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B83

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2C1doub1.40Å1.46ÅAromatic
C1C6sing1.40Å1.44ÅAromatic
C1C7sing1.47Å1.52Å
C3C2sing1.39Å1.44ÅAromatic
N10C2sing1.39Å1.42Å
C3C4doub1.38Å1.42ÅAromatic
C3H3sing1.08Å1.08Å
C4C5sing1.39Å1.41ÅAromatic
C4H4sing1.08Å1.08Å
C5C6doub1.38Å1.42ÅAromatic
C5H5sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
O8C7doub1.21Å1.35Å
C7O9sing1.35Å1.22Å
O9HO9sing0.97Å0.95Å
C11N10sing1.35Å1.38Å
N10HN10sing0.97Å1.00Å
O12C11doub1.22Å1.24Å
C11C13sing1.47Å1.50Å
C18C13doub1.40Å1.42ÅAromatic
C13C14sing1.40Å1.42ÅAromatic
C14C15doub1.38Å1.43ÅAromatic
C14H14sing1.08Å1.08Å
C16C15sing1.39Å1.45ÅAromatic
C15H15sing1.08Å1.08Å
C17C16doub1.40Å1.45ÅAromatic
C16N26sing1.39Å1.42Å
O19C17sing1.36Å1.40Å
C18C17sing1.38Å1.42ÅAromatic
C18H18sing1.08Å1.08Å
C20O19sing1.36Å1.41Å
C25C20doub1.39Å1.42ÅAromatic
C20C21sing1.39Å1.44ÅAromatic
C22C21doub1.38Å1.42ÅAromatic
C21H21sing1.08Å1.08Å
C23C22sing1.38Å1.42ÅAromatic
C22H22sing1.08Å1.08Å
C24C23doub1.38Å1.42ÅAromatic
C23H23sing1.08Å1.08Å
C24C25sing1.38Å1.42ÅAromatic
C24H24sing1.08Å1.08Å
C25H25sing1.08Å1.08Å
C27N26sing1.47Å1.50Å
N26C31sing1.47Å1.52Å
C28C27sing1.53Å1.55Å
C27H27sing1.09Å1.10Å
C27H27Asing1.09Å1.10Å
C33C28sing1.53Å1.52Å
C28C29sing1.53Å1.55Å
C28H28sing1.09Å1.10Å
C29C30sing1.53Å1.54Å
C29H29sing1.09Å1.10Å
C29H29Asing1.09Å1.10Å
C30C31sing1.53Å1.55Å
C30C32sing1.53Å1.53Å
C30H30sing1.09Å1.10Å
C31H31sing1.09Å1.10Å
C31H31Asing1.09Å1.10Å
C32H32sing1.09Å1.10Å
C32H32Asing1.09Å1.10Å
C32H32Bsing1.09Å1.10Å
C33H33sing1.09Å1.10Å
C33H33Asing1.09Å1.10Å
C33H33Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6118.9°119.5°
C2C1C7126.1°120.2°
C1C2C3118.4°119.7°
C1C2N10119.4°120.1°
C6C1C7115.0°120.3°
C1C6C5121.1°120.0°
C1C6H6119.5°120.0°
C1C7O8115.3°120.0°
C1C7O9125.0°120.0°
C3C2N10122.2°120.2°
C2C3C4121.4°120.1°
C2C3H3119.3°120.0°
C2N10C11132.1°120.0°
C2N10HN10114.0°120.1°
C4C3H3119.3°120.0°
C3C4C5120.1°120.4°
C3C4H4119.9°119.7°
C5C4H4120.0°119.9°
C4C5C6120.1°120.4°
C4C5H5120.0°119.8°
C6C5H5119.9°119.8°
C5C6H6119.4°120.1°
O8C7O9119.6°120.0°
C7O9HO9109.5°117.0°
C11N10HN10114.0°119.9°
N10C11O12127.1°120.0°
N10C11C13113.9°120.0°
O12C11C13118.9°120.0°
C11C13C18116.5°120.0°
C11C13C14124.0°120.1°
C18C13C14119.5°119.9°
C13C18C17121.2°119.8°
