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NN4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C4C3sing1.54Å1.52Å
C4C5sing1.54Å1.53Å
C4H41sing1.10Å1.10Å
C4H42sing1.10Å1.10Å
C5C9sing1.55Å1.52Å
C5C6sing1.54Å1.53Å
C5H5sing1.10Å1.10Å
C6C1sing1.54Å1.52Å
C6H61sing1.10Å1.10Å
C6H62sing1.10Å1.10Å
C7C10sing1.54Å1.52Å
C7C1sing1.54Å1.52Å
C7H71sing1.10Å1.10Å
C7H72sing1.10Å1.10Å
C8C3sing1.54Å1.52Å
C8C10sing1.54Å1.52Å
C8H81sing1.10Å1.10Å
C8H82sing1.10Å1.10Å
C10C9sing1.54Å1.52Å
C10H10sing1.10Å1.10Å
C15C16sing1.53Å1.50Å
C15N11sing1.39Å1.38Å
C15O17doub1.23Å1.22Å
C20C16sing1.53Å1.51Å
C20H201sing1.09Å1.10Å
C20H202sing1.10Å1.10Å
C20H203sing1.10Å1.10Å
C21C26doub1.39Å1.38ÅAromatic
C21C22sing1.39Å1.38ÅAromatic
C21O18sing1.37Å1.38Å
C22C23doub1.40Å1.37ÅAromatic
C22H22sing1.09Å1.08Å
C24O27sing1.36Å1.39Å
C24C25doub1.39Å1.38ÅAromatic
C24C23sing1.39Å1.38ÅAromatic
C26C25sing1.40Å1.37ÅAromatic
C26H26sing1.09Å1.08Å
C28O27sing1.43Å1.42Å
C28H281sing1.09Å1.10Å
C28H282sing1.09Å1.10Å
C28H283sing1.09Å1.10Å
N11C9sing1.44Å1.45Å
N11HN11sing1.02Å1.00Å
C9H9sing1.10Å1.10Å
C3C2sing1.54Å1.52Å
C3H3sing1.10Å1.10Å
C2C1sing1.54Å1.52Å
C2H21sing1.10Å1.10Å
C2H22Asing1.10Å1.10Å
C1C12sing1.50Å1.50Å
C12O14doub1.23Å1.22Å
C12N13sing1.38Å1.37Å
N13H131sing1.01Å1.00Å
N13H132sing1.02Å1.00Å
C16O18sing1.43Å1.44Å
C16C19sing1.53Å1.51Å
C19H191sing1.10Å1.10Å
C19H192sing1.10Å1.10Å
C19H193sing1.09Å1.10Å
C25H25sing1.09Å1.08Å
C23H23sing1.09Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C3C4C5109.6°110.2°
C3C4H41109.4°110.0°
C3C4H42109.4°109.7°
C4C3C8108.9°109.3°
C4C3C2109.4°109.2°
C4C3H3109.5°109.7°
C5C4H41109.4°110.8°
C5C4H42109.4°109.7°
C4C5C9110.1°110.4°
C4C5C6109.6°108.7°
C4C5H5108.9°109.4°
H41C4H42109.6°106.3°
C9C5C6109.2°108.5°
C9C5H5109.2°110.2°
C5C9C10108.6°109.6°
C5C9N11111.5°112.7°
C5C9H9109.4°108.7°
C6C5H5109.8°109.7°
C5C6C1109.6°110.1°
C5C6H61109.5°109.8°
C5C6H62109.4°110.0°
C1C6H61109.4°110.4°
C1C6H62109.4°110.3°
C6C1C7108.4°109.4°
C6C1C2108.9°109.0°
C6C1C12110.1°110.1°
H61C6H62109.6°106.2°
C10C7C1109.6°110.1°
C10C7H71109.4°109.9°
C10C7H72109.4°109.9°
C7C10C8108.9°108.7°
C7C10C9109.1°108.5°
C7C10H10110.4°109.6°
C1C7H71109.4°110.3°
C1C7H72109.4°110.3°
C7C1C2110.8°109.0°
C7C1C12110.7°109.3°
H71C7H72109.6°106.1°
C3C8C10110.9°110.2°
C3C8H81109.0°109.8°
C3C8H82108.7°110.0°
C8C3C2108.5°109.2°
C8C3H3110.5°109.8°
C10C8H81109.0°109.8°
C10C8H82108.7°110.4°
C8C10C9110.3°110.4°
C8C10H10109.2°109.3°
H81C8H82110.6°106.6°
C9C10H10108.9°110.3°
