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JQL

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1O2doub1.22Å1.23Å
C1N3sing1.35Å1.35Å
C1C5sing1.48Å1.48Å
N3C32sing1.47Å1.47Å
N3C28sing1.47Å1.48Å
C4C8sing1.47Å1.46Å
C4C5doub1.39Å1.40ÅAromatic
C4N12sing1.36Å1.35ÅAromatic
C5C15sing1.40Å1.40ÅAromatic
C6C11sing1.41Å1.40ÅAromatic
C6N7doub1.33Å1.33ÅAromatic
C6N9sing1.37Å1.39ÅAromatic
N7C10sing1.34Å1.39ÅAromatic
C8N17sing1.35Å1.37Å
C8O20doub1.22Å1.23Å
N9C14sing1.37Å1.37ÅAromatic
N9C18sing1.37Å1.38ÅAromatic
C10C14doub1.36Å1.37ÅAromatic
C10C21sing1.48Å1.47Å
C11C16doub1.37Å1.37ÅAromatic
N12N13sing1.40Å1.36ÅAromatic
N12C22sing1.47Å1.46Å
N13C15doub1.31Å1.32ÅAromatic
C16N17sing1.39Å1.41Å
C16C19sing1.41Å1.45ÅAromatic
C18C19doub1.35Å1.34ÅAromatic
C21C24doub1.39Å1.39ÅAromatic
C21C23sing1.39Å1.39ÅAromatic
C23C25doub1.38Å1.38ÅAromatic
C24C26sing1.38Å1.39ÅAromatic
C25C27sing1.38Å1.38ÅAromatic
C26C27doub1.38Å1.38ÅAromatic
C28C29sing1.55Å1.53Å
C28C30sing1.53Å1.51Å
C29C31sing1.55Å1.49Å
C31C32sing1.54Å1.50Å
C11H33sing1.08Å1.08Å
C15H35sing1.08Å1.08Å
C18H37sing1.08Å1.08Å
C19H38sing1.08Å1.08Å
C22H39sing1.09Å1.10Å
C22H40sing1.09Å1.10Å
C22H41sing1.09Å1.10Å
C23H42sing1.08Å1.08Å
C24H43sing1.08Å1.08Å
C25H44sing1.08Å1.08Å
C26H45sing1.08Å1.08Å
C27H46sing1.08Å1.08Å
C28H47sing1.09Å1.10Å
C14H34sing1.08Å1.08Å
N17H36sing0.97Å1.00Å
C29H48sing1.09Å1.10Å
C29H49sing1.09Å1.10Å
C30H52sing1.09Å1.10Å
C30H51sing1.09Å1.10Å
C30H50sing1.09Å1.10Å
C31H53sing1.09Å1.10Å
C31H54sing1.09Å1.10Å
C32H56sing1.09Å1.10Å
C32H55sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2C1N3122.0°119.9°
O2C1C5120.3°120.1°
N3C1C5117.7°120.0°
C1N3C32125.7°125.6°
C1N3C28122.9°125.6°
C1C5C4127.7°126.4°
C1C5C15127.7°126.4°
C32N3C28111.3°108.7°
N3C32C31103.2°107.2°
N3C32H56111.0°109.8°
N3C32H55111.0°109.9°
N3C28C29102.6°104.8°
N3C28C30111.4°110.4°
N3C28H47110.4°110.4°
C8C4C5132.4°126.5°
C8C4N12121.4°126.5°
C4C8N17116.2°120.0°
C4C8O20120.5°120.0°
C5C4N12106.2°107.0°
C4C5C15104.5°107.2°
C4N12N13112.0°108.2°
C4N12C22129.5°126.0°
C5C15N13112.0°108.5°
C5C15H35124.0°125.8°
C11C6N7130.4°132.1°
C11C6N9119.1°119.7°
C6C11C16119.3°119.3°
C6C11H33120.4°120.4°
N7C6N9110.5°108.3°
C6N7C10105.6°109.1°
C6N9C14107.3°107.2°
C6N9C18121.6°120.6°
N7C10C14110.6°108.4°
N7C10C21120.0°125.8°
N17C8O20123.2°120.0°
C8N17C16127.4°120.0°
C8N17H36116.3°120.0°
C14N9C18131.1°132.3°
N9C14C10106.0°107.1°
N9C14H34127.0°126.4°
N9C18C19120.6°120.7°
N9C18H37119.7°119.6°
C14C10C21129.1°125.8°
C10C14H34127.0°126.5°
C10C21C24120.7°120.1°
C10C21C23120.4°120.1°
C11C16N17126.5°120.2°
C11C16C19120.4°119.6°
C16C11H33120.4°120.4°
N13N12C22118.4°125.9°
N12N13C15105.3°109.1°
N12C22H39109.5°109.5°
N12C22H40109.5°109.5°
N12C22H41109.5°109.4°
N13C15H35124.0°125.7°
N17C16C19113.1°120.2°
C16N17H36116.3°120.0°
C16C19C18119.0°120.2°
C16C19H38120.5°119.9°
C19C18H37119.7°119.6°
C18C19H38120.5°119.9°
