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JRC

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1O2doub1.22Å1.21Å
C1N3sing1.35Å1.35Å
C1C5sing1.48Å1.48Å
N3C32sing1.47Å1.48Å
N3C28sing1.47Å1.49Å
C4C8sing1.47Å1.48Å
C4C5doub1.39Å1.40ÅAromatic
C4N12sing1.36Å1.36ÅAromatic
C5C15sing1.41Å1.38ÅAromatic
C6C11sing1.41Å1.42ÅAromatic
C6N7doub1.33Å1.34ÅAromatic
C6N9sing1.37Å1.39ÅAromatic
N7C10sing1.34Å1.34ÅAromatic
C8N17sing1.35Å1.34Å
C8O20doub1.22Å1.21Å
N9C14sing1.37Å1.38ÅAromatic
N9C18sing1.37Å1.35ÅAromatic
C10C14doub1.36Å1.36ÅAromatic
C10C21sing1.48Å1.45Å
C11C16doub1.37Å1.37ÅAromatic
N12N13sing1.40Å1.38ÅAromatic
N12C22sing1.47Å1.48Å
N13C15doub1.31Å1.30ÅAromatic
C16N17sing1.39Å1.40Å
C16C19sing1.41Å1.43ÅAromatic
C18C19doub1.35Å1.39ÅAromatic
C21C24doub1.39Å1.39ÅAromatic
C21C23sing1.39Å1.38ÅAromatic
C23C25doub1.38Å1.39ÅAromatic
C24C26sing1.38Å1.38ÅAromatic
C25C27sing1.38Å1.38ÅAromatic
C26C27doub1.38Å1.38ÅAromatic
C28C29sing1.54Å1.56Å
C28C30sing1.53Å1.51Å
C29C31sing1.55Å1.57Å
C31C32sing1.55Å1.54Å
C15H1sing1.08Å1.08Å
C22H2sing1.09Å1.10Å
C22H3sing1.09Å1.10Å
C22H4sing1.09Å1.10Å
C24H5sing1.08Å1.08Å
C26H6sing1.08Å1.08Å
C28H7sing1.09Å1.10Å
C11H8sing1.08Å1.08Å
C14H9sing1.08Å1.08Å
N17H10sing0.97Å1.00Å
C18H11sing1.08Å1.08Å
C19H12sing1.08Å1.08Å
C23H13sing1.08Å1.08Å
C25H14sing1.08Å1.08Å
C27H15sing1.08Å1.08Å
C29H16sing1.09Å1.10Å
C29H17sing1.09Å1.10Å
C30H18sing1.09Å1.10Å
C30H19sing1.09Å1.10Å
C30H20sing1.09Å1.10Å
C31H21sing1.09Å1.10Å
C31H22sing1.09Å1.10Å
C32H23sing1.09Å1.10Å
C32H24sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2C1N3121.3°120.0°
O2C1C5120.7°120.0°
N3C1C5117.9°120.0°
C1N3C32120.7°125.7°
C1N3C28130.2°125.6°
C1C5C4129.5°126.4°
C1C5C15123.8°126.4°
C32N3C28108.9°108.7°
N3C32C31101.0°104.9°
N3C32H23111.6°110.4°
N3C32H24111.5°110.4°
N3C28C29104.3°107.3°
N3C28C30115.0°109.9°
N3C28H7109.9°109.9°
C8C4C5126.6°126.5°
C8C4N12126.3°126.6°
C4C8N17117.0°120.0°
C4C8O20121.9°120.0°
C5C4N12106.9°106.9°
C4C5C15106.7°107.2°
C4N12N13107.8°108.2°
C4N12C22127.0°125.9°
C5C15N13108.9°108.5°
C5C15H1125.6°125.7°
C11C6N7129.5°132.0°
C11C6N9122.6°119.7°
C6C11C16117.2°119.3°
C6C11H8121.4°120.3°
N7C6N9107.9°108.3°
C6N7C10108.6°109.1°
C6N9C14107.4°107.2°
C6N9C18120.3°120.5°
N7C10C14110.1°108.4°
N7C10C21124.1°125.8°
N17C8O20121.1°120.0°
C8N17C16125.7°120.0°
C8N17H10117.2°120.0°
C14N9C18132.1°132.3°
N9C14C10105.9°107.1°
N9C14H9127.1°126.5°
N9C18C19118.4°120.8°
N9C18H11120.8°119.7°
C14C10C21125.7°125.8°
C10C14H9127.0°126.5°
C10C21C24119.8°120.1°
C10C21C23119.1°120.1°
C11C16N17121.0°120.2°
C11C16C19119.4°119.5°
C16C11H8121.4°120.4°
N13N12C22125.3°125.9°
N12N13C15109.7°109.1°
N12C22H2109.5°109.5°
N12C22H3109.5°109.4°
N12C22H4109.5°109.5°
N13C15H1125.6°125.8°
N17C16C19119.6°120.3°
C16N17H10117.1°120.0°
C16C19C18122.1°120.2°
C16C19H12118.9°119.9°
C19C18H11120.8°119.6°
