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EF3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.41Å1.40ÅAromatic
C1N5sing1.35Å1.38ÅAromatic
C1C14sing1.41Å1.40ÅAromatic
C2N3sing1.38Å1.37ÅAromatic
C2C13sing1.39Å1.40ÅAromatic
N3C4sing1.36Å1.36ÅAromatic
N3C16sing1.47Å1.44Å
C4N5doub1.30Å1.31ÅAromatic
C6C7doub1.39Å1.40ÅAromatic
C6C11sing1.38Å1.41ÅAromatic
C6C22sing1.51Å1.51Å
C7C8sing1.39Å1.40ÅAromatic
C7O17sing1.36Å1.37Å
C8C9doub1.38Å1.40ÅAromatic
C9C10sing1.39Å1.40ÅAromatic
C10C11doub1.39Å1.41ÅAromatic
C10C12sing1.48Å1.48ÅAromatic
C12C13doub1.39Å1.40ÅAromatic
C12N15sing1.33Å1.36ÅAromatic
C14N15doub1.33Å1.37ÅAromatic
C14C26sing1.47Å1.47Å
O17C18sing1.43Å1.43Å
C18C19sing1.53Å1.53Å
C19C20sing1.53Å1.53Å
C20N21sing1.47Å1.47Å
N21C31sing1.47Å1.48Å
N21C32sing1.47Å1.48Å
C22F23sing1.40Å1.36Å
C22F24sing1.40Å1.36Å
C22F25sing1.40Å1.37Å
C26N27doub1.29Å1.29Å
C28N29sing1.47Å1.47Å
C28C32sing1.53Å1.55Å
N29C30sing1.47Å1.47Å
N29C33sing1.47Å1.46Å
C30C31sing1.53Å1.55Å
C4H4sing1.08Å1.08Å
C8H8sing1.08Å1.08Å
C9H9sing1.08Å1.08Å
C11H11sing1.08Å1.08Å
C13H13sing1.08Å1.08Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
C16H16Bsing1.09Å1.10Å
C18H18sing1.09Å1.10Å
C18H18Asing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C19H19Asing1.09Å1.10Å
C20H20sing1.09Å1.10Å
C20H20Asing1.09Å1.10Å
C26H26sing1.08Å1.08Å
N27HN27sing0.97Å1.00Å
C28H28sing1.09Å1.10Å
C28H28Asing1.09Å1.10Å
C30H30sing1.09Å1.10Å
C30H30Asing1.09Å1.10Å
C31H31sing1.09Å1.10Å
C31H31Asing1.09Å1.10Å
C32H32sing1.09Å1.10Å
C32H32Asing1.09Å1.10Å
C33H33sing1.09Å1.10Å
C33H33Asing1.09Å1.10Å
C33H33Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1N5109.6°107.0°
C2C1C14117.6°118.7°
C1C2N3104.6°106.0°
C1C2C13122.6°118.8°
N5C1C14132.8°134.3°
C1N5C4106.2°109.8°
C1C14N15120.7°120.2°
C1C14C26124.9°119.9°
N3C2C13132.7°135.2°
C2N3C4108.2°107.1°
C2N3C16126.3°126.4°
C2C13C12116.2°119.0°
C2C13H13121.9°120.5°
C4N3C16125.5°126.4°
N3C4N5111.4°110.1°
N3C4H4124.3°125.0°
N3C16H16109.5°109.4°
N3C16H16A109.5°109.5°
N3C16H16B109.5°109.5°
N5C4H4124.3°125.0°
C7C6C11119.3°120.1°
C7C6C22120.6°120.0°
C6C7C8119.3°120.1°
C6C7O17116.0°119.9°
C11C6C22120.1°119.9°
C6C11C10122.2°119.9°
C6C11H11118.9°120.0°
