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ZMY

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F5C22sing1.35Å1.35Å
C22C21doub1.38Å1.37ÅAromatic
C22C15sing1.39Å1.38ÅAromatic
C21C20sing1.38Å1.38ÅAromatic
C14C15sing1.51Å1.51Å
C14N3sing1.46Å1.46Å
C15C16doub1.38Å1.40ÅAromatic
C20C19doub1.39Å1.38ÅAromatic
N3C13sing1.37Å1.35Å
C16C19sing1.39Å1.38ÅAromatic
C16C17sing1.52Å1.50Å
C19O1sing1.36Å1.38Å
C25N5doub1.30Å1.31ÅAromatic
C25N4sing1.35Å1.37ÅAromatic
C13N4sing1.37Å1.36ÅAromatic
C13N2doub1.32Å1.31ÅAromatic
N5C24sing1.36Å1.39ÅAromatic
N4C23sing1.39Å1.40ÅAromatic
O1C18sing1.44Å1.46Å
C17C18sing1.55Å1.51Å
N2C12sing1.33Å1.36ÅAromatic
C24C23doub1.38Å1.38ÅAromatic
C24Csing1.47Å1.50Å
C23C11sing1.42Å1.43ÅAromatic
OCdoub1.22Å1.23Å
C12C11doub1.38Å1.37ÅAromatic
CNsing1.36Å1.44Å
C11C10sing1.48Å1.44Å
FC2sing1.40Å1.37Å
NC4sing1.47Å1.48Å
NC1sing1.47Å1.46Å
C10C9doub1.39Å1.40ÅAromatic
C10C5sing1.40Å1.41ÅAromatic
C4C5sing1.50Å1.51Å
C2C1sing1.53Å1.52Å
C2F1sing1.40Å1.36Å
C2C3sing1.53Å1.55Å
C9N1sing1.32Å1.34ÅAromatic
C5C6doub1.38Å1.39ÅAromatic
N1C7doub1.32Å1.34ÅAromatic
C6C7sing1.38Å1.40ÅAromatic
C7C8sing1.51Å1.51Å
C8F4sing1.40Å1.34Å
C8F3sing1.40Å1.34Å
C8F2sing1.40Å1.34Å
C1H1sing1.09Å1.10Å
C1Hsing1.09Å1.10Å
C14H12sing1.09Å1.10Å
C14H11sing1.09Å1.10Å
C12H9sing1.08Å1.08Å
C9H8sing1.08Å1.08Å
C6H7sing1.08Å1.08Å
C4H5sing1.09Å1.10Å
C4H6sing1.09Å1.10Å
C3H4sing1.09Å1.10Å
C3H3sing1.09Å1.10Å
C3H2sing1.09Å1.10Å
C17H13sing1.09Å1.10Å
C17H14sing1.09Å1.10Å
C18H15sing1.09Å1.10Å
C18H16sing1.09Å1.10Å
C21H18sing1.08Å1.08Å
C20H17sing1.08Å1.08Å
N3H10sing0.97Å1.00Å
C25H19sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F5C22C21118.1°120.2°
F5C22C15117.8°120.1°
C21C22C15124.0°119.7°
C22C21C20119.0°120.3°
C22C21H18120.5°119.8°
C22C15C14123.7°120.1°
C22C15C16116.6°119.9°
C21C20C19118.3°120.3°
C20C21H18120.5°119.9°
C21C20H17120.8°119.8°
C15C14N3112.5°109.5°
C14C15C16119.6°120.0°
C15C14H12108.7°109.5°
C15C14H11108.7°109.5°
C14N3C13122.9°120.0°
N3C14H12108.7°109.5°
N3C14H11108.7°109.4°
C14N3H10106.0°120.0°
C15C16C19119.4°120.8°
C15C16C17130.0°132.2°
C20C19C16122.6°119.0°
C20C19O1126.5°129.8°
C19C20H17120.8°119.9°
N3C13N4117.8°120.6°
N3C13N2118.8°120.5°
C13N3H10106.0°120.0°
C19C16C17110.6°107.0°
