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A1AN2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1sing1.53Å1.53Å
C2C1sing1.53Å1.54Å
C1C3sing1.53Å1.54Å
NC3sing1.46Å1.45Å
C4Nsing1.38Å1.36Å
C4N1doub1.33Å1.36ÅAromatic
N1C5sing1.32Å1.34ÅAromatic
C5N2doub1.32Å1.33ÅAromatic
N2C6sing1.33Å1.35ÅAromatic
C6N3sing1.37Å1.38ÅAromatic
N3C7sing1.38Å1.39ÅAromatic
C8C7sing1.48Å1.47Å
C8C9doub1.40Å1.39ÅAromatic
C9N4sing1.32Å1.35ÅAromatic
N4C10doub1.33Å1.36ÅAromatic
N5C10sing1.38Å1.34Å
C10N6sing1.33Å1.36ÅAromatic
N6C11doub1.32Å1.35ÅAromatic
C11C8sing1.40Å1.39ÅAromatic
C7C12doub1.36Å1.37ÅAromatic
C12C13sing1.46Å1.43ÅAromatic
C13C4sing1.41Å1.42ÅAromatic
C6C13doub1.41Å1.40ÅAromatic
C3C14sing1.51Å1.52Å
C14C15doub1.38Å1.39ÅAromatic
C15C16sing1.38Å1.39ÅAromatic
C16C17doub1.39Å1.39ÅAromatic
C17C18sing1.38Å1.41ÅAromatic
C19C18doub1.39Å1.40ÅAromatic
C14C19sing1.38Å1.39ÅAromatic
C18Ssing1.77Å1.76Å
OSdoub1.42Å1.45Å
SO1doub1.42Å1.44Å
C20Ssing1.82Å1.76Å
C21C20sing1.54Å1.52Å
C22C21sing1.52Å1.51Å
C17C22sing1.50Å1.51Å
N3H1sing0.97Å1.00Å
C5H10sing1.08Å1.08Å
C15H16sing1.08Å1.08Å
C20H19sing1.09Å1.10Å
C20H20sing1.09Å1.10Å
C21H22sing1.09Å1.10Å
C21H21sing1.09Å1.10Å
C22H23sing1.09Å1.10Å
C22H24sing1.09Å1.10Å
C16H17sing1.08Å1.08Å
C19H18sing1.08Å1.08Å
C3Hsing1.09Å1.10Å
C1H5sing1.09Å1.10Å
C2H7sing1.09Å1.10Å
C2H8sing1.09Å1.10Å
C2H6sing1.09Å1.10Å
CH3sing1.09Å1.10Å
CH2sing1.09Å1.10Å
CH4sing1.09Å1.10Å
NH9sing0.97Å1.00Å
C12H15sing1.08Å1.08Å
C11H14sing1.08Å1.08Å
N5H13sing0.97Å1.00Å
N5H12sing0.97Å1.00Å
C9H11sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CC1C2110.1°109.5°
CC1C3111.2°109.5°
CC1H5108.3°109.5°
C1CH3109.5°109.4°
C1CH2109.5°109.5°
C1CH4109.5°109.5°
C2C1C3110.9°109.4°
C2C1H5108.1°109.5°
C1C2H7109.5°109.5°
C1C2H8109.5°109.5°
C1C2H6109.5°109.5°
C1C3N110.1°109.4°
C1C3C14113.1°109.4°
C1C3H106.8°109.4°
C3C1H5108.1°109.5°
C3NC4124.3°120.0°
NC3C14111.6°109.5°
NC3H107.9°109.5°
C3NH9105.6°120.0°
NC4N1119.6°120.9°
NC4C13120.9°120.8°
C4NH9105.6°120.0°
C4N1C5117.7°121.0°
N1C4C13119.4°118.3°
N1C5N2128.7°122.7°
N1C5H10115.6°118.6°
C5N2C6112.5°120.8°
N2C5H10115.7°118.6°
N2C6N3126.0°134.0°