C6C22F23113.3°109.5°
C6C22F24113.2°109.5°
C6C22F25113.1°109.5°
C8C7O17124.7°120.0°
C7C8C9120.6°120.1°
C7C8H8119.7°119.9°
C7O17C18118.0°117.0°
C8C9C10121.5°119.9°
C9C8H8119.7°120.0°
C8C9H9119.2°120.1°
C9C10C11117.1°119.8°
C9C10C12122.2°120.1°
C10C9H9119.3°120.0°
C11C10C12120.8°120.1°
C10C11H11118.9°120.0°
C10C12C13122.3°119.4°
C10C12N15115.0°119.4°
C13C12N15122.7°121.1°
C12C13H13121.9°120.5°
C12N15C14120.3°122.2°
N15C14C26114.4°119.9°
C14C26N27125.8°120.0°
C14C26H26117.1°120.0°
O17C18C19108.1°109.5°
O17C18H18110.0°109.5°
O17C18H18A109.9°109.5°
C18C19C20110.9°109.5°
C19C18H18109.9°109.5°
C19C18H18A109.9°109.5°
C18C19H19109.0°109.5°
C18C19H19A109.0°109.5°
C19C20N21113.3°109.5°
C20C19H19109.0°109.4°
C20C19H19A109.0°109.4°
C19C20H20108.2°109.4°
C19C20H20A108.2°109.4°
C20N21C31110.1°111.0°
C20N21C32112.4°111.0°
N21C20H20108.2°109.5°
N21C20H20A108.2°109.5°
C31N21C32108.8°110.9°
N21C31C30112.7°109.3°
N21C31H31108.4°109.5°
N21C31H31A108.4°109.5°
N21C32C28112.7°109.4°
N21C32H32108.4°109.5°
N21C32H32A108.4°109.5°
F23C22F24106.3°109.5°
F23C22F25105.1°109.5°
F24C22F25105.1°109.4°
N27C26H26117.1°120.0°
C26N27HN27112.0°120.0°
N29C28C32112.3°109.3°
C28N29C30109.0°110.9°
C28N29C33110.7°111.0°
N29C28H28108.6°109.5°
N29C28H28A108.6°109.5°
C32C28H28108.5°109.5°
C32C28H28A108.5°109.5°
C28C32H32108.4°109.5°
C28C32H32A108.4°109.5°
C30N29C33110.7°111.0°
N29C30C31111.9°109.4°
N29C30H30108.7°109.5°
N29C30H30A108.7°109.5°
N29C33H33109.5°109.4°
N29C33H33A109.4°109.5°
N29C33H33B109.5°109.4°
C31C30H30108.6°109.5°
C31C30H30A108.7°109.5°
C30C31H31108.4°109.5°
C30C31H31A108.4°109.5°
H16C16H16A109.4°109.5°
H16C16H16B109.5°109.5°
H16AC16H16B109.5°109.5°
H18C18H18A109.0°109.4°
H19C19H19A109.9°109.5°
H20C20H20A110.7°109.5°
H28C28H28A110.4°109.5°
H30C30H30A110.3°109.4°
H31C31H31A110.6°109.5°
H32C32H32A110.5°109.5°
H33C33H33A109.5°109.5°
H33C33H33B109.5°109.5°
H33AC33H33B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1N5C14179.9°179.7°
C1C2N3C13180.0°180.0°
C1C2N3C40.0°0.0°
C1C2N3C16180.0°180.0°
C2C1N5C40.0°0.0°
C1C2C13C120.0°0.0°
C2C1C14N150.1°0.0°
C2C1C14C26180.0°180.0°
C1C2C13H13180.0°180.0°
N5C1C2N30.0°0.0°
N5C1C2C13180.0°180.0°
C1N5C4N30.0°0.0°