C10C9N11111.6°112.1°
C10C9H9109.4°108.9°
C16C15N11112.6°113.9°
C16C15O17121.5°122.0°
C15C16C20108.0°111.1°
C15C16O18105.8°107.3°
C15C16C19107.3°111.7°
N11C15O17125.8°124.1°
C15N11C9123.2°122.1°
C15N11HN11118.4°119.9°
C16C20H201109.5°112.3°
C16C20H202109.5°110.8°
C16C20H203109.4°110.7°
C20C16O18108.0°107.0°
C20C16C19110.7°111.3°
H201C20H202109.5°108.3°
H201C20H203109.5°107.9°
H202C20H203109.5°106.6°
C26C21C22121.6°120.5°
C26C21O18118.5°119.8°
C21C26C25118.2°119.8°
C21C26H26120.9°120.6°
C22C21O18119.9°119.7°
C21C22C23120.0°119.7°
C21C22H22120.0°120.5°
C21O18C16115.4°116.6°
C23C22H22120.0°119.7°
C22C23C24118.7°120.0°
C22C23H23120.7°119.6°
O27C24C25117.3°120.0°
O27C24C23121.6°119.9°
C24O27C28109.3°117.0°
C25C24C23121.1°120.0°
C24C25C26120.4°120.0°
C24C25H25119.8°120.3°
C24C23H23120.6°120.4°
C25C26H26120.9°119.6°
C26C25H25119.8°119.7°
O27C28H281109.5°109.5°
O27C28H282109.5°109.5°
O27C28H283109.5°109.0°
H281C28H282109.4°110.0°
H281C28H283109.4°109.3°
H282C28H283109.5°109.4°
C9N11HN11118.4°117.9°
N11C9H9106.3°104.6°
C2C3H3110.0°109.7°
C3C2C1109.9°110.0°
C3C2H21109.3°110.0°
C3C2H22A109.2°109.8°
C1C2H21109.3°110.4°
C1C2H22A109.2°110.5°
C2C1C12107.9°110.1°
H21C2H22A109.8°106.2°
C1C12O14122.7°122.1°
C1C12N13113.7°113.8°
O14C12N13123.5°124.0°
C12N13H131110.5°118.7°
C12N13H132124.8°122.6°
H131N13H132124.8°118.7°
O18C16C19116.6°108.3°
C16C19H191109.5°110.7°
C16C19H192109.5°110.8°
C16C19H193109.5°112.3°
H191C19H192109.5°106.7°
H191C19H193109.4°107.8°
H192C19H193109.5°108.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C3C4C5H41120.0°122.0°
C3C4C5H42120.0°120.8°
C3C4H41H42120.0°118.7°
C3C4C5C960.9°59.0°
C3C4C5C659.3°59.9°
C3C4C5H5179.4°179.6°
C4C3C8C2119.0°119.4°
C4C3C8H3120.3°120.4°
C4C3C8C1058.6°59.4°
C4C3C8H81178.6°179.6°
C4C3C8H8260.8°62.5°
C4C3C2H3120.4°120.2°
C4C3C2C160.2°59.7°
C4C3C2H2159.8°62.0°
C4C3C2H22A180.0°178.5°
C5C4H41H42120.0°119.2°
C4C5C9C6120.4°119.0°
C4C5C9H5119.5°120.9°
C4C5C6H5119.5°119.5°
C4C5C6C160.0°59.9°
C4C5C6H6160.0°178.3°
C4C5C6H62179.9°61.8°
C5C4C3C859.2°59.4°
C4C5C9C1059.9°57.6°
C4C5C9N1163.5°68.1°
C4C5C9H9179.2°176.4°
C5C4C3C259.3°60.0°
C5C4C3H3179.9°179.8°
H41C4C5C959.1°63.1°
H41C4C5C6179.3°178.0°
H41C4C5H560.6°58.3°
H41C4C3C860.8°63.1°
H41C4C3C2179.3°177.5°
H41C4C3H360.1°57.3°
H42C4C5C9179.2°179.8°
H42C4C5C660.7°60.9°
H42C4C5H559.4°58.8°
H42C4C3C8179.1°179.8°
H42C4C3C260.7°60.9°
H42C4C3H360.0°59.3°
C9C5C6H5119.8°120.4°
C9C5C6C160.8°60.2°
C9C5C6H61179.3°61.6°