C13C18H18119.4°120.0°
C13C14C15119.9°120.0°
C13C14H14120.1°120.0°
C15C14H14120.0°120.0°
C14C15C16121.8°120.1°
C14C15H15119.1°120.0°
C16C15H15119.1°119.9°
C15C16C17116.5°120.1°
C15C16N26123.0°119.9°
C17C16N26120.5°119.9°
C16C17O19118.4°120.0°
C16C17C18121.0°120.0°
C16N26C27115.2°111.0°
C16N26C31115.2°111.0°
O19C17C18120.6°120.0°
C17O19C20121.9°118.0°
C17C18H18119.4°120.1°
O19C20C25115.3°120.1°
O19C20C21125.5°120.0°
C25C20C21119.2°119.9°
C20C25C24120.4°119.9°
C20C25H25119.8°120.0°
C20C21C22120.1°119.9°
C20C21H21119.9°120.1°
C22C21H21120.0°120.0°
C21C22C23120.0°120.0°
C21C22H22120.0°120.0°
C23C22H22120.0°120.0°
C22C23C24120.2°120.1°
C22C23H23119.9°119.9°
C24C23H23119.9°119.9°
C23C24C25120.2°120.1°
C23C24H24119.9°120.0°
C25C24H24119.9°119.9°
C24C25H25119.8°120.0°
C27N26C31111.1°111.2°
N26C27C28109.5°109.5°
N26C27H27109.4°109.4°
N26C27H27A109.5°109.5°
N26C31C30109.7°109.5°
N26C31H31109.4°109.5°
N26C31H31A109.4°109.5°
C28C27H27109.5°109.5°
C28C27H27A109.5°109.5°
C27C28C33110.3°109.5°
C27C28C29109.4°109.3°
C27C28H28109.2°109.5°
H27C27H27A109.4°109.4°
C33C28C29110.1°109.5°
C33C28H28108.5°109.5°
C28C33H33109.5°109.4°
C28C33H33A109.5°109.5°
C28C33H33B109.5°109.5°
C29C28H28109.4°109.5°
C28C29C30110.2°109.2°
C28C29H29109.3°109.5°
C28C29H29A109.2°109.5°
C30C29H29109.2°109.5°
C30C29H29A109.3°109.5°
C29C30C31109.6°109.3°
C29C30C32110.5°109.5°
C29C30H30109.1°109.5°
H29C29H29A109.7°109.5°
C31C30C32110.5°109.5°
C31C30H30109.0°109.5°
C30C31H31109.4°109.4°
C30C31H31A109.4°109.5°
C32C30H30108.1°109.5°
C30C32H32109.5°109.5°
C30C32H32A109.5°109.5°
C30C32H32B109.5°109.5°
H31C31H31A109.6°109.5°
H32C32H32A109.5°109.5°
H32C32H32B109.4°109.5°
H32AC32H32B109.5°109.4°
H33C33H33A109.4°109.5°
H33C33H33B109.5°109.5°
H33AC33H33B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6C7180.0°179.7°
C1C2C3N10179.3°180.0°
C1C2C3C40.3°0.0°
C1C2C3H3179.7°179.9°
C2C1C6C50.1°0.1°
C2C1C6H6179.9°179.8°
C2C1C7O80.2°4.6°
C2C1C7O9179.6°175.4°
C1C2N10C11178.7°145.1°
C1C2N10HN101.3°35.0°
C6C1C2C30.2°0.0°
C6C1C2N10179.1°180.0°
C1C6C5C40.3°0.1°
C1C6C5H6180.0°179.8°
C1C6C5H5179.6°180.0°
C6C1C7O8179.8°175.1°
C6C1C7O90.5°4.9°
C7C1C2C3179.8°179.7°
C7C1C2N100.9°0.3°
C7C1C6C5179.9°179.8°
C7C1C6H60.2°0.0°
C1C7O8O9179.8°180.0°
C1C7O9HO9179.8°179.9°
C2C3C4H3180.0°179.9°
C2C3C4C50.1°0.0°
C2C3C4H4179.9°179.9°