N2C6C13125.6°118.5°
C6N3C7108.6°109.9°
N3C6C13108.4°107.5°
C6N3H1125.7°125.0°
N3C7C8122.2°125.3°
N3C7C12108.9°109.4°
C7N3H1125.7°125.1°
C7C8C9122.9°120.9°
C7C8C11121.4°120.8°
C8C7C12128.9°125.3°
C8C9N4123.3°119.1°
C9C8C11115.8°118.3°
C8C9H11118.4°120.5°
C9N4C10116.4°120.9°
N4C9H11118.4°120.4°
N4C10N5117.3°119.1°
N4C10N6125.0°121.9°
N5C10N6117.6°119.0°
C10N5H13109.5°120.0°
C10N5H12109.4°120.0°
C10N6C11115.8°120.9°
N6C11C8123.7°119.0°
N6C11H14118.2°120.6°
C8C11H14118.2°120.5°
C7C12C13107.1°106.8°
C7C12H15126.4°126.6°
C12C13C4137.0°134.9°
C12C13C6107.0°106.4°
C13C12H15126.4°126.6°
C4C13C6116.0°118.7°
C3C14C15121.6°120.3°
C3C14C19120.7°120.3°
C14C3H107.1°109.5°
C14C15C16120.8°119.9°
C15C14C19117.6°119.5°
C14C15H16119.6°120.1°
C15C16C17122.6°121.0°
C16C15H16119.6°120.0°
C15C16H17118.7°119.5°
C16C17C18116.1°118.8°
C16C17C22120.4°116.5°
C17C16H17118.7°119.5°
C17C18C19121.4°120.2°
C17C18S121.5°121.9°
C18C17C22123.4°124.7°
C18C19C14121.4°120.6°
C19C18S116.9°117.8°
C18C19H18119.3°119.7°
C14C19H18119.3°119.7°
C18SO108.4°104.5°
C18SO1106.5°104.4°
C18SC20105.0°103.6°
OSO1117.2°121.2°
OSC20108.7°110.6°
O1SC20110.3°110.7°
SC20C21109.5°107.0°
SC20H19109.5°109.9°
SC20H20109.5°110.0°
C20C21C22111.8°109.1°
C21C20H19109.5°109.9°
C21C20H20109.5°110.0°
C20C21H22108.9°109.5°
C20C21H21108.9°109.6°
C21C22C17113.8°113.9°
C22C21H22108.9°109.6°
C22C21H21108.9°109.6°
C21C22H23108.4°108.6°
C21C22H24108.4°108.6°
C17C22H23108.4°108.6°
C17C22H24108.4°108.6°
H19C20H20109.5°109.9°
H22C21H21109.5°109.5°
H23C22H24109.4°108.5°
H7C2H8109.4°109.4°
H7C2H6109.4°109.4°
H8C2H6109.5°109.5°
H3CH2109.5°109.5°
H3CH4109.4°109.5°
H2CH4109.5°109.5°
H13N5H12109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CC1C2C3123.5°120.0°
CC1C2H5118.1°120.0°
CC1C3H5118.8°120.0°
CC1C3N180.0°60.0°
CC1C3C1454.4°180.0°
CC1C3H63.2°60.0°
CC1C2H7180.0°60.0°
CC1C2H860.0°60.0°
CC1C2H660.0°180.0°
C1CH3H2120.0°120.0°
C1CH3H4120.0°120.0°
C1CH2H4120.0°120.0°
C2C1C3H5118.4°120.0°
C2C1C3N57.2°180.0°
C2C1C3C14177.2°60.0°
C2C1C3H59.7°60.0°
C1C2H7H8120.0°120.0°
C1C2H7H6120.0°120.0°
C1C2H8H6120.0°120.0°
C2C1CH3180.0°180.0°
C2C1CH260.0°60.0°
