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ME4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.54Å1.55Å
C1N20sing1.47Å1.48Å
C1C6sing1.55Å1.55Å
C1H1sing1.10Å1.10Å
C2C3sing1.53Å1.53Å
C2H21sing1.10Å1.10Å
C2H22sing1.10Å1.10Å
C3C4sing1.53Å1.53Å
C3H31Asing1.10Å1.10Å
C3H32Asing1.10Å1.10Å
C8O9doub1.23Å1.24Å
C8N7sing1.39Å1.35Å
C8C10sing1.49Å1.48Å
C10C19sing1.38Å1.48ÅAromatic
C10C11doub1.38Å1.47ÅAromatic
C11C12sing1.40Å1.46ÅAromatic
C11H11sing1.09Å1.08Å
C12C13doub1.40Å1.49ÅAromatic
C12N16sing1.38Å1.37Å
C13C18sing1.41Å1.45ÅAromatic
C13C14sing1.42Å1.46Å
C14CL17sing1.70Å1.76Å
C14C15doub1.38Å1.40Å
C15N16sing1.37Å1.36Å
C15H15sing1.08Å1.08Å
C19C18doub1.40Å1.46ÅAromatic
C19H19sing1.09Å1.08Å
C21C23sing1.49Å1.47Å
C21N20sing1.39Å1.35Å
C21O22doub1.23Å1.23Å
C24C25doub1.39Å1.46ÅAromatic
C24C23sing1.38Å1.46ÅAromatic
C24H24sing1.09Å1.08Å
C27C26doub1.40Å1.48ÅAromatic
C27C28sing1.40Å1.45ÅAromatic
C27H27sing1.09Å1.08Å
N29C34sing1.42Å1.47Å
N29C30sing1.40Å1.39Å
N29C26sing1.45Å1.42Å
C30C31doub1.34Å1.44Å
C30H30sing1.08Å1.08Å
C31C32sing1.43Å1.44Å
C31H31sing1.08Å1.08Å
C32C33doub1.33Å1.43Å
C32H32sing1.08Å1.08Å
C33C34sing1.50Å1.50Å
C33H33sing1.08Å1.08Å
C34O35doub1.23Å1.23Å
C4C5sing1.53Å1.53Å
C4H41sing1.10Å1.10Å
C4H42sing1.10Å1.10Å
C5C6sing1.54Å1.55Å
C5H51sing1.10Å1.10Å
C5H52sing1.10Å1.10Å
C6N7sing1.47Å1.46Å
C6H6sing1.10Å1.10Å
N7HN7sing1.01Å1.00Å
N16HN16sing1.01Å1.00Å
C18H18sing1.09Å1.08Å
N20HN20sing1.02Å1.00Å
C23C28doub1.38Å1.46ÅAromatic
C25C26sing1.39Å1.49ÅAromatic
C25H25sing1.09Å1.08Å
C28H28sing1.09Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1N20106.1°109.6°
C2C1C6109.7°110.2°
C2C1H1113.3°109.3°
C1C2C3109.5°113.2°
C1C2H21109.4°110.2°
C1C2H22109.4°108.7°
N20C1C6114.3°113.1°
N20C1H1108.6°105.0°
C1N20C21120.7°122.5°
C1N20HN20119.6°117.2°
C6C1H1104.9°109.5°
C1C6C5110.4°112.5°
C1C6N7114.0°111.4°
C1C6H6105.2°108.5°
C3C2H21109.4°109.2°
C3C2H22109.4°108.6°
C2C3C4111.6°111.7°
C2C3H31A108.7°109.6°
C2C3H32A108.3°109.6°
H21C2H22109.6°106.7°
C4C3H31A108.8°109.4°
C4C3H32A108.3°109.6°
C3C4C5111.5°112.1°
C3C4H41108.8°109.3°
C3C4H42108.3°109.6°
H31AC3H32A111.2°106.8°
O9C8N7122.8°125.0°
O9C8C10123.9°119.2°
N7C8C10113.3°115.8°
C8N7C6124.0°122.4°
C8N7HN7118.0°120.5°
C8C10C19119.2°118.5°
C8C10C11119.3°118.2°
C19C10C11121.5°123.3°
C10C19C18119.2°119.6°