C3C2N10C112.0°34.9°
C3C2N10HN10178.0°145.0°
N10C2C3C4179.0°179.9°
N10C2C3H31.0°0.0°
C2N10C11HN10180.0°179.9°
C2N10C11O122.0°5.5°
C2N10C11C13175.6°174.6°
C3C4C5H4180.0°179.9°
C3C4C5C60.2°0.1°
C3C4C5H5179.8°180.0°
H3C3C4C5179.9°179.9°
H3C3C4H40.1°0.0°
C4C5C6H5180.0°179.9°
C4C5C6H6179.6°179.7°
H4C4C5C6179.8°180.0°
H4C4C5H50.2°0.1°
H5C5C6H60.4°0.2°
O8C7O9HO90.0°0.1°
N10C11O12C13177.4°179.9°
N10C11C13C18144.1°179.7°
N10C11C13C1434.5°0.1°
HN10N10C11O12178.0°174.6°
HN10N10C11C134.4°5.3°
O12C11C13C1833.6°0.3°
O12C11C13C14147.7°180.0°
C11C13C18C14178.7°179.7°
C11C13C14C15178.5°180.0°
C11C13C14H141.5°0.0°
C11C13C18C17178.8°179.8°
C11C13C18H181.2°0.1°
C18C13C14C150.1°0.3°
C18C13C14H14179.9°179.7°
C13C18C17C160.4°0.5°
C13C18C17O19180.0°179.8°
C13C18C17H18180.0°179.7°
C13C14C15H14180.0°180.0°
C13C14C15C160.0°0.1°
C13C14C15H15180.0°179.9°
C14C13C18C170.0°0.5°
C14C13C18H18180.0°179.7°
C14C15C16H15180.0°180.0°
C14C15C16C170.3°0.0°
C14C15C16N26179.5°180.0°
H14C14C15C16179.9°180.0°
H14C14C15H150.1°0.0°
C15C16C17N26179.8°179.9°
C15C16C17O19179.8°180.0°
C15C16C17C180.5°0.3°
C15C16N26C27104.0°64.2°
C15C16N26C3127.4°60.0°
H15C15C16C17179.6°180.0°
H15C15C16N260.6°0.0°
C16C17O19C18179.7°179.7°
C16C17C18H18179.6°179.8°
C16C17O19C20118.5°174.8°
C17C16N26C2776.2°115.8°
C17C16N26C31152.4°120.0°
N26C16C17O190.4°0.1°
N26C16C17C18179.3°179.8°
C16N26C27C31133.3°124.1°
C16N26C27C28165.7°174.2°
C16N26C27H2745.6°54.2°
C16N26C27H27A74.3°65.8°
C16N26C31C30166.4°174.2°
C16N26C31H3173.6°65.9°
C16N26C31H31A46.4°54.1°
O19C17C18H180.0°0.1°
C17O19C20C25163.6°105.0°
C17O19C20C2116.5°75.3°
C18C17O19C2061.8°4.9°
O19C20C25C21179.9°179.7°
O19C20C21C22179.9°180.0°
O19C20C21H210.1°0.0°
O19C20C25C24180.0°179.7°
O19C20C25H250.0°0.3°
C25C20C21C220.2°0.3°
C25C20C21H21179.8°179.7°
C20C25C24C230.0°0.6°
C20C25C24H25180.0°179.4°
C20C25C24H24180.0°179.8°
C20C21C22H21180.0°179.9°
C20C21C22C230.2°0.0°
C20C21C22H22179.8°180.0°
C21C20C25C240.1°0.6°
C21C20C25H25179.9°180.0°
C21C22C23H22180.0°180.0°
C21C22C23C240.0°0.0°
C21C22C23H23180.0°180.0°
H21C21C22C23179.8°180.0°
H21C21C22H220.2°0.0°
C22C23C24H23180.0°179.9°
C22C23C24C250.1°0.3°
C22C23C24H24180.0°179.9°
H22C22C23C24180.0°180.0°
H22C22C23H230.0°0.0°
C23C24C25H24180.0°179.6°
C23C24C25H25180.0°180.0°
H23C23C24C25179.9°179.7°
H23C23C24H240.1°0.0°