C2C1CH460.0°60.0°
C1C3NC14126.5°120.0°
C1C3NH116.2°120.0°
C1C3NC4146.4°85.1°
C1C3C14H117.4°120.0°
C1C3C14C15109.7°80.0°
C1C3C14C1970.4°100.1°
C3C1C2H756.5°60.0°
C3C1C2H8176.5°180.0°
C3C1C2H663.5°60.0°
C3C1CH356.7°60.0°
C3C1CH263.3°179.9°
C3C1CH4176.7°60.0°
C1C3NH991.6°95.0°
C3NC4H9122.0°179.9°
C3NC4N120.8°0.1°
C3NC4C13164.1°179.9°
NC3C14H117.8°120.1°
NC3C14C15125.5°39.9°
NC3C14C1954.4°140.0°
NC3C1H561.2°60.0°
NC4N1C13175.2°180.0°
NC4N1C5173.8°180.0°
NC4C13C124.3°0.1°
NC4C13C6172.2°180.0°
C4NC3C1487.1°155.0°
C4NC3H30.2°34.9°
C4N1C5N22.8°0.0°
N1C4C13C12179.4°179.9°
N1C4C13C62.9°0.0°
C4N1C5H10177.2°180.0°
N1C4NH9142.8°180.0°
N1C5N2H10180.0°180.0°
N1C5N2C64.7°0.0°
C5N1C4C131.3°0.0°
C5N2C6N3177.9°180.0°
C5N2C6C132.6°0.0°
N2C6N3C13179.6°180.0°
N2C6N3C7178.8°179.9°
N2C6C13C12178.4°180.0°
N2C6C13C40.9°0.0°
N2C6N3H11.2°0.0°
C6N2C5H10175.3°180.0°
C6N3C7H1180.0°180.0°
C6N3C7C8178.6°180.0°
C6N3C7C120.0°0.1°
N3C6C13C121.2°0.0°
N3C6C13C4178.7°180.0°
N3C7C8C12178.2°179.9°
N3C7C8C913.7°0.0°
N3C7C8C11165.1°179.8°
N3C7C12C130.8°0.0°
C7N3C6C130.8°0.1°
N3C7C12H15179.2°180.0°
C7C8C9C11178.9°179.8°
C7C8C9N4178.1°180.0°
C7C8C11N6178.5°180.0°
C8C7C12C13179.2°180.0°
C8C7N3H11.4°0.0°
C8C7C12H150.8°0.0°
C7C8C11H141.5°0.0°
C7C8C9H111.9°0.0°
C8C9N4H11180.0°180.0°
C8C9N4C102.6°0.0°
C9C8C11N62.6°0.2°
C9C8C7C12164.5°179.9°
C9C8C11H14177.4°179.7°
C9N4C10N5176.5°180.0°
C9N4C10N61.5°0.2°
N4C9C8C113.1°0.3°
N4C10N5N6178.2°179.8°
N4C10N6C111.0°0.2°
N4C10N5H130.0°179.7°
N4C10N5H12120.0°0.3°
C10N4C9H11177.4°180.0°
N5C10N6C11176.9°180.0°
C10N5H13H12120.0°180.0°
C10N6C11C81.6°0.0°
C10N6C11H14178.4°180.0°
N6C10N5H13178.2°0.0°
N6C10N5H1258.1°179.9°
N6C11C8H14180.0°180.0°
C11C8C7C1216.7°0.1°
C11C8C9H11176.9°179.8°
C7C12C13H15180.0°180.0°
C7C12C13C4177.9°179.9°
C7C12C13C61.2°0.0°
C12C7N3H1180.0°180.0°
C12C13C4C6176.5°179.9°
C13C4NH942.1°0.1°
C4C13C12H152.1°0.1°
C13C6N3H1179.2°180.0°
C6C13C12H15178.8°180.0°
C3C14C15C19180.0°179.9°
C3C14C15C16178.5°179.8°
C3C14C19C18178.6°179.5°
C3C14C15H161.5°0.5°
C3C14C19H181.4°0.3°
C14C3C1H564.4°60.0°
C14C3NH934.9°24.9°
C14C15C16H16180.0°179.7°
C14C15C16C171.2°0.2°
