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XXF

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N2C1doub1.32Å1.33ÅAromatic
N2C2sing1.33Å1.34ÅAromatic
C1N1sing1.32Å1.34ÅAromatic
C2N5sing1.37Å1.37ÅAromatic
C2C3doub1.41Å1.40ÅAromatic
N1C4doub1.33Å1.35ÅAromatic
N5C15sing1.37Å1.36ÅAromatic
C3C4sing1.40Å1.43ÅAromatic
C3C14sing1.47Å1.46ÅAromatic
C4N3sing1.38Å1.41Å
C15CL1sing1.74Å1.70Å
C15C14doub1.36Å1.37ÅAromatic
C14C16sing1.48Å1.49Å
C8N3sing1.47Å1.46Å
C8C7sing1.53Å1.53Å
N3C5sing1.47Å1.47Å
C5C6sing1.53Å1.51Å
C12C7sing1.53Å1.52Å
C12C11sing1.53Å1.53Å
C16C21doub1.40Å1.40ÅAromatic
C16C17sing1.39Å1.39ÅAromatic
C7C9sing1.53Å1.52Å
C7O1sing1.43Å1.45Å
C21C20sing1.38Å1.39ÅAromatic
C9C10sing1.53Å1.52Å
C17C18doub1.39Å1.39ÅAromatic
O1C6sing1.43Å1.45Å
C11N4sing1.47Å1.50Å
N4C10sing1.47Å1.49Å
N4C13sing1.47Å1.49Å
C20C19doub1.38Å1.39ÅAromatic
C18C19sing1.40Å1.39ÅAromatic
C18C22sing1.43Å1.44Å
C22N6trip1.14Å1.14Å
C8H1sing1.09Å1.10Å
C8H2sing1.09Å1.10Å
C9H3sing1.09Å1.10Å
C9H4sing1.09Å1.10Å
C1H5sing1.08Å1.08Å
C5H6sing1.09Å1.10Å
C5H7sing1.09Å1.10Å
C6H8sing1.09Å1.10Å
C6H9sing1.09Å1.10Å
N5H11sing0.97Å1.00Å
C10H12sing1.09Å1.10Å
C10H13sing1.09Å1.10Å
C11H14sing1.09Å1.10Å
C11H15sing1.09Å1.10Å
C12H16sing1.09Å1.10Å
C12H17sing1.09Å1.10Å
C13H18sing1.09Å1.10Å
C13H19sing1.09Å1.10Å
C13H20sing1.09Å1.10Å
C17H21sing1.08Å1.08Å
C19H22sing1.08Å1.08Å
C20H23sing1.08Å1.08Å
C21H24sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1N2C2113.0°120.7°
N2C1N1128.9°122.7°
N2C1H5115.5°118.6°
N2C2N5125.6°134.0°
N2C2C3125.9°118.5°
C1N1C4116.9°121.0°
N1C1H5115.6°118.7°
N5C2C3108.5°107.4°
C2N5C15109.1°110.3°
C2N5H11125.4°124.9°
C2C3C4114.5°118.7°
C2C3C14106.2°106.2°
N1C4C3120.7°118.4°
N1C4N3115.1°120.8°
N5C15CL1115.5°125.2°
N5C15C14110.5°109.6°
C15N5H11125.4°124.8°
C4C3C14139.3°135.1°
C3C4N3124.1°120.8°
C3C14C15105.7°106.5°
C3C14C16126.8°126.8°
C4N3C8119.5°111.0°
C4N3C5118.8°111.0°
CL1C15C14133.8°125.2°
C15C14C16126.7°126.7°
C14C16C21120.6°120.1°
C14C16C17120.1°120.1°
N3C8C7112.9°109.2°
C8N3C5111.8°110.8°
N3C8H1108.6°109.5°
N3C8H2108.6°109.5°
C8C7C12111.5°109.5°
C8C7C9110.3°109.5°
C8C7O1109.5°109.4°
C7C8H1108.6°109.5°
C7C8H2108.6°109.5°
N3C5C6109.9°109.3°
N3C5H6109.4°109.5°
N3C5H7109.4°109.6°
C5C6O1113.0°109.3°
C6C5H6109.3°109.5°
C6C5H7109.4°109.5°
C5C6H8108.6°109.5°
C5C6H9108.6°109.5°
C7C12C11113.0°109.3°
C12C7C9110.5°109.3°
C12C7O1106.8°109.5°
C7C12H16108.6°109.6°
C7C12H17108.6°109.5°
C12C11N4111.1°109.5°
C12C11H14109.1°109.5°
C12C11H15109.1°109.4°
C11C12H16108.6°109.4°
C11C12H17108.6°109.5°
C21C16C17119.3°119.9°
C16C21C20120.5°120.2°
C16C21H24119.7°119.9°
C16C17C18120.1°119.8°
C16C17H21120.0°120.1°
C9C7O1108.1°109.5°
C7C9C10110.5°109.3°
C7C9H3109.2°109.5°
C7C9H4109.2°109.5°
C7O1C6116.8°113.7°
C21C20C19120.2°120.3°