C24C21C23118.5°119.7°
C21C24C26120.5°119.9°
C21C24H43119.8°120.0°
C21C23C25120.6°119.9°
C21C23H42119.7°120.1°
C23C25C27120.3°120.1°
C25C23H42119.7°120.0°
C23C25H44119.8°120.0°
C24C26C27120.3°120.2°
C26C24H43119.7°120.1°
C24C26H45119.9°119.9°
C25C27C26119.8°120.2°
C27C25H44119.8°119.9°
C25C27H46120.1°119.9°
C27C26H45119.9°119.9°
C26C27H46120.1°119.9°
C29C28C30112.5°110.3°
C28C29C31106.5°101.6°
C29C28H47109.7°110.3°
C28C29H48110.2°111.0°
C28C29H49110.2°111.0°
C30C28H47110.0°110.3°
C28C30H52109.5°109.5°
C28C30H51109.4°109.5°
C28C30H50109.4°109.5°
C29C31C32103.9°102.9°
C31C29H48110.2°111.1°
C31C29H49110.2°111.0°
C29C31H53110.9°110.7°
C29C31H54110.8°110.8°
C32C31H53110.9°110.7°
C32C31H54110.9°110.7°
C31C32H56111.0°109.9°
C31C32H55111.0°109.9°
H39C22H40109.5°109.5°
H39C22H41109.5°109.5°
H40C22H41109.4°109.5°
H48C29H49109.5°110.9°
H52C30H51109.5°109.4°
H52C30H50109.5°109.5°
H51C30H50109.5°109.5°
H53C31H54109.4°110.8°
H56C32H55109.4°110.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2C1N3C5179.7°179.9°
O2C1N3C32173.4°180.0°
O2C1N3C284.0°0.1°
O2C1C5C446.3°0.1°
O2C1C5C15133.5°180.0°
C1N3C32C28177.7°179.9°
N3C1C5C4133.9°180.0°
N3C1C5C1546.2°0.1°
C1N3C28C29175.0°155.8°
C1N3C28C3064.5°37.0°
C1N3C32C31154.4°178.9°
C1N3C28H4758.1°85.4°
C1N3C32H5635.4°61.7°
C1N3C32H5586.6°59.4°
C5C1N3C326.9°0.1°
C5C1N3C28175.7°180.0°
C1C5C4C80.1°0.1°
C1C5C4C15179.9°179.9°
C1C5C4N12179.0°179.8°
C1C5C15N13179.9°179.7°
C1C5C15H350.2°0.0°
C32N3C28C292.8°24.1°
C32N3C28C30117.8°142.9°
N3C32C31C2934.3°22.3°
N3C32C31H56119.0°119.3°
N3C32C31H55119.0°119.4°
C32N3C28H47119.6°94.8°
N3C32C31H53153.4°140.5°
N3C32C31H5484.9°96.2°
N3C32H56H55122.9°121.1°
N3C28C29C30119.8°118.9°
N3C28C29H47117.3°118.9°
N3C28C30H47122.8°122.4°
N3C28C29C3119.2°37.0°
C28N3C32C3123.3°1.0°
N3C28C29H48100.4°81.1°
N3C28C29H49138.7°155.1°
N3C28C30H52180.0°56.8°
N3C28C30H5160.0°63.1°
N3C28C30H5060.0°176.9°
C28N3C32H56142.3°118.4°
C28N3C32H5595.7°120.5°
C8C4C5N12178.9°179.8°
C8C4C5C15179.8°180.0°
C4C8N17O20179.7°180.0°
C8C4N12N13179.5°179.9°
C8C4N12C222.0°0.1°
C4C8N17C16179.2°174.0°
C4C8N17H360.8°6.0°
C5C4C8N1735.9°99.9°
C5C4C8O20144.3°80.1°
C5C4N12N131.5°0.0°
C5C4N12C22178.9°179.9°
C4C5C15N130.0°0.2°
C4C5C15H35180.0°179.9°
N12C4C5C150.9°0.1°
N12C4C8N17142.8°79.9°
N12C4C8O2036.9°100.1°
C4N12N13C22177.8°179.9°
C4N12N13C151.4°0.1°
C4N12C22H39177.4°95.0°
C4N12C22H4057.3°145.0°
C4N12C22H4162.6°25.0°
C5C15N13N120.8°0.2°
C5C15N13H35180.0°179.7°
C11C6N7N9180.0°179.7°
C11C6N7C10179.5°180.0°
C11C6N9C14179.7°179.9°
C11C6N9C180.5°0.0°
C6C11C16H33180.0°179.9°
C6C11C16N17179.5°180.0°
C6C11C16C190.4°0.0°
N7C6N9C140.3°0.4°
N7C6N9C18179.4°179.8°
C6N7C10C141.2°0.0°
C6N7C10C21175.4°179.7°
N7C6C11C16179.9°180.0°
N7C6C11H330.1°0.1°
N9C6N7C100.6°0.3°
C6N9C14C18179.0°179.8°
C6N9C14C101.0°0.4°
N9C6C11C160.1°0.4°
C6N9C18C190.6°0.6°
N9C6C11H33180.0°179.8°