C18C19H12118.9°119.9°
C24C21C23120.9°119.8°
C21C24C26119.9°119.9°
C21C24H5120.0°120.0°
C21C23C25118.0°119.8°
C21C23H13121.0°120.1°
C23C25C27121.6°120.1°
C25C23H13121.0°120.1°
C23C25H14119.2°119.9°
C24C26C27119.4°120.1°
C26C24H5120.0°120.1°
C24C26H6120.3°119.9°
C25C27C26120.0°120.3°
C27C25H14119.2°120.0°
C25C27H15120.0°119.8°
C27C26H6120.3°119.9°
C26C27H15120.0°119.9°
C29C28C30108.9°109.8°
C28C29C3199.2°102.9°
C29C28H7108.9°109.9°
C28C29H16112.0°110.7°
C28C29H17112.0°110.7°
C30C28H7109.5°110.0°
C28C30H18109.5°109.4°
C28C30H19109.5°109.5°
C28C30H20109.5°109.5°
C29C31C3298.6°101.6°
C31C29H16112.0°110.7°
C31C29H17112.0°110.7°
C29C31H21112.1°111.0°
C29C31H22112.1°111.0°
C32C31H21112.1°111.0°
C32C31H22112.1°111.0°
C31C32H23111.5°110.3°
C31C32H24111.5°110.4°
H2C22H3109.5°109.5°
H2C22H4109.5°109.5°
H3C22H4109.5°109.5°
H16C29H17109.4°110.8°
H18C30H19109.5°109.5°
H18C30H20109.5°109.5°
H19C30H20109.5°109.5°
H21C31H22109.5°110.9°
H23C32H24109.5°110.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2C1N3C5177.8°180.0°
O2C1N3C32178.3°174.5°
O2C1N3C284.9°5.8°
O2C1C5C443.8°24.5°
O2C1C5C15137.8°155.5°
C1N3C32C28174.7°179.7°
N3C1C5C4138.4°155.5°
N3C1C5C1540.0°24.5°
C1N3C28C29176.2°179.2°
C1N3C28C3064.6°61.4°
C1N3C32C31145.0°156.2°
C1N3C28H759.6°59.8°
C1N3C32H2326.4°37.3°
C1N3C32H2496.4°85.0°
C5C1N3C323.9°5.5°
C5C1N3C28177.3°174.2°
C1C5C4C83.4°0.1°
C1C5C4C15178.6°180.0°
C1C5C4N12179.4°179.7°
C1C5C15N13179.5°179.8°
C1C5C15H10.5°0.0°
C32N3C28C292.2°1.0°
C32N3C28C30121.4°118.3°
N3C32C31C2949.0°37.0°
N3C32C31H23118.7°118.8°
N3C32C31H24118.6°118.8°
C32N3C28H7114.4°120.5°
N3C32C31H21167.2°155.1°
N3C32C31H2269.2°81.1°
N3C32H23H24123.9°122.3°
N3C28C29C30123.3°119.4°
N3C28C29H7117.3°119.5°
N3C28C30H7124.4°121.2°
N3C28C29C3132.3°22.2°
C28N3C32C3129.7°24.1°
N3C28C29H1686.0°96.1°
N3C28C29H17150.6°140.5°
N3C28C30H18180.0°60.0°
N3C28C30H1960.0°180.0°
N3C28C30H2060.0°60.0°
C28N3C32H23148.3°142.9°
C28N3C32H2488.9°94.7°
C8C4C5N12176.0°179.7°
C8C4C5C15178.1°180.0°
C4C8N17O20176.8°180.0°
C8C4N12N13177.6°180.0°
C8C4N12C222.7°0.0°
C4C8N17C16179.8°174.7°
C4C8N17H100.2°5.3°
C5C4C8N1733.5°99.9°
C5C4C8O20149.7°80.1°
C5C4N12N131.5°0.3°
C5C4N12C22178.8°179.7°
C4C5C15N131.8°0.2°
C4C5C15H1178.1°180.0°
N12C4C5C152.1°0.3°
N12C4C8N17141.8°79.8°
N12C4C8O2035.0°100.2°
C4N12N13C22179.7°180.0°
C4N12N13C150.4°0.2°
C4N12C22H2179.6°95.0°
C4N12C22H359.6°145.0°
C4N12C22H460.3°25.0°
C5C15N13N120.9°0.0°
C5C15N13H1180.0°179.8°
C11C6N7N9179.5°179.6°
C11C6N7C10179.9°180.0°
C11C6N9C14178.8°180.0°
C11C6N9C182.5°0.1°
C6C11C16H8180.0°179.9°
C6C11C16N17178.5°180.0°
C6C11C16C190.5°0.1°
N7C6N9C141.7°0.3°
N7C6N9C18178.0°179.7°
C6N7C10C141.1°0.3°
C6N7C10C21176.3°179.9°
N7C6C11C16179.2°180.0°
N7C6C11H80.8°0.1°
N9C6N7C100.4°0.3°
C6N9C14C18175.6°180.0°
C6N9C14C102.3°0.1°
N9C6C11C161.4°0.4°
C6N9C18C192.6°0.6°
N9C6C11H8178.6°179.7°
