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DMY

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1O1doub1.21Å1.24Å
C1N1sing1.35Å1.34Å
C1H1sing1.08Å1.10Å
N1C2sing1.41Å1.35Å
N1HN1sing0.97Å1.02Å
C2C3sing1.40Å1.39ÅAromatic
C2C5doub1.36Å1.43ÅAromatic
C3C4doub1.38Å1.38ÅAromatic
C3H3sing1.08Å1.10Å
C4N2sing1.38Å1.36ÅAromatic
C4C7sing1.47Å1.45Å
N2C5sing1.36Å1.35ÅAromatic
N2C6sing1.47Å1.53Å
C5H5sing1.08Å1.10Å
C6H61sing1.09Å1.11Å
C6H62sing1.09Å1.11Å
C6H63sing1.09Å1.11Å
C7O2doub1.22Å1.22Å
C7N3sing1.35Å1.36Å
N3C8sing1.41Å1.36Å
N3HN3sing0.97Å1.02Å
C8C9sing1.40Å1.39ÅAromatic
C8C11doub1.36Å1.42ÅAromatic
C9C10doub1.38Å1.37ÅAromatic
C9H9sing1.08Å1.10Å
C10N4sing1.38Å1.35ÅAromatic
C10C13sing1.47Å1.45Å
N4C11sing1.36Å1.34ÅAromatic
N4C12sing1.46Å1.53Å
C11H11sing1.08Å1.10Å
C12H121sing1.09Å1.11Å
C12H122sing1.09Å1.12Å
C12H123sing1.09Å1.11Å
C13O3doub1.22Å1.23Å
C13N5sing1.35Å1.37Å
N5C14sing1.41Å1.36Å
N5HN5sing0.97Å1.02Å
C14C15sing1.40Å1.39ÅAromatic
C14C17doub1.36Å1.43ÅAromatic
C15C16doub1.38Å1.39ÅAromatic
C15H15sing1.08Å1.10Å
C16N6sing1.38Å1.35ÅAromatic
C16C19sing1.47Å1.44Å
N6C17sing1.36Å1.34ÅAromatic
N6C18sing1.47Å1.57Å
C17H17sing1.08Å1.10Å
C18H181sing1.09Å1.11Å
C18H182sing1.09Å1.12Å
C18H183sing1.09Å1.11Å
C19O4doub1.22Å1.24Å
C19N7sing1.35Å1.34Å
N7C20sing1.46Å1.46Å
N7HN7sing0.97Å1.02Å
C20C21sing1.53Å1.51Å
C20H201sing1.09Å1.11Å
C20H202sing1.09Å1.12Å
C21C22sing1.51Å1.52Å
C21H211sing1.09Å1.12Å
C21H212sing1.09Å1.12Å
C22N8doub1.29Å1.33Å
C22N9sing1.37Å1.33Å
N8HN8sing0.97Å1.02Å
N9HN91sing0.97Å1.02Å
N9HN92sing0.97Å1.02Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C1N1128.5°120.0°
O1C1H1110.8°120.0°
N1C1H1120.7°120.0°
C1N1C2126.1°119.9°
C1N1HN1116.9°119.9°
C2N1HN1117.0°120.1°
N1C2C3125.1°126.2°
N1C2C5130.4°126.0°
C3C2C5104.4°107.7°
C2C3C4109.5°107.2°
C2C3H3125.7°126.4°
C2C5N2109.0°108.7°
C2C5H5127.9°125.6°
C4C3H3124.8°126.4°
C3C4N2107.8°107.6°
C3C4C7127.7°126.2°
N2C4C7124.3°126.2°
C4N2C5109.3°108.7°
C4N2C6129.5°125.6°
C4C7O2122.0°120.0°
C4C7N3114.0°120.0°
C5N2C6121.1°125.6°
N2C5H5123.1°125.6°
N2C6H61129.5°109.5°
N2C6H62105.2°109.5°
N2C6H63105.2°109.5°
H61C6H62105.3°109.5°
H61C6H63105.3°109.5°
H62C6H63104.0°109.5°
O2C7N3124.0°120.0°
C7N3C8123.4°120.0°
C7N3HN3118.5°119.9°
C8N3HN3118.1°120.0°
N3C8C9125.8°126.1°
N3C8C11130.4°126.1°
C9C8C11103.8°107.7°
C8C9C10109.7°107.1°
C8C9H9125.7°126.4°
C8C11N4109.5°108.8°
C8C11H11127.6°125.6°
C10C9H9124.6°126.5°
C9C10N4107.9°107.7°
C9C10C13127.6°126.2°
N4C10C13124.2°126.1°
C10N4C11109.1°108.7°
C10N4C12129.0°125.7°
C10C13O3122.2°120.0°
C10C13N5113.8°120.0°
C11N4C12121.8°125.6°
N4C11H11122.9°125.6°
N4C12H121129.0°109.5°
N4C12H122105.4°109.5°
N4C12H123105.4°109.6°
H121C12H122105.4°109.4°
H121C12H123105.4°109.4°
H122C12H123103.8°109.4°