N5C1C14N15180.0°179.7°
N5C1C14C260.1°0.3°
C1N5C4H4180.0°180.0°
C14C1C2N3180.0°179.8°
C14C1C2C130.0°0.2°
C14C1N5C4179.9°179.7°
C1C14N15C120.1°0.5°
C1C14N15C26179.9°180.0°
C1C14C26N2711.5°180.0°
C1C14C26H26168.5°0.0°
C2N3C4C16180.0°180.0°
C2N3C4N50.0°0.0°
N3C2C13C12180.0°180.0°
C2N3C4H4180.0°180.0°
N3C2C13H130.0°0.0°
C2N3C16H16180.0°90.0°
C2N3C16H16A60.0°150.0°
C2N3C16H16B60.0°30.0°
C13C2N3C4180.0°180.0°
C13C2N3C160.0°0.1°
C2C13C12C10180.0°180.0°
C2C13C12H13180.0°179.9°
C2C13C12N150.0°0.5°
N3C4N5H4180.0°180.0°
C4N3C16H160.0°90.1°
C4N3C16H16A119.9°30.0°
C4N3C16H16B120.0°150.0°
C16N3C4N5180.0°180.0°
C16N3C4H40.0°0.0°
N3C16H16H16A120.0°120.0°
N3C16H16H16B120.0°120.0°
N3C16H16AH16B120.0°120.0°
C7C6C11C22179.9°179.7°
C6C7C8O17180.0°179.9°
C6C7C8C90.0°0.1°
C7C6C11C100.0°0.0°
C6C7O17C18162.7°180.0°
C7C6C22F2363.6°180.0°
C7C6C22F2457.5°60.0°
C7C6C22F25176.9°60.0°
C6C7C8H8180.0°180.0°
C7C6C11H11180.0°179.9°
C11C6C7C80.0°0.1°
C11C6C7O17180.0°180.0°
C6C11C10C90.0°0.0°
C6C11C10H11180.0°179.9°
C6C11C10C12180.0°180.0°
C11C6C22F23116.4°0.3°
C11C6C22F24122.4°119.8°
C11C6C22F253.0°120.3°
C22C6C7C8180.0°179.8°
C22C6C7O170.0°0.3°
C22C6C11C10180.0°179.7°
C6C22F23F24125.0°120.0°
C6C22F23F25123.9°120.0°
C6C22F24F25123.9°120.0°
C22C6C11H110.0°0.2°
C7C8C9H8180.0°179.9°
C7C8C9C100.1°0.0°
C8C7O17C1817.3°0.1°
C7C8C9H9180.0°179.9°
O17C7C8C9180.0°180.0°
C7O17C18C19155.9°180.0°
O17C7C8H80.0°0.1°
C7O17C18H1835.8°59.9°
C7O17C18H18A84.2°60.0°
C8C9C10H9180.0°180.0°
C8C9C10C110.1°0.0°
C8C9C10C12180.0°180.0°
C9C10C11C12179.9°179.9°
C9C10C12C132.3°5.0°
C9C10C12N15177.7°175.5°
C10C9C8H8179.9°180.0°
C9C10C11H11180.0°180.0°
C11C10C12C13177.6°175.0°
C11C10C12N152.4°4.5°
C11C10C9H9179.9°180.0°
C10C12C13N15180.0°179.5°
C10C12N15C14180.0°179.8°
C12C10C9H90.0°0.1°
C12C10C11H110.1°0.1°
C10C12C13H130.0°0.1°
C13C12N15C140.0°0.7°
C12N15C14C26180.0°179.5°
N15C12C13H13180.0°179.5°
N15C14C26N27168.5°0.1°
N15C14C26H2611.5°180.0°
C14C26N27H26180.0°179.9°
C14C26N27HN27180.0°180.0°
O17C18C19H18120.0°120.0°
O17C18C19H18A120.0°120.0°
O17C18C19C2067.8°180.0°
O17C18H18H18A120.6°119.9°
O17C18C19H1952.2°60.0°
O17C18C19H19A172.2°60.0°
C18C19C20H19120.0°120.0°
