°
C2C3H3120.2°120.0°
N14N13HN13127.6°126.1°
H7C7H7A110.2°108.4°
H12C12H12A110.9°108.5°
H27C27H27A108.9°109.5°
H28C28H28A109.5°109.4°
H28C28H28B109.4°109.5°
H28AC28H28B109.5°109.5°
H26C26H26A109.4°109.5°
H26C26H26B109.5°109.5°
H26AC26H26B109.5°109.5°
H25C25H25A109.5°109.5°
H25C25H25B109.5°109.5°
H25AC25H25B109.5°109.5°
H47C47H47A109.9°108.3°
H48C48H48A109.4°109.5°
H48C48H48B109.5°109.4°
H48AC48H48B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C5C4C3N7180.0°179.6°
C4C5C6C9179.8°179.8°
C4C5C6C10.3°0.4°
C4C5C9C7179.5°179.3°
C4C5C9C81.1°0.4°
C5C4N7C81.7°0.0°
C5C4C3C20.2°0.0°
C4C5C6H6179.7°179.6°
C5C4C3H3179.8°180.0°
C5C4N7HN7178.3°179.7°
C3C4C5C60.4°0.4°
C3C4C5C9179.7°179.5°
C3C4N7C8178.2°179.6°
C4C3C2C17179.2°179.8°
C4C3C2H3180.0°179.9°
C4C3C2C10.2°0.2°
C3C4N7HN71.8°0.7°
N7C4C5C6179.6°179.9°
N7C4C5C90.3°0.2°
C4N7C8C92.7°0.3°
C4N7C8C10177.2°179.8°
C4N7C8HN7180.0°179.7°
N7C4C3C2179.9°179.6°
N7C4C3H30.1°0.4°
C5C6C1H6180.0°180.0°
C6C5C9C70.6°0.5°
C6C5C9C8179.0°179.8°
C5C6C1N16179.4°179.9°
C5C6C1C20.1°0.2°
C9C5C6C1179.9°179.3°
C5C9C7C8177.9°179.6°
C5C9C7C47143.1°147.1°
C5C9C8C10176.6°179.7°
C5C9C8N72.3°0.4°
C9C5C6H60.1°0.6°
C5C9C7H723.1°91.8°
C5C9C7H7A97.2°25.9°
C6C1N16C23178.6°179.9°
C6C1N16C270.9°0.1°
C6C1N16C2179.5°179.9°
C6C1C2C17179.5°179.9°
C6C1C2C30.3°0.1°
C9C7C47H7120.0°121.1°
C9C7C47H7A119.6°121.2°
C7C9C8C105.2°0.7°
C7C9C8N7179.4°179.2°
C9C7C47C1282.1°76.7°
C9C7H7H7A119.6°117.9°
C9C7C47H4737.9°162.0°
C9C7C47H47A158.1°44.6°
C47C7C9C839.0°33.4°
C7C47C12C1185.2°76.1°
C7C47C12H47120.0°121.3°
C7C47C12H47A119.8°121.3°
C47C7H7H7A119.6°117.8°
C7C47C12H1234.8°162.8°
C7C47C12H12A155.5°44.9°
C7C47H47H47A119.8°117.6°
C9C8C10N7173.9°179.9°
C9C8C10C110.1°0.1°
C9C8C10N13171.6°179.9°
C8C9C7H7159.0°87.8°
C8C9C7H7A80.6°154.5°
C9C8N7HN7177.3°180.0°
C8C10C11N13172.4°179.9°
C8C10C11C126.7°0.6°
C8C10C11C15175.5°179.6°
C8C10N13N14175.4°179.7°
C10C8N7HN72.8°0.1°
C8C10N13HN134.6°0.2°
N7C8C10C11174.0°180.0°
N7C8C10N132.3°0.2°
C10C11C12C15177.3°179.7°
C10C11C12C4742.8°32.9°
C10C11C15C48178.3°179.8°
C10C11C15N142.1°0.2°
C11C10N13N142.8°0.3°
C10C11C12H1277.2°153.9°
C10C11C12H12A162.0°88.1°
C11C10N13HN13177.3°179.8°
N13C10C11C12179.1°179.5°
N13C10C11C153.1°0.3°
C10N13N14C151.3°0.2°
C10N13N14HN13180.0°179.9°
C11C12C47H12120.0°121.0°
C11C12C47H12A119.2°121.0°
C12C11C15C480.5°0.4°
C12C11C15N14180.0°179.6°
C11C12H12H12A119.3°118.1°
C11C12C47H4734.8°162.5°
C11C12C47H47A155.0°45.2°
C15C11C12C47140.0°147.4°
C11C15C48N14179.5°180.0°
C11C15N14N130.6°0.0°
C15C11C12H12100.1°26.4°
C15C11C12H12A20.7°91.6°
C11C15C48H4821.0°90.0°