C21C20H23119.9°119.9°
C20C21H24119.8°119.9°
C9C10N4110.9°109.5°
C10C9H3109.2°109.5°
C10C9H4109.2°109.5°
C9C10H12109.1°109.5°
C9C10H13109.1°109.4°
C17C18C19120.2°119.8°
C17C18C22119.4°120.1°
C18C17H21120.0°120.1°
O1C6H8108.6°109.5°
O1C6H9108.6°109.5°
C11N4C10110.5°111.2°
C11N4C13111.8°111.0°
N4C11H14109.1°109.5°
N4C11H15109.1°109.4°
C10N4C13111.5°111.0°
N4C10H12109.1°109.5°
N4C10H13109.1°109.4°
N4C13H18109.5°109.5°
N4C13H19109.4°109.5°
N4C13H20109.4°109.4°
C20C19C18119.7°120.2°
C20C19H22120.2°120.0°
C19C20H23119.9°119.9°
C19C18C22120.1°120.2°
C18C19H22120.1°119.9°
C18C22N6178.0°179.9°
H1C8H2109.5°109.6°
H3C9H4109.5°109.6°
H6C5H7109.5°109.5°
H8C6H9109.4°109.5°
H12C10H13109.5°109.5°
H14C11H15109.4°109.5°
H16C12H17109.5°109.6°
H18C13H19109.5°109.5°
H18C13H20109.4°109.5°
H19C13H20109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N2C1N1H5180.0°180.0°
C1N2C2N5178.2°179.9°
C1N2C2C30.7°0.0°
N2C1N1C40.2°0.0°
C2N2C1N11.1°0.0°
N2C2N5C3177.9°179.9°
N2C2N5C15176.2°180.0°
N2C2C3C43.0°0.1°
N2C2C3C14175.5°180.0°
C2N2C1H5178.9°180.0°
N2C2N5H113.8°0.1°
C1N1C4C32.5°0.0°
C1N1C4N3173.2°180.0°
C2N5C15H11180.0°180.0°
N5C2C3C4179.1°180.0°
N5C2C3C142.4°0.1°
C2N5C15CL1175.7°180.0°
C2N5C15C140.2°0.1°
C2C3C4N13.8°0.1°
C3C2N5C151.7°0.1°
C2C3C4C14177.7°179.9°
C2C3C4N3171.4°180.0°
C2C3C14C152.3°0.0°
C2C3C14C16168.3°180.0°
C3C2N5H11178.3°180.0°
N1C4C3N3175.3°179.9°
N1C4C3C14173.9°180.0°
N1C4N3C813.0°23.2°
N1C4N3C5130.0°100.4°
C4N1C1H5179.8°180.0°
N5C15C14C31.3°0.0°
N5C15CL1C14174.6°180.0°
N5C15C14C16169.3°180.0°
C4C3C14C15179.9°180.0°
C4C3C14C169.6°0.0°
C3C4N3C8171.5°156.7°
C3C4N3C545.6°79.7°
C14C3C4N310.8°0.1°
C3C14C15CL1176.1°180.0°
C3C14C15C16170.6°180.0°
C3C14C16C2141.1°65.0°
C3C14C16C17141.4°114.7°
C4N3C8C5145.3°123.7°
C4N3C8C7157.7°177.8°
C4N3C5C6159.0°177.6°
C4N3C8H181.8°57.9°
C4N3C8H237.2°62.3°
C4N3C5H638.9°62.5°
C4N3C5H781.0°57.7°
CL1C15C14C165.6°0.0°
CL1C15N5H114.3°0.0°
C15C14C16C21127.5°115.0°
C15C14C16C1750.0°65.3°
C14C15N5H11179.8°180.0°
C14C16C21C17177.5°179.7°
C14C16C21C20177.8°179.8°
C14C16C17C18176.1°179.9°
C14C16C17H213.9°0.1°
C14C16C21H242.2°0.0°
N3C8C7H1120.5°119.9°
N3C8C7H2120.5°119.9°
C8N3C5C655.4°58.6°
N3C8C7C12169.0°176.8°
N3C8C7C967.9°63.3°
N3C8C7O151.0°56.8°
N3C8H1H2118.5°120.1°
C8N3C5H6175.4°61.3°
C8N3C5H764.7°178.6°
C7C8N3C557.0°58.5°
C8C7C12C9123.1°120.0°
C8C7C12O1119.6°120.0°
C8C7C12C11174.8°177.6°
C8C7C9O1119.7°120.0°
C8C7C9C10177.8°177.6°
C8C7O1C648.2°58.6°
C7C8H1H2118.5°120.1°
C8C7C9H357.7°57.7°
C8C7C9H462.0°62.4°
C8C7C12H1664.7°62.5°
C8C7C12H1754.2°57.7°
N3C5C6H6120.1°119.9°
N3C5C6H7120.1°120.0°
N3C5C6O151.1°56.9°
C5N3C8H163.5°178.4°
C5N3C8H2177.5°61.4°
N3C5H6H7119.8°120.1°
N3C5C6H869.4°176.8°
N3C5C6H9171.7°63.1°
C5C6O1C749.9°58.6°
C5C6O1H8120.5°119.9°