C10C19H19120.4°121.4°
C10C11C12119.1°116.4°
C10C11H11120.4°122.6°
C12C11H11120.5°120.9°
C11C12C13119.2°122.6°
C11C12N16132.9°130.2°
C13C12N16107.9°107.1°
C12C13C18121.3°118.8°
C12C13C14106.3°107.0°
C12N16C15108.2°110.2°
C12N16HN16125.9°124.9°
C18C13C14132.4°134.2°
C13C18C19119.7°119.2°
C13C18H18120.2°121.0°
C13C14CL17132.7°125.7°
C13C14C15103.7°107.7°
CL17C14C15123.6°126.5°
C14C15N16114.0°107.9°
C14C15H15123.0°131.6°
N16C15H15123.0°120.5°
C15N16HN16125.9°124.9°
C18C19H19120.4°119.0°
C19C18H18120.2°119.7°
C23C21N20118.0°115.9°
C23C21O22119.3°119.2°
C21C23C24121.0°118.9°
C21C23C28116.3°118.9°
N20C21O22122.6°124.8°
C21N20HN20119.6°120.3°
C25C24C23119.0°118.9°
C25C24H24120.5°119.3°
C24C25C26119.1°120.0°
C24C25H25120.5°119.3°
C23C24H24120.5°121.8°
C24C23C28122.7°122.3°
C26C27C28120.1°120.0°
C26C27H27120.0°120.7°
C27C26N29117.1°120.0°
C27C26C25120.5°120.0°
C28C27H27119.9°119.3°
C27C28C23118.6°118.8°
C27C28H28120.7°119.4°
C34N29C30123.1°119.6°
C34N29C26117.3°119.9°
N29C34C33119.7°116.4°
N29C34O35122.0°126.8°
C30N29C26118.9°120.5°
N29C30C31116.4°122.7°
N29C30H30121.8°116.1°
N29C26C25122.2°120.0°
C31C30H30121.8°121.1°
C30C31C32123.6°120.0°
C30C31H31118.2°121.1°
C32C31H31118.2°118.8°
C31C32C33120.7°120.6°
C31C32H32119.6°118.4°
C33C32H32119.7°121.0°
C32C33C34116.5°120.6°
C32C33H33121.8°121.5°
C34C33H33121.8°117.9°
C33C34O35118.2°116.8°
C5C4H41108.8°109.2°
C5C4H42108.3°109.6°
C4C5C6109.8°111.4°
C4C5H51109.4°109.5°
C4C5H52109.3°109.5°
H41C4H42111.1°106.8°
C6C5H51109.3°109.9°
C6C5H52109.3°110.0°
C5C6N7107.9°110.3°
C5C6H6111.6°108.5°
H51C5H52109.7°106.3°
N7C6H6107.7°105.3°
C6N7HN7118.0°117.0°
C23C28H28120.7°121.8°
C26C25H25120.4°120.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1N20C6121.1°123.4°
C2C1N20H1122.2°117.3°
C2C1C6H1122.0°120.2°
C1C2C3H21120.0°123.1°
C1C2C3H22120.0°120.8°
C1C2H21H22120.0°117.9°
C1C2C3C457.4°53.7°
C1C2C3H31A177.4°67.8°
C1C2C3H32A61.6°175.3°
C2C1N20C21148.1°87.3°
C2C1C6C559.0°53.4°
C2C1C6N7179.3°177.8°
C2C1C6H661.5°66.7°
C2C1N20HN2031.9°88.6°
N20C1C6H1118.9°116.7°
N20C1C2C365.6°72.1°
N20C1C2H21174.4°50.5°
N20C1C2H2254.4°167.1°
C1N20C21C23162.0°178.9°
C1N20C21HN20180.0°175.8°
C1N20C21O2217.7°0.0°
N20C1C6C560.0°69.7°
N20C1C6N761.6°54.7°
N20C1C6H6179.5°170.3°
C6C1C2C358.4°53.0°
C6C1C2H2161.6°175.6°
C6C1C2H22178.3°67.8°