H24C24C25H250.0°0.3°
N26C27C28H27120.0°120.0°
N26C27C28H27A120.0°120.1°
N26C27H27H27A120.0°120.0°
N26C27C28C33179.5°179.2°
N26C27C28C2959.3°59.2°
N26C27C28H2860.4°60.7°
C27N26C31C3060.3°61.7°
C27N26C31H3159.7°58.2°
C27N26C31H31A179.7°178.2°
C31N26C27C2861.0°61.7°
C31N26C27H27178.9°178.2°
C31N26C27H27A59.0°58.3°
N26C31C30C2957.6°59.1°
N26C31C30H31120.0°120.0°
N26C31C30H31A120.0°120.1°
N26C31C30C32179.7°179.1°
N26C31C30H3061.7°60.8°
N26C31H31H31A119.9°120.0°
C28C27H27H27A120.0°120.0°
C27C28C33C29120.8°119.8°
C27C28C33H28119.5°120.1°
C27C28C29H28119.5°119.9°
C27C28C29C3058.0°57.6°
C27C28C29H29177.9°177.6°
C27C28C29H29A62.1°62.3°
C27C28C33H33180.0°60.0°
C27C28C33H33A60.0°180.0°
C27C28C33H33B60.0°60.0°
H27C27C28C3359.5°60.9°
H27C27C28C29179.3°179.1°
H27C27C28H2859.6°59.2°
H27AC27C28C3360.5°59.1°
H27AC27C28C2960.7°60.9°
H27AC27C28H28179.6°179.2°
C33C28C29H28119.1°120.1°
C33C28C29C30179.3°177.6°
C33C28C29H2960.7°62.5°
C33C28C29H29A59.3°57.7°
C28C33H33H33A120.0°120.0°
C28C33H33H33B120.0°120.0°
C28C33H33AH33B120.0°120.0°
C28C29C30H29120.0°119.9°
C28C29C30H29A120.0°119.9°
C28C29H29H29A119.7°120.1°
C28C29C30C3157.2°57.6°
C28C29C30C32179.3°177.6°
C28C29C30H3062.0°62.3°
C29C28C33H3359.2°59.8°
C29C28C33H33A179.2°60.2°
C29C28C33H33B60.8°179.8°
H28C28C29C3061.6°62.3°
H28C28C29H2958.4°57.6°
H28C28C29H29A178.4°177.8°
H28C28C33H3360.5°179.9°
H28C28C33H33A59.5°59.9°
H28C28C33H33B179.5°60.1°
C30C29H29H29A119.7°120.1°
C29C30C31C32122.0°120.0°
C29C30C31H30119.3°119.9°
C29C30C32H30119.3°120.1°
C29C30C31H3162.4°60.9°
C29C30C31H31A177.6°179.2°
C29C30C32H32180.0°60.0°
C29C30C32H32A60.0°180.0°
C29C30C32H32B60.0°60.1°
H29C29C30C31177.3°177.6°
H29C29C30C3260.7°62.5°
H29C29C30H3058.0°57.6°
H29AC29C30C3162.8°62.3°
H29AC29C30C3259.3°57.7°
H29AC29C30H30177.9°177.8°
C31C30C32H30119.3°120.1°
C30C31H31H31A119.9°119.9°
C31C30C32H3258.5°59.8°
C31C30C32H32A178.6°60.2°
C31C30C32H32B61.4°179.9°
C32C30C31H3159.7°59.1°
C32C30C31H31A60.3°60.8°
C30C32H32H32A120.0°120.0°
C30C32H32H32B120.0°120.0°
C30C32H32AH32B120.0°119.9°
H30C30C31H31178.3°179.2°
H30C30C31H31A58.3°59.3°
H30C30C32H3260.7°179.9°
H30C30C32H32A59.3°59.9°
H30C30C32H32B179.3°60.0°
H32C32H32AH32B120.0°120.0°
H33C33H33AH33B120.0°120.1°

222415

PDB entries from 2024-07-10

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