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31Z

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C12C11sing1.53Å1.52Å
C12C13sing1.53Å1.52Å
C11C10sing1.53Å1.53Å
C10N4sing1.47Å1.45Å
C10C15sing1.53Å1.51Å
O6C5doub1.22Å1.22Å
C5N7sing1.35Å1.37Å
C5N4sing1.34Å1.38Å
N7C8sing1.35Å1.37Å
N4C3sing1.37Å1.37Å
C8O9doub1.22Å1.22Å
C8C2sing1.42Å1.48Å
C3C2doub1.35Å1.34Å
C2C1sing1.51Å1.50Å
C13N14sing1.47Å1.50Å
N14C15sing1.47Å1.49Å
N14C16sing1.47Å1.51Å
C16C17sing1.51Å1.51Å
C18C17doub1.38Å1.38ÅAromatic
C18C19sing1.38Å1.38ÅAromatic
C17C22sing1.38Å1.39ÅAromatic
C27C26doub1.38Å1.39ÅAromatic
C27C28sing1.38Å1.38ÅAromatic
C19C20doub1.40Å1.38ÅAromatic
C22F23sing1.35Å1.34Å
C22C21doub1.39Å1.38ÅAromatic
C26C25sing1.39Å1.38ÅAromatic
C28C29doub1.38Å1.39ÅAromatic
C20C21sing1.40Å1.38ÅAromatic
C20C32sing1.47Å1.47Å
C21O24sing1.36Å1.39Å
C25O24sing1.36Å1.40Å
C25C30doub1.39Å1.38ÅAromatic
O33C32doub1.21Å1.26Å
C32O34sing1.35Å1.26Å
C29C30sing1.38Å1.38ÅAromatic
C29CLsing1.74Å1.73Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C3H4sing1.08Å1.08Å
N7H5sing0.97Å1.00Å
C10H6sing1.09Å1.10Å
C11H7sing1.09Å1.10Å
C11H8sing1.09Å1.10Å
C12H9sing1.09Å1.10Å
C12H10sing1.09Å1.10Å
C13H11sing1.09Å1.10Å
C13H12sing1.09Å1.10Å
C15H14sing1.09Å1.10Å
C15H15sing1.09Å1.10Å
C16H16sing1.09Å1.10Å
C16H17sing1.09Å1.10Å
C18H18sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
C26H20sing1.08Å1.08Å
C27H21sing1.08Å1.08Å
C28H22sing1.08Å1.08Å
C30H23sing1.08Å1.08Å
O34H24sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C11C12C13108.9°109.2°
C12C11C10110.6°109.2°
C12C11H7109.2°109.5°
C12C11H8109.2°109.6°
C11C12H9109.6°109.5°
C11C12H10109.6°109.5°
C12C13N14109.0°109.6°
C13C12H9109.6°109.5°
C13C12H10109.6°109.5°
C12C13H11109.6°109.5°
C12C13H12109.6°109.5°
C11C10N4113.2°109.5°
C11C10C15112.5°109.3°
C11C10H6106.1°109.5°
C10C11H7109.2°109.6°
C10C11H8109.2°109.5°
N4C10C15111.1°109.5°
C10N4C5117.3°119.7°
C10N4C3120.6°119.7°
N4C10H6107.1°109.5°
C10C15N14110.7°109.5°
C15C10H6106.3°109.5°
C10C15H14109.2°109.5°
C10C15H15109.2°109.5°
O6C5N7121.3°119.5°
O6C5N4123.7°119.6°
N7C5N4115.0°120.9°
C5N7C8126.3°120.2°
C5N7H5116.8°119.9°
C5N4C3122.1°120.7°
N7C8O9122.2°120.3°
N7C8C2116.0°119.4°
C8N7H5116.8°119.9°
N4C3C2123.6°119.7°
N4C3H4118.2°120.2°
O9C8C2121.8°120.3°
C8C2C3117.0°119.1°
C8C2C1120.8°120.4°
C3C2C1122.2°120.4°
C2C3H4118.2°120.1°
C2C1H1109.5°109.4°
C2C1H2109.5°109.5°
C2C1H3109.5°109.5°
C13N14C15112.3°111.1°
C13N14C16112.7°111.0°
N14C13H11109.6°109.4°
N14C13H12109.6°109.5°
C15N14C16112.2°111.0°
N14C15H14109.1°109.5°
N14C15H15109.1°109.4°
N14C16C17118.4°109.5°
N14C16H16107.2°109.5°
N14C16H17107.2°109.4°
C16C17C18118.0°119.8°
C16C17C22123.4°119.8°
C17C16H16107.2°109.5°
C17C16H17107.2°109.5°
C17C18C19120.6°120.3°
C18C17C22118.6°120.4°
C17C18H18119.7°119.9°
C18C19C20120.4°119.9°
C19C18H18119.7°119.8°
C18C19H19119.8°120.0°