C1C6N7C864.2°87.5°
C6C1N20C2190.8°149.3°
C1C6C5C457.4°54.5°
C1C6C5N7125.2°125.1°
C1C6C5H6116.6°120.0°
C1C6C5H51177.4°176.1°
C1C6C5H5262.5°67.1°
C1C6N7H6116.4°117.5°
C1C6N7HN7115.8°88.5°
C6C1N20HN2089.2°34.7°
H1C1C2C3175.3°173.3°
H1C1C2H2155.3°64.1°
H1C1C2H2264.8°52.5°
H1C1N20C2126.0°30.0°
H1C1C6C5178.9°173.6°
H1C1C6N757.3°62.0°
H1C1C6H660.6°53.5°
H1C1N20HN20154.0°154.1°
C3C2H21H22120.0°117.3°
C2C3C4H31A120.0°121.5°
C2C3C4H32A119.1°121.6°
C2C3H31AH32A119.1°118.6°
C2C3C4C556.9°53.6°
C2C3C4H4163.1°67.7°
C2C3C4H42176.1°175.5°
H21C2C3C462.5°176.8°
H21C2C3H31A57.5°55.3°
H21C2C3H32A178.4°61.6°
H22C2C3C4177.4°67.2°
H22C2C3H31A62.6°171.4°
H22C2C3H32A58.3°54.5°
C4C3H31AH32A119.1°118.6°
C3C4C5H41120.0°121.3°
C3C4C5H42119.1°122.0°
C3C4H41H42119.1°118.5°
C3C4C5C656.0°54.2°
C3C4C5H51176.0°176.0°
C3C4C5H5263.8°67.8°
H31AC3C4C5176.9°67.9°
H31AC3C4H4156.9°170.8°
H31AC3C4H4264.0°54.0°
H32AC3C4C562.1°175.2°
H32AC3C4H41177.9°54.0°
H32AC3C4H4257.0°62.8°
O9C8N7C10179.2°178.8°
O9C8C10C1934.9°25.9°
O9C8C10C11146.9°154.1°
O9C8N7C64.2°0.0°
O9C8N7HN7175.8°175.8°
N7C8C10C19144.4°153.0°
N7C8C10C1133.9°27.0°
C8N7C6C5172.8°146.9°
C8N7C6HN7180.0°176.0°
C8N7C6H652.2°30.0°
C8C10C19C11178.2°180.0°
C8C10C11C12178.2°180.0°
C8C10C11H111.8°0.0°
C8C10C19C18178.1°180.0°
C8C10C19H191.9°0.1°
C10C8N7C6175.0°178.8°
C10C8N7HN75.0°3.0°
C19C10C11C120.0°0.0°
C19C10C11H11180.0°180.0°
C10C19C18C130.1°0.0°
C10C19C18H19180.0°179.9°
C10C19C18H18179.9°179.9°
C10C11C12H11180.0°180.0°
C10C11C12C130.1°0.1°
C10C11C12N16179.7°180.0°
C11C10C19C180.1°0.1°
C11C10C19H19179.9°180.0°
C11C12C13N16179.8°180.0°
C11C12C13C180.0°0.1°
C11C12C13C14179.9°180.0°
C11C12N16C15179.9°180.0°
C11C12N16HN160.1°0.0°
H11C11C12C13179.9°180.0°
H11C11C12N160.3°0.0°
C12C13C18C14179.9°179.9°
C12C13C14CL17177.3°180.0°
C12C13C14C150.1°0.0°
C13C12N16C150.3°0.0°
C12C13C18C190.1°0.0°
C13C12N16HN16179.7°180.0°
C12C13C18H18179.9°180.0°
N16C12C13C18179.8°180.0°
N16C12C13C140.3°0.0°
C12N16C15C140.2°0.0°
C12N16C15HN16180.0°180.0°
C12N16C15H15179.8°179.9°
C18C13C14CL172.7°0.0°
C18C13C14C15179.9°179.9°
C13C18C19H18180.0°180.0°
C13C18C19H19179.9°180.0°
C13C14CL17C15177.0°180.0°
C13C14C15N160.1°0.0°
C13C14C15H15179.9°179.9°
C14C13C18C19180.0°180.0°
C14C13C18H180.0°0.1°
CL17C14C15N16177.8°180.0°
CL17C14C15H152.2°0.1°
C14C15N16H15180.0°179.9°