C11C15C48H48A141.0°150.0°
C11C15C48H48B99.0°30.0°
C12C47C7H7157.9°44.5°
C12C47C7H7A37.5°162.1°
C47C12H12H12A119.3°118.1°
C12C47H47H47A119.8°117.5°
C48C15N14N13179.8°180.0°
C15C48H48H48A120.0°120.1°
C15C48H48H48B120.0°120.0°
C15C48H48AH48B120.0°120.0°
N14C15C48H48159.5°90.0°
N14C15C48H48A39.5°30.0°
N14C15C48H48B80.5°150.0°
C15N14N13HN13178.7°179.9°
O24C23N16C17177.2°179.9°
O24C23N16C271.8°0.2°
O24C23N16C1178.7°179.8°
O24C23C17C2658.5°61.5°
O24C23C17C2565.7°61.1°
O24C23C17C2178.5°179.9°
C23N16C27C1179.4°179.9°
C23N16C27C28107.9°90.0°
N16C23C17C26118.7°118.6°
N16C23C17C25117.1°118.8°
N16C23C17C21.2°0.0°
C23N16C1C20.9°0.3°
C23N16C27H2712.2°150.0°
C23N16C27H27A131.8°29.9°
C17C23N16C27179.1°179.9°
C17C23N16C11.4°0.2°
C23C17C26C25126.2°122.6°
C23C17C26C2106.7°114.7°
C23C17C25C2107.4°114.8°
C23C17C2C3178.5°179.9°
C23C17C2C10.6°0.1°
C23C17C26H2698.0°61.5°
C23C17C26H26A142.0°178.5°
C23C17C26H26B22.0°58.5°
C23C17C25H2549.7°58.5°
C23C17C25H25A169.7°178.6°
C23C17C25H25B70.3°61.5°
N16C27C28H27120.0°120.0°
N16C27C28H27A120.3°120.0°
C27N16C1C2179.6°179.8°
N16C27H27H27A120.3°120.1°
N16C27C28H28113.0°59.9°
N16C27C28H28A7.0°60.0°
N16C27C28H28B127.1°180.0°
C1N16C27C2871.6°90.1°
N16C1C2C170.1°0.2°
N16C1C2C3179.3°179.8°
N16C1C6H60.6°0.0°
C1N16C27H27168.4°29.9°
C1N16C27H27A48.8°150.0°
C28C27H27H27A120.3°119.9°
C27C28H28H28A120.0°119.9°
C27C28H28H28B119.9°120.0°
C27C28H28AH28B120.0°120.1°
C26C17C25C2130.1°122.6°
C26C17C2C368.0°61.2°
C26C17C2C1112.9°118.8°
C17C26H26H26A120.0°120.0°
C17C26H26H26B120.0°120.0°
C17C26H26AH26B120.0°120.0°
C26C17C25H25172.2°178.9°
C26C17C25H25A67.8°58.9°
C26C17C25H25B52.2°61.1°
C25C17C2C359.4°61.4°
C25C17C2C1119.7°118.6°
C25C17C26H2628.2°61.1°
C25C17C26H26A91.8°58.9°
C25C17C26H26B148.2°178.9°
C17C25H25H25A120.0°120.0°
C17C25H25H25B120.0°120.0°
C17C25H25AH25B120.0°120.0°
C17C2C3C1179.0°180.0°
C2C17C26H26155.3°176.2°
C2C17C26H26A35.3°63.8°
C2C17C26H26B84.7°56.2°
C2C17C25H2557.7°56.3°
C2C17C25H25A62.3°63.8°
C2C17C25H25B177.8°176.3°
C17C2C3H30.8°0.2°
C2C1C6H6179.9°179.9°
C1C2C3H3179.8°179.8°
H7C7C47H4782.1°76.9°
H7C7C47H47A38.1°165.7°
H7AC7C47H47157.5°40.8°
H7AC7C47H47A82.3°76.6°
H12C12C47H47154.8°41.5°
H12C12C47H47A85.0°75.9°
H12AC12C47H4784.5°76.5°
H12AC12C47H47A35.8°166.2°
H27C27C28H28127.0°179.9°
H27C27C28H28A113.0°60.0°
H27C27C28H28B7.1°60.0°
H27AC27C28H287.4°60.1°
H27AC27C28H28A127.4°180.0°
H27AC27C28H28B112.6°60.0°
H28C28H28AH28B120.0°120.0°
H26C26H26AH26B120.0°120.0°
H25C25H25AH25B120.0°120.0°
H48C48H48AH48B120.0°119.9°

222415

PDB entries from 2024-07-10

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