C6N9C18H37179.4°179.7°
C6N9C14H34179.0°179.5°
N7C10C14N91.4°0.2°
N7C10C14C21173.5°179.8°
N7C10C21C2411.6°0.3°
N7C10C21C23176.4°179.4°
N7C10C14H34178.6°179.7°
C8N17C16C1112.7°172.4°
C8N17C16H36180.0°180.0°
C8N17C16C19168.1°7.6°
O20C8N17C161.0°6.0°
O20C8N17H36179.0°174.0°
N9C14C10H34180.0°179.9°
N9C14C10C21174.9°180.0°
C14N9C18C19179.5°179.2°
C14N9C18H370.4°0.1°
C18N9C14C10180.0°179.8°
N9C18C19C160.2°0.9°
N9C18C19H37180.0°179.1°
N9C18C19H38179.8°179.7°
C18N9C14H340.0°0.3°
C14C10C21C24161.4°180.0°
C14C10C21C2310.6°0.3°
C10C21C24C23172.1°179.7°
C10C21C23C25176.1°179.9°
C10C21C24C26176.0°180.0°
C10C21C23H423.9°0.0°
C10C21C24H434.0°0.0°
C21C10C14H345.1°0.1°
C11C16N17C19179.2°180.0°
C11C16C19C180.3°0.6°
C11C16C19H38179.7°180.0°
C11C16N17H36167.3°7.5°
N12N13C15H35179.2°179.9°
N13N12C22H390.0°84.9°
N13N12C22H40120.0°35.1°
N13N12C22H41120.0°155.1°
C22N12N13C15179.2°180.0°
N12C22H39H40120.0°120.0°
N12C22H39H41120.0°120.0°
N12C22H40H41120.0°120.0°
N17C16C19C18179.5°179.4°
N17C16C11H330.5°0.1°
N17C16C19H380.5°0.0°
C16C19C18H38180.0°179.4°
C19C16C11H33179.6°179.9°
C16C19C18H37179.8°180.0°
C19C16N17H3611.9°172.4°
C24C21C23C254.0°0.2°
C21C24C26H43180.0°180.0°
C21C24C26C272.1°0.0°
C24C21C23H42176.0°179.7°
C21C24C26H45177.9°180.0°
C21C23C25H42180.0°179.9°
C23C21C24C263.9°0.2°
C21C23C25C272.3°0.1°
C23C21C24H43176.1°179.8°
C21C23C25H44177.6°180.0°
C23C25C27H44180.0°179.9°
C23C25C27C260.4°0.3°
C23C25C27H46179.6°179.9°
C24C26C27C250.3°0.3°
C24C26C27H45180.0°180.0°
C24C26C27H46179.7°180.0°
C25C27C26H46180.0°179.8°
C27C25C23H42177.7°180.0°
C25C27C26H45179.7°179.7°
C27C26C24H43177.9°180.0°
C26C27C25H44179.5°179.8°
C29C28C30H47122.7°122.2°
C28C29C31H48119.5°118.0°
C28C29C31H49119.6°118.1°
C28C29C31C3233.7°35.5°
C28C29H48H49121.4°123.9°
C29C28C30H5265.4°58.6°
C29C28C30H5154.5°178.5°
C29C28C30H50174.6°61.4°
C28C29C31H53152.8°153.8°
C28C29C31H5485.4°82.9°
C30C28C29C31139.0°155.9°
C30C28C29H4819.5°37.8°
C30C28C29H49101.5°86.0°
C28C30H52H51120.0°120.0°
C28C30H52H50120.0°120.1°
C28C30H51H50120.0°120.0°
C29C31C32H53119.1°118.3°
C29C31C32H54119.1°118.4°
C31C29C28H4798.2°81.9°
C31C29H48H49121.4°123.9°
C29C31H53H54122.6°123.3°
C29C31C32H56153.3°141.6°
C29C31C32H5584.8°97.2°
C32C31C29H4885.8°82.5°
C32C31C29H49153.3°153.6°
C32C31H53H54122.6°123.2°
C31C32H56H55122.9°121.2°
H37C18C19H380.2°0.6°
H39C22H40H41120.0°120.0°
H42C23C25H442.4°0.1°
H43C24C26H452.1°0.0°
H44C25C27H460.4°0.0°
H45C26C27H460.3°0.0°
H47C28C29H48142.3°160.0°
H47C28C29H4921.4°36.1°
H47C28C30H5257.3°179.2°
H47C28C30H51177.2°59.3°
H47C28C30H5062.8°60.7°
H48C29C31H5333.3°35.8°
H48C29C31H54155.1°159.1°
H49C29C31H5387.6°88.1°
H49C29C31H5434.1°35.2°
H52C30H51H50120.0°120.0°
H53C31C32H5687.6°100.1°
H53C31C32H5534.4°21.1°
H54C31C32H5634.1°23.1°
H54C31C32H55156.1°144.4°

222415

PDB entries from 2024-07-10

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