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585

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C3sing1.40Å1.40Å
N1C5sing1.35Å1.36Å
N2C4doub1.33Å1.33ÅAromatic
N2C7sing1.32Å1.33ÅAromatic
C3N6doub1.32Å1.32ÅAromatic
C3C13sing1.39Å1.40ÅAromatic
C4N10sing1.39Å1.39Å
C4C11sing1.40Å1.39ÅAromatic
C5C9sing1.51Å1.52Å
C5O23doub1.21Å1.21Å
N6C14sing1.32Å1.33ÅAromatic
C7N17doub1.32Å1.32ÅAromatic
C7N21sing1.39Å1.39Å
O8C9sing1.43Å1.43Å
O8C13sing1.36Å1.36Å
C9C30sing1.53Å1.53Å
C9C31sing1.53Å1.54Å
N10C14sing1.39Å1.40Å
C11C22doub1.38Å1.39ÅAromatic
C11F25sing1.35Å1.34Å
C12C15doub1.39Å1.41ÅAromatic
C12C16sing1.39Å1.41ÅAromatic
C12O27sing1.36Å1.37Å
C13C24doub1.39Å1.40ÅAromatic
C14C26doub1.39Å1.40ÅAromatic
C15C19sing1.39Å1.40ÅAromatic
C15O29sing1.36Å1.37Å
C16C20doub1.39Å1.41ÅAromatic
C16O28sing1.36Å1.37Å
N17C22sing1.33Å1.33ÅAromatic
C18C19doub1.39Å1.40ÅAromatic
C18C20sing1.39Å1.41ÅAromatic
C18N21sing1.40Å1.41Å
C24C26sing1.39Å1.39ÅAromatic
O27C32sing1.43Å1.43Å
O28C33sing1.43Å1.44Å
O29C34sing1.43Å1.44Å
N1HN1sing0.97Å1.00Å
N10HN10sing0.97Å1.00Å
C19H19sing1.08Å1.08Å
C20H20sing1.08Å1.08Å
N21HN21sing0.97Å1.00Å
C22H22sing1.08Å1.08Å
C24H24sing1.08Å1.08Å
C26H26sing1.08Å1.08Å
C30H30sing1.09Å1.10Å
C30H30Asing1.09Å1.10Å
C30H30Bsing1.09Å1.10Å
C31H31sing1.09Å1.10Å
C31H31Asing1.09Å1.10Å
C31H31Bsing1.09Å1.10Å
C32H32sing1.09Å1.10Å
C32H32Asing1.09Å1.10Å
C32H32Bsing1.09Å1.10Å
C33H33sing1.09Å1.10Å
C33H33Asing1.09Å1.10Å
C33H33Bsing1.09Å1.10Å
C34H34sing1.09Å1.10Å
C34H34Asing1.09Å1.10Å
C34H34Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C3N1C5118.5°119.2°
N1C3N6119.5°120.5°
N1C3C13119.5°119.0°
C3N1HN1120.8°120.4°
N1C5C9120.0°119.9°
N1C5O23119.3°120.1°
C5N1HN1120.7°120.4°
C4N2C7121.1°120.6°
N2C4N10123.3°120.5°
N2C4C11118.8°119.1°
N2C7N17121.1°121.7°
N2C7N21120.6°119.1°
N6C3C13121.0°120.5°
C3N6C14121.9°121.5°
C3C13O8122.0°119.8°
C3C13C24118.9°119.5°
N10C4C11117.9°120.5°
C4N10C14126.9°120.0°
C4N10HN10116.5°120.0°
C4C11C22118.8°118.4°
C4C11F25119.3°120.8°
C9C5O23120.7°120.0°
C5C9O8112.9°109.5°
C5C9C30109.9°109.4°
C5C9C31108.8°109.5°
N6C14N10117.1°119.5°
N6C14C26120.2°121.0°
N17C7N21118.2°119.1°
C7N17C22121.4°120.9°
C7N21C18125.5°120.0°
C7N21HN21117.3°120.0°
C9O8C13115.4°116.6°
O8C9C30109.7°109.4°
O8C9C31107.1°109.5°
O8C13C24119.1°120.7°
C30C9C31108.4°109.4°
C9C30H30109.5°109.5°
C9C30H30A109.5°109.5°
C9C30H30B109.4°109.5°
C9C31H31109.5°109.4°
C9C31H31A109.5°109.5°
C9C31H31B109.5°109.5°
N10C14C26122.6°119.5°
C14N10HN10116.5°120.0°
C22C11F25121.8°120.8°
C11C22N17118.8°119.2°
C11C22H22120.6°120.4°
C15C12C16120.1°119.9°
C15C12O27120.3°120.1°
C12C15C19119.5°120.0°
C12C15O29119.7°120.0°