C9C5C6H6259.2°178.1°
C5C9C10C761.0°61.4°
C5C9C10C858.6°57.6°
C5C9C10N11123.3°126.0°
C5C9C10H9119.3°118.7°
C5C9C10H10178.4°178.5°
C5C9N11C1587.5°147.9°
C5C9N11H9119.2°117.9°
C5C9N11HN1192.5°30.9°
C5C6C1H61120.0°121.4°
C5C6C1H62120.0°121.5°
C5C6H61H62120.0°118.9°
C5C6C1C760.4°59.1°
C6C5C9C1060.5°61.4°
C6C5C9N11176.1°172.9°
C6C5C9H958.8°57.4°
C5C6C1C260.2°60.0°
C5C6C1C12178.4°179.2°
H5C5C6C1179.5°179.5°
H5C5C6H6159.5°58.8°
H5C5C6H6260.6°57.7°
H5C5C9C10179.4°178.5°
H5C5C9N1156.0°52.8°
H5C5C9H961.3°62.7°
C1C6H61H62120.0°119.5°
C6C1C7C1061.0°59.1°
C6C1C7C2119.5°119.1°
C6C1C7C12120.9°120.6°
C6C1C7H71179.0°179.4°
C6C1C7H7258.9°62.4°
C6C1C2C360.5°59.7°
C6C1C2C12119.6°120.8°
C6C1C2H2159.5°61.8°
C6C1C2H22A179.6°179.0°
C6C1C12O1479.1°119.8°
C6C1C12N13101.1°61.1°
H61C6C1C7179.6°62.3°
H61C6C1C259.8°178.6°
H61C6C1C1258.4°57.7°
H62C6C1C759.6°179.3°
H62C6C1C2179.8°61.5°
H62C6C1C1261.6°59.3°
C10C7C1H71120.0°121.5°
C10C7C1H72119.9°121.5°
C10C7H71H72119.9°118.8°
C7C10C8C360.8°59.9°
C7C10C8C9119.8°118.9°
C7C10C8H10120.6°119.6°
C7C10C8H8159.2°61.1°
C7C10C8H82179.8°178.4°
C7C10C9H10120.5°120.0°
C7C10C9N11175.6°172.6°
C7C10C9H958.3°57.3°
C10C7C1C258.5°60.0°
C10C7C1C12178.1°179.7°
C1C7H71H72119.9°119.5°
C1C7C10C858.7°60.0°
C1C7C10C961.8°60.2°
C1C7C10H10178.5°179.4°
C7C1C2C358.6°59.6°
C7C1C2C12121.3°119.8°
C7C1C2H21178.6°178.9°
C7C1C2H22A61.2°61.7°
C7C1C12O14161.0°0.3°
C7C1C12N1318.7°178.8°
H71C7C10C861.3°61.8°
H71C7C10C9178.2°178.1°
H71C7C10H1058.5°57.6°
H71C7C1C261.5°61.5°
H71C7C1C1258.1°58.8°
H72C7C10C8178.6°178.3°
H72C7C10C958.1°61.6°
H72C7C10H1061.6°58.9°
H72C7C1C2178.4°178.5°
H72C7C1C1261.9°58.1°
C3C8C10H81120.0°121.0°
C3C8C10H82119.4°121.7°
C3C8H81H82119.4°119.2°
C3C8C10C959.0°59.0°
C3C8C10H10178.7°179.5°
C8C3C2H3120.9°120.4°
C8C3C2C158.5°59.7°
C8C3C2H21178.5°178.6°
C8C3C2H22A61.3°62.1°
C10C8H81H82119.4°119.6°
C8C10C9H10119.8°120.9°
C8C10C9N1164.8°68.4°
C8C10C9H9177.9°176.3°
C10C8C3C260.5°60.0°
C10C8C3H3178.9°179.7°
H81C8C10C9179.0°179.9°
H81C8C10H1061.4°58.5°
H81C8C3C259.5°61.1°
H81C8C3H361.1°59.2°
H82C8C10C960.4°62.7°
H82C8C10H1059.3°58.8°
H82C8C3C2179.9°178.1°
H82C8C3H359.5°57.8°
C10C9N11C15150.9°87.8°
C10C9N11H9119.2°117.8°
C10C9N11HN1129.1°93.3°
H10C10C9N1155.1°52.5°
H10C10C9H962.3°62.8°
C16C15N11O17179.3°180.0°
C15C16C20O18114.0°116.8°
C15C16C20C19117.2°125.1°
C15C16C20H20153.0°66.9°
C15C16C20H20267.1°171.8°
C15C16C20H203172.9°53.8°
C15C16O18C21130.0°60.0°
C16C15N11C9174.6°180.0°
C16C15N11HN115.4°1.2°