C6N9C14H9177.7°179.8°
C6N9C18H11177.4°180.0°
N7C10C14N92.2°0.1°
N7C10C14C21175.1°179.9°
N7C10C21C246.3°0.1°
N7C10C21C23179.2°179.8°
N7C10C14H9177.8°180.0°
C8N17C16C1111.6°173.4°
C8N17C16H10180.0°180.0°
C8N17C16C19169.4°6.7°
O20C8N17C163.0°5.3°
O20C8N17H10177.0°174.7°
N9C14C10H9180.0°179.9°
N9C14C10C21177.3°180.0°
C14N9C18C19177.8°179.4°
C14N9C18H112.2°0.1°
C18N9C14C10178.0°179.9°
N9C18C19C161.9°0.9°
N9C18C19H11180.0°179.4°
C18N9C14H92.0°0.2°
N9C18C19H12178.1°179.6°
C14C10C21C24168.1°180.0°
C14C10C21C236.3°0.3°
C10C21C24C23174.3°179.7°
C10C21C23C25178.9°180.0°
C10C21C24C26177.6°180.0°
C10C21C24H52.4°0.1°
C21C10C14H92.8°0.1°
C10C21C23H131.1°0.0°
C11C16N17C19179.0°179.9°
C11C16C19C180.8°0.6°
C11C16N17H10168.4°6.6°
C11C16C19H12179.2°180.0°
N12N13C15H1179.1°179.8°
N13N12C22H20.0°85.1°
N13N12C22H3120.0°35.0°
N13N12C22H4120.0°154.9°
C22N12N13C15179.9°179.8°
N12C22H2H3120.0°120.0°
N12C22H2H4120.0°120.0°
N12C22H3H4120.0°120.0°
N17C16C19C18178.2°179.3°
N17C16C11H81.5°0.1°
N17C16C19H121.8°0.1°
C16C19C18H12180.0°179.4°
C19C16C11H8179.5°180.0°
C19C16N17H1010.6°173.3°
C16C19C18H11178.2°179.7°
C24C21C23C254.5°0.3°
C21C24C26H5180.0°179.9°
C21C24C26C271.5°0.1°
C21C24C26H6178.5°180.0°
C24C21C23H13175.5°179.7°
C21C23C25H13180.0°180.0°
C23C21C24C263.3°0.4°
C21C23C25C274.2°0.0°
C23C21C24H5176.7°179.8°
C21C23C25H14175.8°180.0°
C23C25C27H14180.0°180.0°
C23C25C27C262.5°0.2°
C23C25C27H15177.5°180.0°
C24C26C27C251.1°0.2°
C24C26C27H6180.0°179.9°
C24C26C27H15178.9°180.0°
C25C27C26H15180.0°179.8°
C25C27C26H6178.9°179.7°
C27C25C23H13175.8°180.0°
C27C26C24H5178.5°180.0°
C26C27C25H14177.5°179.7°
C29C28C30H7119.0°121.1°
C28C29C31H16118.3°118.4°
C28C29C31H17118.3°118.3°
C28C29C31C3249.7°35.5°
C28C29H16H17124.8°123.3°
C29C28C30H1863.4°177.8°
C29C28C30H1956.6°62.2°
C29C28C30H20176.6°57.8°
C28C29C31H21167.9°153.6°
C28C29C31H2268.5°82.6°
C30C28C29C31155.6°141.6°
C30C28C29H1637.3°23.3°
C30C28C29H1786.1°100.1°
C28C30H18H19120.0°120.0°
C28C30H18H20120.0°120.0°
C28C30H19H20120.0°120.0°
C29C31C32H21118.2°118.1°
C29C31C32H22118.2°118.1°
C31C29C28H785.0°97.3°
C31C29H16H17124.8°123.2°
C29C31H21H22125.1°123.9°
C29C31C32H23167.7°155.8°
C29C31C32H2469.6°81.8°
C32C31C29H1668.6°82.9°
C32C31C29H17168.0°153.8°
C32C31H21H22125.1°123.9°
C31C32H23H24123.9°122.3°
H2C22H3H4120.0°120.0°
H5C24C26H61.5°0.1°
H6C26C27H151.1°0.1°
H7C28C29H16156.7°144.4°
H7C28C29H1733.3°21.1°
H7C28C30H1855.6°61.1°
H7C28C30H19175.6°58.9°
H7C28C30H2064.4°178.9°
H11C18C19H121.8°0.2°
H13C23C25H144.2°0.0°
H14C25C27H152.5°0.1°
H16C29C31H2149.5°35.2°
H16C29C31H22173.2°159.1°
H17C29C31H2173.8°88.1°
H17C29C31H2249.8°35.8°
H18C30H19H20120.0°120.0°
H21C31C32H2374.1°86.1°
H21C31C32H2448.6°36.3°
H22C31C32H2349.5°37.8°
H22C31C32H24172.2°160.1°

223790

PDB entries from 2024-08-14

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