C16C12O27119.5°120.0°
C12C16C20119.7°120.0°
C12C16O28117.4°120.0°
C12O27C32113.4°117.0°
C13C24C26118.4°118.3°
C13C24H24120.8°120.9°
C14C26C24119.6°119.2°
C14C26H26120.2°120.4°
C19C15O29120.8°120.0°
C15C19C18121.2°120.0°
C15C19H19119.4°120.0°
C15O29C34110.5°117.0°
C20C16O28122.9°120.0°
C16C20C18120.2°120.0°
C16C20H20119.9°120.0°
C16O28C33112.4°117.0°
N17C22H22120.6°120.3°
C19C18C20119.3°120.0°
C19C18N21116.8°120.0°
C18C19H19119.4°120.0°
C20C18N21124.0°120.0°
C18C20H20119.9°120.0°
C18N21HN21117.3°120.0°
C26C24H24120.8°120.8°
C24C26H26120.2°120.4°
O27C32H32109.5°109.5°
O27C32H32A109.5°109.5°
O27C32H32B109.5°109.5°
O28C33H33109.5°109.5°
O28C33H33A109.5°109.5°
O28C33H33B109.5°109.5°
O29C34H34109.5°109.5°
O29C34H34A109.5°109.5°
O29C34H34B109.4°109.5°
H30C30H30A109.4°109.4°
H30C30H30B109.5°109.5°
H30AC30H30B109.5°109.5°
H31C31H31A109.4°109.5°
H31C31H31B109.5°109.5°
H31AC31H31B109.5°109.5°
H32C32H32A109.5°109.5°
H32C32H32B109.5°109.4°
H32AC32H32B109.5°109.5°
H33C33H33A109.4°109.5°
H33C33H33B109.4°109.4°
H33AC33H33B109.5°109.4°
H34C34H34A109.4°109.5°
H34C34H34B109.5°109.4°
H34AC34H34B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C3N1C5HN1180.0°179.7°
N1C3N6C13178.8°179.9°
C3N1C5C90.4°1.6°
C3N1C5O23179.2°178.4°
N1C3N6C14179.4°180.0°
N1C3C13O80.9°0.0°
N1C3C13C24179.7°180.0°
C5N1C3N6165.1°164.5°
C5N1C3C1313.8°15.4°
N1C5C9O23179.5°180.0°
N1C5C9O826.0°31.1°
N1C5C9C3096.8°88.9°
N1C5C9C31144.7°151.2°
N2C4N10C11179.8°179.9°
C4N2C7N170.9°0.0°
C4N2C7N21179.5°179.9°
N2C4N10C143.2°5.2°
N2C4C11C220.9°0.0°
N2C4C11F25178.8°180.0°
N2C4N10HN10176.8°174.8°
C7N2C4N10178.9°179.9°
C7N2C4C111.0°0.0°
N2C7N17N21179.6°179.9°
N2C7N17C220.8°0.0°
N2C7N21C1811.1°174.8°
N2C7N21HN21168.9°5.1°
N6C3C13O8179.7°179.9°
C3N6C14N10178.5°180.0°
N6C3C13C240.9°0.1°
C3N6C14C260.2°0.1°
N6C3N1HN114.9°15.2°
C13C3N6C140.6°0.1°
C3C13O8C928.7°32.7°
C3C13O8C24179.4°180.0°
C3C13C24C260.4°0.1°
C13C3N1HN1166.3°164.9°
C3C13C24H24179.6°179.9°
C4N10C14N6146.6°5.2°
C4N10C14HN10180.0°180.0°
N10C4C11C22179.0°180.0°
N10C4C11F251.0°0.0°
C4N10C14C2635.1°174.7°
C11C4N10C14176.6°174.8°
C4C11C22F25177.9°180.0°
C4C11C22N170.7°0.0°
C11C4N10HN103.4°5.1°
C4C11C22H22179.2°180.0°
C5C9O8C30122.9°119.9°
C5C9O8C31119.7°120.1°
C5C9O8C1339.3°46.0°
C5C9C30C31118.8°120.0°
C9C5N1HN1179.7°178.1°
C5C9C30H3042.3°60.0°
C5C9C30H30A77.7°180.0°
C5C9C30H30B162.3°60.0°
C5C9C31H31141.3°60.0°
C5C9C31H31A21.3°180.0°
C5C9C31H31B98.7°60.0°
O23C5C9O8154.5°148.9°
O23C5C9C3082.7°91.2°
O23C5C9C3135.8°28.8°
O23C5N1HN10.8°1.9°
N6C14N10C26178.3°179.9°
N6C14C26C240.7°0.0°
N6C14N10HN1033.4°174.8°
N6C14C26H26179.3°180.0°
C7N17C22C110.7°0.0°
N17C7N21C18169.3°5.3°