C16C19O1110.9°111.2°
C16C17C18101.7°102.0°
C16C17H13111.4°111.0°
C16C17H14111.4°111.0°
C19O1C18108.6°109.2°
N5C25N4111.7°109.5°
C25N5C24104.9°109.7°
N5C25H19124.1°125.3°
C25N4C13131.2°131.2°
C25N4C23108.4°107.5°
N4C25H19124.1°125.3°
N4C13N2123.3°118.9°
C13N4C23120.4°121.2°
C13N2C12117.0°123.0°
N5C24C23112.0°107.5°
N5C24C112.7°124.1°
N4C23C24102.9°105.7°
N4C23C11117.9°118.1°
O1C18C17108.1°102.7°
O1C18H15109.8°110.7°
O1C18H16109.8°110.8°
C18C17H13111.4°110.9°
C18C17H14111.4°110.9°
C17C18H15109.8°110.7°
C17C18H16109.8°110.8°
N2C12C11126.0°121.3°
N2C12H9117.0°119.3°
C23C24C135.3°128.4°
C24C23C11139.2°136.1°
C24CO118.8°120.3°
C24CN121.6°119.4°
C23C11C12115.4°117.4°
C23C11C10123.2°121.8°
OCN119.7°120.3°
C12C11C10121.1°120.8°
C11C12H9117.0°119.4°
CNC4123.5°117.8°
CNC1120.1°121.1°
C11C10C9116.9°121.5°
C11C10C5125.5°119.0°
FC2C1111.8°109.5°
FC2F1102.2°109.5°
FC2C3109.1°109.5°
C4NC1116.4°121.1°
NC4C5112.4°106.0°
NC4H5108.7°110.1°
NC4H6108.7°110.2°
NC1C2113.9°109.4°
NC1H1108.4°109.5°
NC1H108.4°109.5°
C9C10C5117.3°119.5°
C10C9N1124.4°120.0°
C10C9H8117.8°119.9°
C10C5C4121.8°121.5°
C10C5C6119.1°118.1°
C4C5C6119.0°120.1°
C5C4H5108.8°110.2°
C5C4H6108.7°110.2°
C1C2F1111.2°109.5°
C1C2C3109.9°109.4°
C2C1H1108.4°109.4°
C2C1H108.4°109.5°
F1C2C3112.5°109.5°
C2C3H4109.5°109.5°
C2C3H3109.4°109.4°
C2C3H2109.5°109.5°
C9N1C7116.8°121.9°
N1C9H8117.8°120.0°
C5C6C7118.1°118.9°
C5C6H7121.0°120.5°
N1C7C6124.2°121.3°
N1C7C8114.7°119.3°
C6C7C8121.0°119.3°
C7C6H7121.0°120.5°
C7C8F4112.5°109.5°
C7C8F3112.8°109.4°
C7C8F2112.5°109.5°
F4C8F3105.2°109.5°
F4C8F2107.2°109.5°
F3C8F2105.9°109.4°
H1C1H109.4°109.5°
H12C14H11109.5°109.4°
H5C4H6109.5°110.0°
H4C3H3109.4°109.4°
H4C3H2109.5°109.5°
H3C3H2109.5°109.4°
H13C17H14109.4°110.8°
H15C18H16109.5°110.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F5C22C21C15176.0°179.8°
F5C22C21C20174.8°179.8°
F5C22C15C148.6°0.0°
F5C22C15C16173.7°180.0°
F5C22C21H185.2°0.3°
C22C21C20H18180.0°179.9°
C21C22C15C14175.4°179.8°
C21C22C15C162.3°0.2°
C22C21C20C190.7°0.0°
C22C21C20H17179.3°180.0°
C15C22C21C201.2°0.0°
C22C15C14C16177.6°180.0°
C22C15C14N368.5°90.0°
C22C15C16C191.6°0.4°
C22C15C16C17177.7°179.0°
C22C15C14H12171.0°30.0°
C22C15C14H1151.9°150.0°
