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NN3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C4C5sing1.53Å1.52Å
C4C7sing1.53Å1.52Å
C4C3sing1.53Å1.52Å
C4H4sing1.09Å1.10Å
C5C6sing1.53Å1.53Å
C5H51sing1.09Å1.10Å
C5H52sing1.09Å1.10Å
C6C1sing1.53Å1.51Å
C6H61sing1.09Å1.10Å
C6H62sing1.09Å1.10Å
C11C10doub1.39Å1.39ÅAromatic
C11C12sing1.37Å1.39ÅAromatic
C11N14sing1.40Å1.38Å
C7H71sing1.09Å1.10Å
C7H72sing1.09Å1.10Å
C7H73sing1.09Å1.10Å
C8O27doub1.21Å1.23Å
C8C1sing1.51Å1.50Å
C8N14sing1.35Å1.32Å
C10C15sing1.41Å1.48Å
C10S9sing1.79Å1.71ÅAromatic
C12C13doub1.38Å1.39ÅAromatic
C12H12sing1.08Å1.08Å
C13S9sing1.78Å1.75ÅAromatic
C13C16sing1.48Å1.49ÅAromatic
C3C2sing1.53Å1.52Å
C3H31sing1.09Å1.10Å
C3H32sing1.09Å1.10Å
C1C2sing1.53Å1.53Å
C1H1sing1.09Å1.10Å
C2H21Asing1.09Å1.10Å
C2H22Asing1.09Å1.10Å
N14C22sing1.47Å1.48Å
C22C24sing1.53Å1.52Å
C22C23sing1.53Å1.53Å
C22H22sing1.09Å1.10Å
C24H241sing1.09Å1.10Å
C24H242sing1.09Å1.10Å
C24H243sing1.09Å1.10Å
C23H231sing1.09Å1.10Å
C23H232sing1.09Å1.10Å
C23H233sing1.09Å1.10Å
C15O26doub1.22Å1.25Å
C15O25sing1.35Å1.23Å
O25HO25sing0.97Å0.95Å
C16C21doub1.40Å1.40ÅAromatic
C16C17sing1.40Å1.39ÅAromatic
C21C20sing1.38Å1.39ÅAromatic
C21H21sing1.08Å1.08Å
C20C19doub1.38Å1.39ÅAromatic
C20H20sing1.08Å1.08Å
C19C18sing1.38Å1.39ÅAromatic
C19H19sing1.08Å1.08Å
C18C17doub1.38Å1.39ÅAromatic
C18H18sing1.08Å1.08Å
C17H17sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C5C4C7112.0°109.4°
C5C4C3110.0°109.5°
C5C4H4107.9°109.5°
C4C5C6111.5°109.4°
C4C5H51108.3°109.4°
C4C5H52108.8°109.5°
C7C4C3111.0°109.5°
C7C4H4106.9°109.5°
C4C7H71109.5°109.5°
C4C7H72109.5°109.4°
C4C7H73109.5°109.5°
C3C4H4109.0°109.5°
C4C3C2109.7°109.4°
C4C3H31109.3°109.4°
C4C3H32109.4°109.5°
C6C5H51108.3°109.4°
C6C5H52108.8°109.5°
C5C6C1108.1°109.5°
C5C6H61110.2°109.5°
C5C6H62109.9°109.5°
H51C5H52111.1°109.5°
C1C6H61110.2°109.5°
C1C6H62109.9°109.4°
C6C1C8111.9°109.5°
C6C1C2110.4°109.5°
C6C1H1106.2°109.5°
H61C6H62108.4°109.5°
C10C11C12115.1°118.3°
C10C11N14123.7°120.9°
C11C10C15131.6°128.9°
C11C10S9111.5°102.2°
C12C11N14121.1°120.8°
C11C12C13109.6°118.8°
C11C12H12125.2°120.6°
C11N14C8122.4°120.0°
C11N14C22121.2°120.0°
H71C7H72109.5°109.5°
H71C7H73109.5°109.5°
H72C7H73109.5°109.5°
O27C8C1120.6°120.0°
O27C8N14121.8°120.0°
C1C8N14117.7°120.0°
C8C1C2106.1°109.4°
C8C1H1110.4°109.5°
C8N14C22116.4°120.0°
C15C10S9116.9°128.9°
C10C15O26119.2°120.0°
C10C15O25119.1°120.0°
C10S9C1390.2°98.3°
C13C12H12125.2°120.6°
C12C13S9113.5°102.4°
C12C13C16132.0°128.8°
S9C13C16114.5°128.8°
C13C16C21122.0°120.2°
C13C16C17118.1°120.1°
C2C3H31109.4°109.5°
C2C3H32109.4°109.4°
C3C2C1111.8°109.5°
C3C2H21A108.2°109.4°
C3C2H22A108.7°109.4°
H31C3H32109.7°109.5°
C2C1H1111.9°109.5°
C1C2H21A108.2°109.5°
C1C2H22A108.7°109.5°
H21AC2H22A111.3°109.5°
N14C22C24107.0°109.5°
N14C22C23115.2°109.5°