C17C22F23121.8°120.0°
C17C22C21121.0°120.1°
C26C27C28120.4°120.0°
C27C26C25120.7°120.0°
C27C26H20119.7°120.0°
C26C27H21119.8°120.0°
C27C28C29118.4°120.1°
C28C27H21119.8°120.0°
C27C28H22120.8°119.9°
C19C20C21119.5°119.7°
C19C20C32118.9°120.2°
C20C19H19119.8°120.0°
F23C22C21117.3°120.0°
C22C21C20119.8°119.6°
C22C21O24119.7°120.2°
C26C25O24124.6°120.1°
C26C25C30119.0°119.9°
C25C26H20119.6°120.1°
C28C29C30121.4°120.1°
C28C29CL120.3°120.0°
C29C28H22120.8°120.0°
C21C20C32121.5°120.2°
C20C21O24120.4°120.2°
C20C32O33117.2°120.0°
C20C32O34116.2°120.0°
C21O24C25119.2°118.0°
O24C25C30116.4°120.0°
C25C30C29120.1°119.9°
C25C30H23120.0°120.1°
O33C32O34126.6°120.0°
C32O34H24109.5°117.0°
C30C29CL118.3°120.0°
C29C30H23119.9°120.0°
H1C1H2109.5°109.5°
H1C1H3109.5°109.5°
H2C1H3109.5°109.5°
H7C11H8109.5°109.5°
H9C12H10109.5°109.6°
H11C13H12109.5°109.5°
H14C15H15109.5°109.5°
H16C16H17109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C11C12C13H9119.9°119.9°
C11C12C13H10119.9°119.9°
C12C11C10H7120.2°119.9°
C12C11C10H8120.2°120.0°
C12C11C10N4179.7°177.6°
C12C11C10C1553.2°57.7°
C11C12C13N1461.1°59.2°
C12C11C10H662.6°62.3°
C12C11H7H8119.5°120.2°
C11C12H9H10120.3°120.1°
C11C12C13H11179.0°179.2°
C11C12C13H1258.8°60.8°
C13C12C11C1057.6°57.6°
C12C13N14H11119.9°120.0°
C12C13N14H12119.9°120.1°
C12C13N14C1561.3°61.8°
C12C13N14C16170.9°174.2°
C13C12C11H762.6°177.6°
C13C12C11H8177.8°62.3°
C13C12H9H10120.3°120.1°
C12C13H11H12120.2°120.0°
C11C10N4C15127.8°119.8°
C11C10N4H6116.6°120.1°
C11C10C15H6115.7°120.0°
C11C10N4C5131.9°59.9°
C11C10N4C345.7°120.2°
C11C10C15N1451.4°59.2°
C10C11H7H8119.5°120.1°
C10C11C12H962.3°62.2°
C10C11C12H10177.5°177.6°
C11C10C15H1468.8°60.8°
C11C10C15H15171.5°179.1°
N4C10C15H6116.1°120.1°
C10N4C5O64.4°0.2°
C10N4C5N7175.6°180.0°
C10N4C5C3177.6°179.9°
C10N4C3C2176.4°180.0°
N4C10C15N14179.5°179.1°
C10N4C3H43.6°0.1°
N4C10C11H760.1°62.4°
N4C10C11H859.6°57.7°
N4C10C15H1459.3°59.1°
N4C10C15H1560.3°60.9°
C15C10N4C5100.3°59.9°
C15C10N4C382.1°120.0°
C10C15N14C1355.8°61.8°
C10C15N14H14120.2°120.0°
C10C15N14H15120.2°120.0°
C10C15N14C16176.1°174.2°
C15C10C11H767.0°177.6°
C15C10C11H8173.4°62.3°
C10C15H14H15119.5°120.0°
O6C5N7N4179.9°179.7°
O6C5N7C8178.3°180.0°
O6C5N4C3178.0°179.7°
O6C5N7H51.7°0.3°
C5N7C8H5180.0°179.7°
N7C5N4C32.0°0.1°
C5N7C8O9179.9°180.0°
C5N7C8C20.3°0.6°
N4C5N7C81.6°0.3°
C5N4C3C21.1°0.1°
C5N4C3H4178.9°179.9°
N4C5N7H5178.4°180.0°
C5N4C10H615.4°180.0°
N7C8O9C2179.6°179.4°
N7C8C2C30.6°0.6°
N7C8C2C1180.0°179.7°
N4C3C2C80.3°0.2°
N4C3C2H4180.0°180.0°
N4C3C2C1179.6°179.9°
C3N4C10H6162.3°0.1°
O9C8C2C3179.0°179.9°
O9C8C2C10.4°0.3°
O9C8N7H50.0°0.3°
C8C2C3C1179.3°179.7°
C8C2C1H1180.0°90.3°
C8C2C1H260.0°29.7°
C8C2C1H360.0°149.7°
C8C2C3H4179.7°179.8°
C2C8N7H5179.6°179.7°
C3C2C1H10.7°90.0°
C3C2C1H2119.3°150.0°
C3C2C1H3120.7°30.0°
C2C1H1H2120.0°120.0°
C2C1H1H3120.0°120.0°