C15C22C21H18178.8°179.9°
C21C20C19H17180.0°180.0°
C21C20C19C161.3°0.2°
C21C20C19O1178.7°179.5°
C15C14N3H12120.5°120.0°
C15C14N3H11120.5°120.0°
C15C14N3C1380.3°180.0°
C14C15C16C19176.2°179.6°
C14C15C16C174.5°1.0°
C15C14H12H11118.6°120.0°
C15C14N3H10157.9°0.1°
N3C14C15C16113.9°90.0°
C14N3C13H10121.8°179.9°
C14N3C13N4177.4°180.0°
C14N3C13N24.1°0.3°
N3C14H12H11118.6°120.0°
C15C16C19C200.2°0.4°
C15C16C19C17179.4°179.5°
C15C16C19O1179.8°179.3°
C15C16C17C18177.7°164.1°
C16C15C14H126.6°150.0°
C16C15C14H11125.7°30.0°
C15C16C17H1358.9°77.7°
C15C16C17H1463.6°45.9°
C20C19C16O1180.0°179.7°
C20C19C16C17179.6°179.1°
C20C19O1C18177.5°161.2°
C19C20C21H18179.4°179.9°
N3C13N4C250.8°2.2°
N3C13N4N2178.4°179.7°
N3C13N4C23179.1°179.2°
N3C13N2C12178.1°178.1°
C13N3C14H1240.2°60.0°
C13N3C14H11159.3°60.0°
C16C19O1C182.5°19.1°
C19C16C17C183.0°15.4°
C19C16C17H13121.7°102.8°
C19C16C17H14115.8°133.6°
C16C19C20H17178.6°179.8°
C17C16C19O10.4°1.1°
C16C17C18O14.3°25.3°
C16C17C18H13118.8°118.2°
C16C17C18H14118.7°118.2°
C16C17H13H14123.6°123.7°
C16C17C18H15124.1°93.0°
C16C17C18H16115.4°143.6°
C19O1C18C174.4°27.8°
C19O1C18H15124.2°90.5°
C19O1C18H16115.4°146.1°
O1C19C20H171.3°0.5°
N5C25N4H19180.0°179.9°
N5C25N4C13179.4°176.2°
N5C25N4C230.7°2.5°
C25N5C24C231.3°0.9°
C25N5C24C177.3°178.7°
C25N4C13C23179.9°178.6°
C25N4C13N2179.2°177.6°
N4C25N5C240.3°1.0°
C25N4C23C241.4°3.0°
C25N4C23C11177.5°179.3°
N4C13N2C120.3°2.2°
C13N4C23C24178.7°175.9°
C13N4C23C112.4°1.8°
N4C13N3H1055.6°0.0°
C13N4C25H190.6°3.7°
N2C13N4C230.7°1.0°
C13N2C12C110.5°0.3°
C13N2C12H9179.5°179.7°
N2C13N3H10125.9°179.8°
N5C24C23N41.7°2.4°
N5C24C23C178.1°179.6°
N5C24C23C11176.9°179.5°
N5C24CO30.4°61.9°
N5C24CN148.6°118.0°
C24N5C25H19179.6°179.1°
N4C23C24C11178.5°177.2°
N4C23C24C176.5°177.3°
N4C23C11C123.0°3.6°
N4C23C11C10170.1°174.8°
C23N4C25H19179.3°177.6°
O1C18C17H15119.8°118.3°
O1C18C17H16119.8°118.3°
O1C18C17H13123.1°92.9°
O1C18C17H14114.4°143.5°
O1C18H15H16120.7°123.3°
C18C17H13H14123.6°123.7°
C17C18H15H16120.6°123.4°
N2C12C11C232.2°2.6°
N2C12C11H9180.0°180.0°
N2C12C11C10171.0°175.7°
C23C24CO151.4°118.5°
C24C23C11C12178.7°173.3°
C23C24CN29.5°61.6°
C24C23C11C108.3°8.3°
CC24C23C115.0°0.1°
C24CON179.1°179.9°
C24CNC41.7°32.9°