N14C22H22107.6°109.5°
C24C22C23110.4°109.4°
C24C22H22112.6°109.5°
C22C24H241109.5°109.5°
C22C24H242109.5°109.5°
C22C24H243109.5°109.5°
C23C22H22104.1°109.5°
C22C23H231109.5°109.5°
C22C23H232109.4°109.5°
C22C23H233109.5°109.5°
H241C24H242109.5°109.5°
H241C24H243109.5°109.5°
H242C24H243109.5°109.4°
H231C23H232109.5°109.5°
H231C23H233109.4°109.5°
H232C23H233109.4°109.4°
O26C15O25121.6°120.0°
C15O25HO25109.5°106.8°
C21C16C17119.9°119.7°
C16C21C20119.8°119.9°
C16C21H21120.1°120.1°
C16C17C18120.2°119.8°
C16C17H17119.9°120.1°
C20C21H21120.1°120.0°
C21C20C19119.7°120.1°
C21C20H20120.1°120.0°
C19C20H20120.1°119.9°
C20C19C18120.5°120.3°
C20C19H19119.8°119.8°
C18C19H19119.7°119.8°
C19C18C17119.9°120.1°
C19C18H18120.1°119.9°
C17C18H18120.1°120.0°
C18C17H17119.9°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C5C4C7C3123.3°120.0°
C5C4C7H4118.0°120.0°
C5C4C3H4118.1°120.0°
C4C5C6H51119.1°119.9°
C4C5C6H52120.0°120.0°
C4C5H51H52119.5°120.1°
C4C5C6C160.1°60.0°
C4C5C6H61179.4°60.0°
C4C5C6H6259.9°180.0°
C5C4C7H710.1°60.0°
C5C4C7H72119.9°180.0°
C5C4C7H73120.1°60.0°
C5C4C3C256.0°60.0°
C5C4C3H31175.9°180.0°
C5C4C3H3264.0°60.0°
C7C4C3H4117.4°120.0°
C7C4C5C6176.8°180.0°
C7C4C5H5164.1°60.1°
C7C4C5H5256.8°60.0°
C4C7H71H72120.0°119.9°
C4C7H71H73120.0°120.0°
C4C7H72H73120.0°120.0°
C7C4C3C2179.5°180.0°
C7C4C3H3159.6°60.0°
C7C4C3H3260.5°60.0°
C3C4C5C659.3°60.0°
C3C4C5H5159.8°180.0°
C3C4C5H52179.3°60.0°
C3C4C7H71123.4°60.0°
C3C4C7H723.4°60.0°
C3C4C7H73116.6°180.0°
C4C3C2H31119.9°120.0°
C4C3C2H32120.0°120.0°
C4C3H31H32119.9°120.0°
C4C3C2C156.1°60.0°
C4C3C2H21A62.9°180.0°
C4C3C2H22A176.1°60.0°
H4C4C5C659.5°60.0°
H4C4C5H51178.6°60.0°
H4C4C5H5260.5°179.9°
H4C4C7H71117.8°180.0°
H4C4C7H72122.2°60.0°
H4C4C7H732.1°60.0°
H4C4C3C262.1°60.0°
H4C4C3H3157.8°60.0°
H4C4C3H32177.9°180.0°
C6C5H51H52119.4°120.0°
C5C6C1H61120.5°120.1°
C5C6C1H62120.0°120.0°
C5C6H61H62120.4°120.0°
C5C6C1C8176.3°59.9°
C5C6C1C258.4°60.0°
C5C6C1H163.1°180.0°
H51C5C6C159.0°180.0°
H51C5C6H6161.5°60.0°
H51C5C6H62179.0°60.1°
H52C5C6C1179.9°60.0°
H52C5C6H6159.4°180.0°
H52C5C6H6260.1°60.0°
C1C6H61H62120.4°119.9°
C6C1C8O2750.2°18.1°
C6C1C8C2120.5°120.0°
C6C1C8H1118.0°120.0°
C6C1C8N14130.0°161.8°
C6C1C2C358.3°60.0°
C6C1C2H1118.0°120.0°
C6C1C2H21A60.7°180.0°
C6C1C2H22A178.3°60.0°
H61C6C1C863.1°180.0°
H61C6C1C2178.9°60.0°
H61C6C1H157.4°60.0°
H62C6C1C856.3°60.0°
H62C6C1C261.6°180.0°
H62C6C1H1176.9°60.0°
C10C11C12N14179.5°179.7°
C10C11N14C893.2°90.5°
C11C10C15S9179.5°179.7°
C10C11C12C130.6°0.3°
C10C11C12H12179.4°179.8°
C11C10S9C130.5°0.3°
C10C11N14C2288.2°89.4°
C11C10C15O26178.3°5.8°
C11C10C15O253.3°174.2°
C12C11N14C887.3°89.2°
C12C11C10C15179.5°179.9°
C12C11C10S90.1°0.3°
C11C12C13H12180.0°179.9°
C11C12C13S91.0°0.1°
C11C12C13C16178.5°180.0°
C12C11N14C2291.3°90.9°
C11N14C8O27179.5°174.1°