C14C15N16HN16179.7°180.0°
H15C15N16HN160.3°0.0°
H19C19C18H180.1°0.0°
C23C21N20O22179.7°178.9°
C21C23C24C25176.5°179.9°
C21C23C24C28176.2°179.8°
C21C23C24H243.5°0.1°
C21C23C28C27176.7°179.9°
C23C21N20HN2018.0°3.0°
C21C23C28H283.4°0.1°
N20C21C23C2464.7°152.9°
N20C21C23C28118.9°26.9°
O22C21C23C24115.7°26.1°
O22C21N20HN20162.3°175.9°
O22C21C23C2860.7°154.1°
C25C24C23H24180.0°180.0°
C24C25C26C270.7°0.0°
C24C25C26N29174.6°180.0°
C25C24C23C280.3°0.1°
C24C25C26H25180.0°180.0°
C24C23C28C270.3°0.1°
C23C24C25C260.2°0.0°
C23C24C25H25179.8°179.9°
C24C23C28H28179.7°179.9°
H24C24C23C28179.7°179.9°
H24C24C25C26179.8°180.0°
H24C24C25H250.2°0.1°
C26C27C28H27180.0°180.0°
C27C26N29C3463.4°31.0°
C27C26N29C30106.9°150.0°
C27C26N29C25175.4°180.0°
C26C27C28C230.2°0.0°
C27C26C25H25179.3°180.0°
C26C27C28H28179.8°180.0°
C28C27C26N29174.9°180.0°
C27C28C23H28180.0°180.0°
C28C27C26C250.7°0.0°
H27C27C26N295.1°0.0°
H27C27C28C23179.8°180.0°
H27C27C26C25179.4°180.0°
H27C27C28H280.2°0.0°
C34N29C30C26169.7°178.9°
C34N29C30C310.7°1.6°
C34N29C30H30179.3°178.7°
N29C34C33C323.4°2.8°
N29C34C33O35177.8°177.8°
N29C34C33H33176.5°178.3°
C34N29C26C25112.1°148.9°
N29C30C31H30180.0°179.7°
N29C30C31C322.3°0.4°
N29C30C31H31177.7°179.9°
C30N29C34C332.2°3.0°
C30N29C34O35175.5°174.5°
C30N29C26C2577.7°30.0°
C26N29C30C31169.0°179.5°
C26N29C30H3011.0°0.2°
C26N29C34C33172.0°178.0°
C26N29C34O355.7°4.5°
N29C26C25H255.4°0.1°
C30C31C32H31180.0°179.5°
C30C31C32C330.9°0.7°
C30C31C32H32179.0°178.9°
H30C30C31C32177.7°179.3°
H30C30C31H312.3°0.2°
C31C32C33H32180.0°179.6°
C31C32C33C341.9°1.0°
C31C32C33H33178.0°179.8°
H31C31C32C33179.1°179.8°
H31C31C32H320.9°0.6°
C32C33C34H33180.0°178.9°
C32C33C34O35174.3°175.0°
H32C32C33C34178.1°179.4°
H32C32C33H332.0°0.6°
H33C33C34O355.7°3.9°
C5C4H41H42119.2°118.5°
C4C5C6H51120.0°121.6°
C4C5C6H52119.9°121.6°
C4C5H51H52119.8°118.2°
C4C5C6N7177.4°179.6°
C4C5C6H659.2°65.5°
H41C4C5C664.0°67.1°
H41C4C5H5156.0°54.7°
H41C4C5H52176.2°170.9°
H42C4C5C6175.1°176.1°
H42C4C5H5164.9°62.0°
H42C4C5H5255.3°54.2°
C6C5H51H52119.9°119.1°
C5C6N7H6120.6°116.9°
C5C6N7HN77.2°37.1°
H51C5C6N757.4°58.9°
H51C5C6H660.8°56.0°
H52C5C6N762.7°57.9°
H52C5C6H6179.1°172.8°
H6C6N7HN7127.8°154.0°

222624

PDB entries from 2024-07-17

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