C5C6O1H9120.5°120.0°
C6C5H6H7119.8°120.1°
C5C6H8H9118.4°120.1°
C7C12C11H16120.5°120.0°
C7C12C11H17120.5°119.9°
C12C7C9O1116.5°120.0°
C12C7C9C1054.1°57.6°
C12C7O1C6169.0°178.7°
C7C12C11N453.0°59.1°
C12C7C8H148.5°63.3°
C12C7C8H270.5°56.9°
C12C7C9H366.1°62.3°
C12C7C9H4174.3°177.5°
C7C12C11H1467.3°179.1°
C7C12C11H15173.3°60.9°
C7C12H16H17118.4°120.2°
C11C12C7C951.7°57.6°
C11C12C7O165.7°62.4°
C12C11N4H14120.2°120.1°
C12C11N4H15120.3°120.0°
C12C11N4C1056.4°61.7°
C12C11N4C13178.8°174.2°
C12C11H14H15119.3°120.0°
C11C12H16H17118.4°120.0°
C16C21C20H24180.0°179.8°
C21C16C17C181.4°0.3°
C16C21C20C190.9°0.6°
C21C16C17H21178.6°179.7°
C16C21C20H23179.1°179.7°
C17C16C21C200.2°0.5°
C16C17C18H21180.0°180.0°
C16C17C18C192.4°0.0°
C16C17C18C22171.8°179.9°
C17C16C21H24179.8°179.7°
C7C9C10H3120.2°119.9°
C7C9C10H4120.2°120.0°
C9C7O1C672.1°61.4°
C7C9C10N459.1°59.1°
C9C7C8H1171.6°56.6°
C9C7C8H252.6°176.8°
C7C9H3H4119.5°120.1°
C7C9C10H12179.3°179.1°
C7C9C10H1361.1°60.9°
C9C7C12H16172.2°177.5°
C9C7C12H1768.8°62.3°
O1C7C9C1062.4°62.4°
O1C7C8H169.5°176.7°
O1C7C8H2171.5°63.2°
O1C7C9H3177.4°177.7°
O1C7C9H457.7°57.5°
C7O1C6H870.6°178.5°
C7O1C6H9170.5°61.4°
O1C7C12H1654.9°57.5°
O1C7C12H17173.8°177.7°
C21C20C19H23180.0°179.7°
C21C20C19C180.0°0.3°
C21C20C19H22179.9°179.8°
C9C10N4C1160.1°61.7°
C9C10N4H12120.2°120.0°
C9C10N4H13120.2°119.9°
C9C10N4C13174.9°174.2°
C10C9H3H4119.5°120.1°
C9C10H12H13119.3°120.0°
C17C18C19C201.7°0.0°
C17C18C19C22174.2°179.9°
C17C18C22N619.0°171.9°
C17C18C19H22178.3°180.0°
O1C6C5H6171.2°63.0°
O1C6C5H768.9°176.9°
O1C6H8H9118.4°120.1°
C11N4C10C13125.0°124.1°
C11N4C10H12179.7°178.2°
C11N4C10H1360.1°58.2°
N4C11H14H15119.3°119.9°
N4C11C12H16173.5°179.0°
N4C11C12H1767.5°60.9°
C11N4C13H18180.0°64.3°
C11N4C13H1960.0°55.7°
C11N4C13H2060.0°175.7°
N4C10C9H361.1°60.8°
N4C10C9H4179.3°179.0°
N4C10H12H13119.4°120.0°
C10N4C11H1463.8°178.2°
C10N4C11H15176.7°58.3°
C10N4C13H1855.8°60.0°
C10N4C13H1964.2°180.0°
C10N4C13H20175.8°60.0°
C13N4C10H1254.7°54.1°
C13N4C10H1364.9°65.9°
C13N4C11H1461.0°54.1°
C13N4C11H1558.5°65.9°
N4C13H18H19120.0°120.0°
N4C13H18H20120.0°120.0°
N4C13H19H20120.0°120.0°
C20C19C18H22180.0°179.9°
C20C19C18C22172.4°179.9°
C19C20C21H24179.1°179.7°
C19C18C22N6155.2°8.0°
C19C18C17H21177.6°180.0°
C18C19C20H23180.0°180.0°
C22C18C17H218.2°0.0°
C22C18C19H227.6°0.0°
H3C9C10H1259.2°59.2°
H3C9C10H13178.7°179.2°
H4C9C10H1260.5°60.9°
H4C9C10H1359.0°59.1°
H6C5C6H850.6°56.9°
H6C5C6H968.3°177.0°
H7C5C6H8170.5°63.2°
H7C5C6H951.6°56.9°
H14C11C12H1653.3°60.9°
H14C11C12H17172.2°59.2°
H15C11C12H1666.2°59.1°
H15C11C12H1752.7°179.2°
H18C13H19H20120.0°120.0°
H22C19C20H230.1°0.0°
H23C20C21H240.9°0.0°

223532

PDB entries from 2024-08-07

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