O3C13N5123.9°120.0°
C13N5C14124.4°120.0°
C13N5HN5118.0°120.0°
C14N5HN5117.7°120.0°
N5C14C15125.9°126.1°
N5C14C17130.1°126.1°
C15C14C17103.9°107.8°
C14C15C16109.5°107.1°
C14C15H15125.3°126.5°
C14C17N6109.8°108.7°
C14C17H17127.7°125.6°
C16C15H15125.2°126.4°
C15C16N6107.8°107.6°
C15C16C19128.7°126.1°
N6C16C19123.2°126.2°
C16N6C17108.9°108.7°
C16N6C18128.6°125.6°
C16C19O4124.6°120.0°
C16C19N7114.4°120.0°
C17N6C18122.4°125.6°
N6C17H17122.6°125.6°
N6C18H181128.6°109.4°
N6C18H182105.6°109.5°
N6C18H183105.6°109.4°
H181C18H182105.5°109.4°
H181C18H183105.6°109.5°
H182C18H183103.7°109.6°
O4C19N7121.0°120.0°
C19N7C20122.2°120.0°
C19N7HN7114.6°120.0°
C20N7HN7123.2°120.0°
N7C20C21114.0°109.4°
N7C20H201110.6°109.5°
N7C20H202110.6°109.6°
C21C20H201110.5°109.4°
C21C20H202110.5°109.5°
C20C21C22112.4°109.5°
C20C21H211111.1°109.5°
C20C21H212111.2°109.5°
H201C20H20299.8°109.5°
C22C21H211111.1°109.5°
C22C21H212111.1°109.5°
C21C22N8122.1°120.0°
C21C22N9117.6°120.0°
H211C21H21299.2°109.4°
N8C22N9120.3°120.0°
C22N8HN833.1°120.0°
C22N9HN91117.6°120.0°
C22N9HN92109.3°120.0°
HN91N9HN92109.3°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1N1H1180.0°180.0°
O1C1N1C20.4°0.0°
O1C1N1HN1179.5°180.0°
C1N1C2HN1180.0°180.0°
C1N1C2C3179.2°0.0°
C1N1C2C51.3°180.0°
H1C1N1C2179.6°180.0°
H1C1N1HN10.4°0.0°
N1C2C3C5178.4°179.9°
N1C2C3C4178.4°179.7°
N1C2C3H31.6°0.0°
N1C2C5N2178.1°180.0°
N1C2C5H51.9°0.1°
HN1N1C2C30.8°180.0°
HN1N1C2C5178.7°0.0°
C2C3C4H3180.0°179.7°
C2C3C4N20.2°0.4°
C2C3C4C7175.7°180.0°
C3C2C5N20.2°0.0°
C3C2C5H5179.8°180.0°
C5C2C3C40.0°0.2°
C5C2C3H3180.0°180.0°
C2C5N2C40.3°0.3°
C2C5N2H5180.0°180.0°
C2C5N2C6177.4°180.0°
C3C4N2C7175.7°179.7°
C3C4N2C50.3°0.4°
C3C4N2C6177.2°179.9°
C3C4C7O2158.0°174.7°
C3C4C7N324.3°5.3°
H3C3C4N2179.8°179.9°
H3C3C4C74.3°0.2°
C4N2C5C6177.8°179.7°
C4N2C5H5179.7°179.8°
C4N2C6H61180.0°94.9°
C4N2C6H6254.7°25.2°
C4N2C6H6354.7°145.1°
N2C4C7O216.9°4.9°
N2C4C7N3160.9°175.1°
C7C4N2C5176.0°179.9°
C7C4N2C61.5°0.3°
C4C7O2N3177.6°179.9°
C4C7N3C8172.8°174.5°
C4C7N3HN37.2°5.5°
C5N2C6H612.7°85.5°
C5N2C6H62122.5°154.5°
C5N2C6H63128.0°34.5°
C6N2C5H52.6°0.1°
N2C6H61H62125.2°120.0°
N2C6H61H63125.2°120.0°
N2C6H62H63110.3°120.0°
H61C6H62H63110.4°120.0°
O2C7N3C89.5°5.5°
O2C7N3HN3170.6°174.6°
C7N3C8HN3180.0°180.0°
C7N3C8C9179.0°0.4°
C7N3C8C113.2°179.9°
N3C8C9C11178.3°179.6°
N3C8C9C10179.8°179.9°
N3C8C9H90.2°0.4°
N3C8C11N4179.7°180.0°
N3C8C11H110.3°0.2°
HN3N3C8C91.1°179.6°
HN3N3C8C11176.8°0.1°
C8C9C10H9180.0°179.4°
C8C9C10N41.6°0.5°
C8C9C10C13175.5°179.8°
C9C8C11N41.5°0.4°
C9C8C11H11178.5°179.7°
C11C8C9C101.9°0.6°
C11C8C9H9178.1°180.0°
C8C11N4C100.6°0.1°
C8C11N4H11180.0°179.9°
C8C11N4C12178.0°180.0°
C9C10N4C13174.1°179.7°
C9C10N4C110.6°0.3°
C9C10N4C12179.0°179.7°
C9C10C13O3155.8°174.6°