C2C1H2H3120.0°120.0°
C1C2C3H40.4°0.0°
C13N14C15C16128.1°124.1°
C13N14C16C1770.3°66.1°
N14C13C12H958.8°60.7°
N14C13C12H10179.0°179.1°
N14C13H11H12120.3°119.9°
C13N14C15H1464.4°58.3°
C13N14C15H15176.0°178.3°
C13N14C16H16168.4°53.9°
C13N14C16H1751.0°173.9°
C15N14C16C1757.6°169.8°
N14C15C10H664.4°60.8°
C15N14C13H11178.8°178.2°
C15N14C13H1258.6°58.3°
N14C15H14H15119.4°119.9°
C15N14C16H1663.6°70.2°
C15N14C16H17178.9°49.8°
N14C16C17H16121.3°120.0°
N14C16C17H17121.3°119.9°
N14C16C17C1893.8°99.7°
N14C16C17C2287.8°80.0°
C16N14C13H1151.0°54.2°
C16N14C13H1269.2°65.8°
C16N14C15H1463.7°65.8°
C16N14C15H1555.9°54.2°
N14C16H16H17116.0°120.0°
C16C17C18C22178.5°179.7°
C16C17C18C19179.4°180.0°
C16C17C22F230.0°0.0°
C16C17C22C21179.7°179.7°
C17C16H16H17115.9°120.0°
C16C17C18H180.6°0.0°
C17C18C19H18180.0°180.0°
C17C18C19C200.2°0.0°
C18C17C22F23178.4°179.7°
C18C17C22C211.2°0.6°
C18C17C16H16144.9°140.3°
C18C17C16H1727.5°20.2°
C17C18C19H19179.8°179.9°
C19C18C17C220.9°0.3°
C18C19C20H19180.0°179.9°
C18C19C20C210.1°0.0°
C18C19C20C32179.6°179.9°
C17C22F23C21179.7°179.7°
C17C22C21C200.9°0.5°
C17C22C21O24179.0°179.7°
C22C17C16H1633.5°40.0°
C22C17C16H17151.0°160.0°
C22C17C18H18179.1°179.7°
C26C27C28H21180.0°179.9°
C27C26C25H20180.0°180.0°
C26C27C28C290.4°0.1°
C27C26C25O24178.1°179.9°
C27C26C25C300.4°0.2°
C26C27C28H22179.6°180.0°
C28C27C26C250.8°0.1°
C27C28C29H22180.0°179.9°
C27C28C29C300.3°0.2°
C27C28C29CL178.5°180.0°
C28C27C26H20179.2°179.9°
C19C20C21C220.3°0.2°
C19C20C21C32179.4°180.0°
C19C20C21O24178.3°180.0°
C19C20C32O33122.1°180.0°
C19C20C32O3457.8°0.0°
C20C19C18H18179.8°180.0°
F23C22C21C20178.7°179.7°
F23C22C21O240.7°0.0°
C22C21C20O24178.0°179.7°
C22C21C20C32179.2°179.8°
C22C21O24C2580.1°89.8°
C26C25O24C2120.8°0.3°
C26C25O24C30178.5°179.7°
C26C25C30C290.3°0.5°
C25C26C27H21179.2°180.0°
C26C25C30H23179.7°179.8°
C28C29C30C250.7°0.5°
C28C29C30CL178.9°179.8°
C29C28C27H21179.6°180.0°
C28C29C30H23179.3°179.8°
C20C21O24C25101.9°90.0°
C21C20C32O3358.5°0.1°
C21C20C32O34121.7°180.0°
C21C20C19H19179.9°179.9°
C32C20C21O241.2°0.0°
C20C32O33O34179.8°180.0°
C32C20C19H190.4°0.1°
C20C32O34H24179.8°180.0°
C21O24C25C30160.6°180.0°
O24C25C30C29178.9°179.8°
O24C25C26H201.9°0.0°
O24C25C30H231.1°0.0°
C25C30C29H23180.0°179.7°
C25C30C29CL178.2°179.7°
C30C25C26H20179.6°179.8°
O33C32O34H240.0°0.0°
C30C29C28H22179.7°179.7°
CLC29C28H221.5°0.1°
CLC29C30H231.8°0.0°
H1C1H2H3120.0°120.0°
H6C10C11H7177.2°57.6°
H6C10C11H857.5°177.7°
H6C10C15H14175.5°179.2°
H6C10C15H1555.8°59.2°
H7C11C12H9177.5°57.7°
H7C11C12H1057.3°62.5°
H8C11C12H957.8°177.8°
H8C11C12H1062.3°57.7°
H9C12C13H1161.1°59.3°
H9C12C13H12178.7°179.3°
H10C12C13H1159.1°60.9°
H10C12C13H1261.1°59.1°
H18C18C19H190.2°0.1°
H20C26C27H210.8°0.0°
H21C27C28H220.4°0.1°

223532

PDB entries from 2024-08-07

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