C15C14C19C181.4°0.5°
C14C15C16H17178.8°179.7°
C15C14C19H18178.6°179.7°
C15C14C3H7.7°160.0°
C15C16C17H17180.0°179.9°
C15C16C17C180.8°0.5°
C16C15C14C191.5°0.3°
C15C16C17C22177.6°178.7°
C16C17C18C22178.3°179.1°
C16C17C18C190.6°0.2°
C16C17C18S174.3°179.6°
C16C17C22C21155.4°157.0°
C17C16C15H16178.8°180.0°
C16C17C22H2383.9°81.8°
C16C17C22H2434.8°35.9°
C17C18C19S175.2°179.8°
C17C18C19C141.0°0.3°
C17C18SO131.7°103.9°
C17C18SO1101.4°127.9°
C17C18SC2015.6°12.0°
C18C17C22C2126.4°23.8°
C18C17C22H2394.3°97.3°
C18C17C22H24147.0°144.9°
C18C17C16H17179.3°179.4°
C17C18C19H18179.0°179.5°
C18C19C14H18180.0°179.2°
C19C18SO53.2°75.9°
C19C18SO173.8°52.3°
C19C18SC20169.2°168.2°
C19C18C17C22177.6°178.9°
C14C19C18S174.2°179.9°
C19C14C15H16178.5°179.4°
C19C14C3H172.3°19.9°
C18SOO1120.5°117.2°
C18SOC20113.6°110.9°
C18SO1C20113.4°110.9°
C18SC20C2143.5°44.9°
SC18C17C227.4°1.3°
C18SC20H1976.4°74.5°
C18SC20H20163.5°164.4°
SC18C19H185.8°0.7°
OSO1C20125.1°131.8°
OSC20C21159.4°66.6°
OSC20H1939.4°174.0°
OSC20H2080.6°52.9°
O1SC20C2170.8°156.3°
O1SC20H19169.2°37.0°
O1SC20H2049.2°84.2°
SC20C21H19120.0°119.3°
SC20C21H20120.0°119.5°
SC20C21C2267.8°71.5°
SC20H19H20120.0°121.2°
SC20C21H22171.9°48.4°
SC20C21H2152.6°168.5°
C20C21C22H22120.3°119.9°
C20C21C22H21120.4°120.0°
C20C21C22C1758.2°61.3°
C21C20H19H20120.0°121.2°
C20C21H22H21119.0°120.2°
C20C21C22H2362.5°59.9°
C20C21C22H24178.8°177.6°
C21C22C17H23120.7°121.2°
C21C22C17H24120.7°121.1°
C22C21C20H1952.2°47.8°
C22C21C20H20172.2°169.0°
C22C21H22H21118.9°120.2°
C21C22H23H24118.0°117.9°
C17C22C21H22178.5°58.6°
C17C22C21H2162.2°178.7°
C17C22H23H24118.0°117.8°
C22C17C16H172.4°1.4°
H16C15C16H171.2°0.0°
H19C20C21H2268.1°167.8°
H19C20C21H21172.5°72.1°
H20C20C21H2251.9°71.1°
H20C20C21H2167.4°49.0°
H22C21C22H2357.9°179.8°
H22C21C22H2460.8°62.5°
H21C21C22H23177.2°60.1°
H21C21C22H2458.5°57.7°
HC3C1H5178.1°180.0°
HC3NH9152.2°145.0°
H5C1C2H761.9°180.0°
H5C1C2H858.1°60.0°
H5C1C2H6178.1°60.0°
H5C1CH362.0°60.0°
H5C1CH2178.0°60.1°
H5C1CH458.0°180.0°
H7C2H8H6119.9°119.9°
H3CH2H4120.0°120.0°

222036

PDB entries from 2024-07-03

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