C9C10C13N526.3°5.3°
H9C9C10N4178.3°179.9°
H9C9C10C134.5°0.3°
C10N4C11C12178.5°179.9°
C10N4C11H11179.4°180.0°
C10N4C12H121180.0°94.5°
C10N4C12H12254.7°25.5°
C10N4C12H12354.7°145.5°
N4C10C13O317.2°5.0°
N4C10C13N5160.8°175.0°
C13C10N4C11174.8°180.0°
C13C10N4C126.8°0.1°
C10C13O3N5177.7°179.9°
C10C13N5C14173.4°174.5°
C10C13N5HN56.6°5.5°
C11N4C12H1211.8°85.4°
C11N4C12H122127.1°154.6°
C11N4C12H123123.5°34.6°
C12N4C11H112.1°0.1°
N4C12H121H122125.2°120.0°
N4C12H121H123125.3°120.1°
N4C12H122H123110.5°120.1°
H121C12H122H123110.6°119.9°
O3C13N5C148.7°5.4°
O3C13N5HN5171.3°174.5°
C13N5C14HN5180.0°180.0°
C13N5C14C15179.0°0.3°
C13N5C14C173.4°180.0°
N5C14C15C17178.1°179.8°
N5C14C15C16178.9°179.8°
N5C14C15H151.1°0.3°
N5C14C17N6177.8°180.0°
N5C14C17H172.2°0.0°
HN5N5C14C151.0°179.7°
HN5N5C14C17176.6°0.0°
C14C15C16H15180.0°179.6°
C14C15C16N61.6°0.4°
C14C15C16C19176.2°179.8°
C15C14C17N60.2°0.3°
C15C14C17H17179.8°179.8°
C17C14C15C160.8°0.4°
C17C14C15H15179.2°180.0°
C14C17N6C161.2°0.0°
C14C17N6H17180.0°179.9°
C14C17N6C18175.7°180.0°
C15C16N6C19175.0°179.8°
C15C16N6C171.7°0.2°
C15C16N6C18174.9°179.7°
C15C16C19O4150.8°174.8°
C15C16C19N730.9°5.2°
H15C15C16N6178.4°180.0°
H15C15C16C193.8°0.3°
C16N6C17C18176.9°179.9°
C16N6C17H17178.8°180.0°
C16N6C18H181180.0°84.7°
C16N6C18H18254.8°35.3°
C16N6C18H18354.7°155.4°
N6C16C19O423.1°4.9°
N6C16C19N7155.2°175.1°
C19C16N6C17176.7°180.0°
C19C16N6C180.1°0.1°
C16C19O4N7178.3°180.0°
C16C19N7C20179.1°174.9°
C16C19N7HN70.9°5.1°
C17N6C18H1813.7°95.2°
C17N6C18H182121.5°144.8°
C17N6C18H183129.1°24.7°
C18N6C17H174.3°0.1°
N6C18H181H182125.2°120.0°
N6C18H181H183125.3°119.9°
N6C18H182H183110.8°120.0°
H181C18H182H183110.7°120.0°
O4C19N7C202.5°5.1°
O4C19N7HN7177.6°175.0°
C19N7C20HN7180.0°180.0°
C19N7C20C2181.8°179.9°
C19N7C20H201153.0°60.0°
C19N7C20H20243.5°60.0°
N7C20C21H201125.2°120.0°
N7C20C21H202125.3°120.1°
N7C20H201H202116.4°120.1°
N7C20C21C22175.6°180.0°
N7C20C21H21150.4°60.0°
N7C20C21H21259.1°60.0°
HN7N7C20C2198.2°0.1°
HN7N7C20H20127.0°120.0°
HN7N7C20H202136.6°119.9°
C21C20H201H202116.4°119.9°
C20C21C22H211125.3°120.0°
C20C21C22H212125.3°120.0°
C20C21H211H212117.1°120.0°
C20C21C22N881.6°0.0°
C20C21C22N997.9°180.0°
H201C20C21C2259.1°60.0°
H201C20C21H211175.6°180.0°
H201C20C21H21266.1°60.0°
H202C20C21C2250.4°59.9°
H202C20C21H21174.9°60.1°
H202C20C21H212175.7°179.9°
C22C21H211H212117.0°120.0°
C21C22N8N9179.5°180.0°
C21C22N8HN8135.5°180.0°
C21C22N9HN91180.0°180.0°
C21C22N9HN9254.7°0.1°
H211C21C22N843.6°120.0°
H211C21C22N9136.8°60.0°
H212C21C22N8153.1°120.0°
H212C21C22N927.4°60.0°
N8C22N9HN910.5°0.0°
N8C22N9HN92124.8°179.9°
N9C22N8HN844.0°0.0°
C22N9HN91HN92125.3°180.0°

223532

PDB entries from 2024-08-07

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