N17C7N21HN2110.7°174.8°
C7N17C22H22179.3°180.0°
N21C7N17C22179.6°180.0°
C7N21C18C19157.0°33.1°
C7N21C18C2023.9°147.0°
C7N21C18HN21180.0°179.9°
O8C9C30C31116.6°120.0°
C9O8C13C24151.9°147.3°
O8C9C30H3082.3°180.0°
O8C9C30H30A157.7°60.0°
O8C9C30H30B37.7°60.0°
O8C9C31H3196.4°60.1°
O8C9C31H31A143.6°59.9°
O8C9C31H31B23.5°179.9°
C13O8C9C3083.6°73.9°
C13O8C9C31159.0°166.1°
O8C13C24C26179.8°179.9°
O8C13C24H240.2°0.1°
C9C30H30H30A120.0°120.0°
C9C30H30H30B120.0°120.0°
C9C30H30AH30B120.0°120.0°
C30C9C31H3121.8°179.9°
C30C9C31H31A98.2°60.0°
C30C9C31H31B141.8°60.0°
C31C9C30H30161.1°60.0°
C31C9C30H30A41.1°60.0°
C31C9C30H30B78.9°180.0°
C9C31H31H31A120.0°120.0°
C9C31H31H31B120.0°119.9°
C9C31H31AH31B120.0°120.0°
N10C14C26C24178.9°180.0°
N10C14C26H261.1°0.0°
C11C22N17H22180.0°180.0°
F25C11C22N17178.7°180.0°
F25C11C22H221.3°0.0°
C15C12C16O27177.5°179.7°
C12C15C19O29179.6°180.0°
C15C12C16C200.8°0.0°
C15C12C16O28179.8°180.0°
C12C15C19C180.3°0.0°
C15C12O27C3287.5°90.0°
C12C15O29C34178.1°180.0°
C12C15C19H19179.7°180.0°
C16C12C15C191.0°0.0°
C16C12C15O29179.3°180.0°
C12C16C20O28179.4°179.9°
C12C16C20C180.1°0.1°
C16C12O27C3294.9°90.3°
C12C16O28C33175.2°180.0°
C12C16C20H20179.9°179.9°
O27C12C15C19178.5°179.7°
O27C12C15O291.8°0.3°
O27C12C16C20178.3°179.8°
O27C12C16O282.3°0.3°
C12O27C32H32106.7°60.0°
C12O27C32H32A13.3°60.0°
C12O27C32H32B133.3°179.9°
C13C24C26C140.4°0.0°
C13C24C26H24180.0°180.0°
C13C24C26H26179.6°180.0°
C14C26C24H26180.0°180.0°
C26C14N10HN10144.9°5.3°
C14C26C24H24179.7°180.0°
C15C19C18H19180.0°180.0°
C15C19C18C200.6°0.1°
C15C19C18N21179.7°180.0°
C19C15O29C341.5°0.0°
O29C15C19C18180.0°180.0°
O29C15C19H190.0°0.0°
C15O29C34H34107.4°60.0°
C15O29C34H34A12.5°60.0°
C15O29C34H34B132.6°180.0°
C16C20C18C190.8°0.1°
C16C20C18H20180.0°180.0°
C16C20C18N21179.9°180.0°
C20C16O28C335.5°0.1°
O28C16C20C18179.3°180.0°
O28C16C20H200.7°0.0°
C16O28C33H33121.0°59.9°
C16O28C33H33A119.0°180.0°
C16O28C33H33B1.0°60.1°
C19C18C20N21179.1°180.0°
C19C18C20H20179.2°179.9°
C19C18N21HN2123.1°146.9°
C20C18C19H19179.4°180.0°
C20C18N21HN21156.1°33.1°
N21C18C19H190.3°0.0°
N21C18C20H200.1°0.0°
O27C32H32H32A120.0°120.0°
O27C32H32H32B120.0°120.0°
O27C32H32AH32B120.0°120.0°
O28C33H33H33A120.0°120.1°
O28C33H33H33B120.0°120.0°
O28C33H33AH33B120.0°120.0°
O29C34H34H34A120.0°120.0°
O29C34H34H34B120.0°120.0°
O29C34H34AH34B120.0°120.0°
H24C24C26H260.3°0.0°
H30C30H30AH30B120.0°120.0°
H31C31H31AH31B120.0°120.0°
H32C32H32AH32B120.0°119.9°
H33C33H33AH33B120.0°119.9°
H34C34H34AH34B120.0°120.0°

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PDB entries from 2024-06-12

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