C24CNC1175.9°147.1°
C23C11C12C10173.2°178.4°
C23C11C10C9130.4°122.4°
C23C11C10C556.1°58.4°
C23C11C12H9177.8°177.4°
OCNC4177.3°147.1°
OCNC15.1°32.8°
C12C11C10C942.3°55.9°
C12C11C10C5131.2°123.3°
CNC4C1177.7°179.9°
CNC4C584.2°70.8°
CNC1C296.7°87.9°
CNC1H123.9°152.2°
CNC1H142.6°32.2°
CNC4H536.2°170.0°
CNC4H6155.4°48.4°
C11C10C9C5174.1°179.1°
C11C10C5C415.9°11.5°
C11C10C9N1169.3°176.0°
C11C10C5C6168.5°174.2°
C10C11C12H98.9°4.2°
C11C10C9H810.7°4.0°
FC2C1N55.1°55.9°
FC2C1F1113.5°120.1°
FC2C1C3121.3°120.0°
FC2F1C3116.8°120.1°
FC2C1H165.6°64.1°
FC2C1H175.7°175.9°
FC2C3H4180.0°59.9°
FC2C3H360.0°60.0°
FC2C3H260.0°180.0°
NC4C5C1082.4°92.7°
NC4C5H5120.4°119.1°
NC4C5H6120.4°119.3°
C4NC1C285.5°92.2°
NC4C5C693.3°81.6°
C4NC1H1153.8°27.7°
C4NC1H35.2°147.8°
NC4H5H6118.7°121.7°
C1NC4C593.5°109.1°
NC1C2H1120.7°119.9°
NC1C2H120.7°120.0°
NC1C2F158.4°64.2°
NC1C2C3176.4°175.9°
NC1H1H118.0°120.0°
C1NC4H5146.1°10.1°
C1NC4H626.9°131.7°
C9C10C5C4170.6°169.4°
C10C9N1H8180.0°180.0°
C9C10C5C65.1°5.0°
C10C9N1C70.6°0.5°
C10C5C4C6175.7°174.2°
C5C10C9N14.8°3.1°
C10C5C6C71.6°3.4°
C5C10C9H8175.2°176.9°
C10C5C6H7178.4°176.6°
C10C5C4H538.0°148.2°
C10C5C4H6157.2°26.6°
C4C5C6C7174.2°171.0°
C4C5C6H75.9°9.0°
C5C4H5H6118.7°121.7°
C1C2F1C3123.7°119.9°
C2C1H1H118.0°120.1°
C1C2C3H457.1°60.1°
C1C2C3H3177.1°180.0°
C1C2C3H262.9°60.0°
F1C2C1H1179.1°175.9°
F1C2C1H62.3°55.8°
F1C2C3H467.4°180.0°
F1C2C3H352.6°60.1°
F1C2C3H2172.6°59.9°
C3C2C1H155.7°56.0°
C3C2C1H62.9°64.1°
C2C3H4H3120.0°119.9°
C2C3H4H2120.0°120.1°
C2C3H3H2120.0°120.0°
C9N1C7C63.4°2.1°
C9N1C7C8171.9°178.0°
C5C6C7N12.8°0.0°
C5C6C7H7180.0°180.0°
C5C6C7C8172.1°180.0°
C6C5C4H5146.3°37.6°
C6C5C4H627.1°159.2°
N1C7C6C8174.9°180.0°
N1C7C8F430.5°90.0°
N1C7C8F388.4°30.0°
N1C7C8F2151.8°150.0°
C7N1C9H8179.4°179.6°
N1C7C6H7177.2°180.0°
C6C7C8F4154.1°90.0°
C6C7C8F387.0°150.0°
C6C7C8F232.8°30.0°
C7C8F4F3123.3°120.0°
C7C8F4F2124.3°120.0°
C7C8F3F2123.5°120.0°
C8C7C6H77.9°0.0°
F4C8F3F2113.4°120.0°
H12C14N3H1081.6°120.0°
H11C14N3H1037.4°120.1°
H4C3H3H2120.0°120.0°
H13C17C18H15117.1°148.8°
H13C17C18H163.3°25.4°
H14C17C18H155.4°25.2°
H14C17C18H16125.8°98.2°
H18C21C20H170.7°0.1°

222415

PDB entries from 2024-07-10

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