C11N14C8C10.2°6.0°
C11N14C8C22178.6°180.0°
N14C11C10C150.1°0.2°
N14C11C10S9179.6°180.0°
N14C11C12C13179.0°180.0°
N14C11C12H121.0°0.1°
C11N14C22C2481.5°122.9°
C11N14C22C2341.7°117.1°
C11N14C22H22157.2°3.0°
H71C7H72H73120.0°120.1°
O27C8C1N14179.7°179.9°
O27C8C1C270.2°101.9°
O27C8C1H1168.3°138.1°
O27C8N14C220.8°5.9°
C8C1C2C3179.8°60.0°
C8C1C2H1120.5°120.0°
C8C1C2H21A60.7°60.0°
C8C1C2H22A60.2°180.0°
C1C8N14C22178.9°174.0°
N14C8C1C2109.5°78.2°
N14C8C1H112.0°41.8°
C8N14C22C2497.2°57.0°
C8N14C22C23139.7°62.9°
C8N14C22H2224.1°177.0°
C15C10S9C13179.1°180.0°
C10C15O26O25178.4°180.0°
C10C15O25HO25178.4°180.0°
C10S9C13C120.9°0.1°
C10S9C13C16178.9°179.8°
S9C10C15O261.2°174.5°
S9C10C15O25177.2°5.5°
C12C13S9C16178.0°179.9°
C12C13C16C21160.7°140.2°
C12C13C16C1720.8°40.0°
H12C12C13S9179.0°180.0°
H12C12C13C161.5°0.1°
S9C13C16C2121.8°39.7°
S9C13C16C17156.7°140.1°
C13C16C21C17178.4°179.8°
C13C16C21C20179.2°180.0°
C13C16C21H210.8°0.0°
C13C16C17C18179.8°179.7°
C13C16C17H170.2°0.2°
C2C3H31H32120.0°120.0°
C3C2C1H21A119.0°119.9°
C3C2C1H22A120.0°120.0°
C3C2C1H159.7°180.0°
C3C2H21AH22A119.4°119.9°
H31C3C2C1176.0°180.0°
H31C3C2H21A57.0°60.0°
H31C3C2H22A64.0°60.0°
H32C3C2C163.9°60.0°
H32C3C2H21A177.1°60.0°
H32C3C2H22A56.1°180.0°
C1C2H21AH22A119.4°120.0°
H1C1C2H21A178.7°60.0°
H1C1C2H22A60.3°60.0°
N14C22C24C23126.1°120.0°
N14C22C24H22118.1°120.0°
N14C22C23H22117.6°120.0°
N14C22C24H241150.1°173.9°
N14C22C24H24290.0°66.1°
N14C22C24H24330.0°53.8°
N14C22C23H231122.4°56.1°
N14C22C23H232117.5°63.9°
N14C22C23H2332.4°176.1°
C24C22C23H22121.1°120.0°
C22C24H241H242120.0°120.0°
C22C24H241H243120.0°120.0°
C22C24H242H243120.0°120.0°
C24C22C23H231116.2°63.9°
C24C22C23H2323.8°176.1°
C24C22C23H233123.8°56.1°
C23C22C24H24124.0°53.9°
C23C22C24H242144.0°173.9°
C23C22C24H24396.0°66.2°
C22C23H231H232120.0°120.0°
C22C23H231H233120.0°120.0°
C22C23H232H233120.0°120.0°
H22C22C24H24191.8°66.1°
H22C22C24H24228.1°53.9°
H22C22C24H243148.1°173.8°
H22C22C23H2314.9°176.1°
H22C22C23H232124.9°56.1°
H22C22C23H233115.1°63.8°
H241C24H242H243120.0°120.0°
H231C23H232H233120.0°120.0°
O26C15O25HO250.0°0.0°
C16C21C20H21180.0°180.0°
C16C21C20C190.4°0.0°
C16C21C20H20179.5°180.0°
C21C16C17C181.3°0.5°
C21C16C17H17178.7°180.0°
C17C16C21C200.8°0.2°
C17C16C21H21179.2°179.8°
C16C17C18C191.5°0.5°
C16C17C18H17180.0°179.5°
C16C17C18H18178.5°179.8°
C21C20C19H20180.0°180.0°
C21C20C19C180.6°0.0°
C21C20C19H19179.4°179.9°
H21C21C20C19179.6°180.0°
H21C21C20H200.4°0.0°
C20C19C18H19180.0°179.9°
C20C19C18C171.1°0.3°
C20C19C18H18178.9°180.0°
H20C20C19C18179.4°180.0°
H20C20C19H190.6°0.1°
C19C18C17H18180.0°179.7°
C19C18C17H17178.5°180.0°
H19C19C18C17178.9°179.8°
H19C19C18H181.1°0.1°
H18C18C17H171.5°0.3°

222415

PDB entries from 2024-07-10

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