C15C16O18C19119.2°120.7°
C15C16C19H19136.1°53.1°
C15C16C19H192156.1°171.2°
C15C16C19H19383.9°67.4°
N11C15C16C20118.3°60.0°
C15N11C9HN11180.0°178.8°
C15N11C9H931.7°30.0°
N11C15C16O182.8°56.7°
N11C15C16C19122.4°175.2°
O17C15C16C2062.4°120.0°
O17C15N11C96.1°0.0°
O17C15N11HN11173.9°178.8°
O17C15C16O18177.9°123.4°
O17C15C16C1956.9°4.9°
C16C20H201H202120.0°122.7°
C16C20H201H203120.0°122.3°
C16C20H202H203119.9°120.5°
C20C16O18C21114.5°179.3°
C20C16O18C19125.3°120.0°
C20C16C19H19181.6°177.8°
C20C16C19H19238.5°64.0°
C20C16C19H193158.5°57.4°
H201C20H202H203120.0°115.9°
H201C20C16O18167.0°176.3°
H201C20C16C1964.3°58.2°
H202C20C16O1846.9°55.0°
H202C20C16C19175.7°63.1°
H203C20C16O1873.0°63.1°
H203C20C16C1955.7°178.9°
C26C21C22O18178.5°179.9°
C26C21C22C230.9°0.0°
C26C21C22H22179.1°180.0°
C21C26C25C240.2°0.0°
C21C26C25H26180.0°180.0°
C26C21O18C1697.6°90.0°
C21C26C25H25179.8°180.0°
C21C22C23H22180.0°180.0°
C21C22C23C240.7°0.0°
C22C21C26C250.7°0.0°
C22C21C26H26179.4°180.0°
C22C21O18C1683.9°90.0°
C21C22C23H23179.3°180.0°
O18C21C22C23179.4°179.9°
O18C21C22H220.6°0.1°
O18C21C26C25179.2°179.9°
O18C21C26H260.8°0.1°
C21O18C16C1910.8°60.7°
C22C23C24O27179.8°180.0°
C22C23C24C250.3°0.0°
C22C23C24H23180.0°180.0°
H22C22C23C24179.3°180.0°
H22C22C23H230.7°0.0°
O27C24C25C23179.9°180.0°
O27C24C25C26180.0°180.0°
C24O27C28H281124.6°66.2°
C24O27C28H2824.6°54.6°
C24O27C28H283115.4°174.2°
O27C24C25H250.1°0.0°
O27C24C23H230.2°0.0°
C24C25C26H25180.0°180.0°
C24C25C26H26179.8°179.9°
C25C24O27C28171.5°0.0°
C25C24C23H23179.7°180.0°
C23C24C25C260.1°0.0°
C23C24O27C288.6°180.0°
C23C24C25H25179.9°180.0°
H26C26C25H250.2°0.1°
O27C28H281H282120.0°120.5°
O27C28H281H283120.0°119.4°
O27C28H282H283120.0°119.4°
H281C28H282H283119.9°120.1°
HN11N11C9H9148.3°148.8°
C3C2C1H21120.0°121.5°
C3C2C1H22A119.8°121.3°
C3C2H21H22A119.8°118.8°
C3C2C1C12179.9°179.5°
H3C3C2C1179.5°180.0°
H3C3C2H2160.5°58.2°
H3C3C2H22A59.6°58.3°
C1C2H21H22A119.8°119.8°
C2C1C12O1439.7°120.0°
C2C1C12N13140.1°59.1°
H21C2C1C1260.1°59.0°
H22AC2C1C1260.1°58.1°
C1C12O14N13179.7°179.0°
C1C12N13H1310.1°179.8°
C1C12N13H132179.9°0.1°
O14C12N13H131179.9°0.7°
O14C12N13H1320.1°179.2°
C12N13H131H132180.0°179.9°
O18C16C19H191154.5°64.9°
O18C16C19H19285.5°53.3°
O18C16C19H19334.5°174.7°
C16C19H191H192120.0°120.7°
C16C19H191H193120.0°123.1°
C16C19H192H193120.0°123.6°
H191C19H192H193120.0°115.8°

222415

PDB entries from 2024-07-10

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