C18C19C20H19A120.0°120.0°
C18C19C20N2172.1°180.0°
C19C18H18H18A120.6°120.0°
C18C19H19H19A119.4°120.1°
C18C19C20H2047.9°60.0°
C18C19C20H20A167.9°60.0°
C19C20N21H20120.0°120.0°
C19C20N21H20A120.0°120.0°
C19C20N21C3174.6°170.0°
C19C20N21C32163.9°66.2°
C20C19C18H18172.2°60.0°
C20C19C18H18A52.2°60.0°
C20C19H19H19A119.4°119.9°
C19C20H20H20A118.5°119.9°
C20N21C31C32123.6°123.8°
C20N21C32C28175.9°176.8°
C20N21C31C30177.9°176.8°
N21C20C19H19167.9°60.0°
N21C20C19H19A47.9°60.0°
N21C20H20H20A118.4°120.1°
C20N21C31H3157.9°63.2°
C20N21C31H31A62.2°56.9°
C20N21C32H3264.1°56.9°
C20N21C32H32A55.9°63.2°
C31N21C32C2853.8°59.3°
N21C31C30N2957.1°58.4°
N21C31C30H31120.0°120.0°
N21C31C30H31A120.0°119.9°
C31N21C20H20165.3°70.0°
C31N21C20H20A45.4°50.1°
N21C31C30H3062.9°61.6°
N21C31C30H30A177.2°178.4°
N21C31H31H31A118.7°120.1°
C31N21C32H32173.8°179.3°
C31N21C32H32A66.2°60.7°
N21C32C28N2956.2°58.4°
N21C32C28H32120.0°120.0°
N21C32C28H32A120.0°120.0°
C32N21C31C3054.3°59.3°
C32N21C20H2043.9°53.8°
C32N21C20H20A76.1°173.8°
N21C32C28H28176.3°178.3°
N21C32C28H28A63.8°61.6°
C32N21C31H3165.7°60.6°
C32N21C31H31A174.3°179.3°
N21C32H32H32A118.7°120.0°
F23C22F24F25111.1°120.0°
N29C28C32H28120.0°119.9°
N29C28C32H28A120.0°120.0°
C28N29C30C33122.1°123.8°
C28N29C30C3155.6°59.3°
N29C28H28H28A118.9°120.1°
C28N29C30H3064.3°60.7°
C28N29C30H30A175.6°179.4°
N29C28C32H32176.3°178.4°
N29C28C32H32A63.7°61.6°
C28N29C33H33180.0°60.0°
C28N29C33H33A60.0°180.0°
C28N29C33H33B60.0°59.9°
C32C28N29C3055.3°59.3°
C32C28N29C33177.4°176.8°
C32C28H28H28A118.8°120.1°
C28C32H32H32A118.7°120.1°
N29C30C31H30120.0°120.0°
N29C30C31H30A120.0°120.0°
C30N29C28H28175.3°179.3°
C30N29C28H28A64.7°60.6°
N29C30H30H30A119.0°120.0°
N29C30C31H3162.8°61.6°
N29C30C31H31A177.2°178.3°
C30N29C33H3358.9°176.2°
C30N29C33H33A61.1°56.2°
C30N29C33H33B178.9°63.8°
C33N29C30C31177.7°176.8°
C33N29C28H2862.6°56.9°
C33N29C28H28A57.4°63.2°
C33N29C30H3057.7°63.2°
C33N29C30H30A62.3°56.8°
N29C33H33H33A120.0°120.0°
N29C33H33H33B120.0°120.0°
N29C33H33AH33B120.0°120.0°
C31C30H30H30A119.0°120.1°
C30C31H31H31A118.6°120.1°
H8C8C9H90.1°0.0°
H16C16H16AH16B120.0°120.0°
H18C18C19H1967.8°180.0°
H18C18C19H19A52.2°60.0°
H18AC18C19H19172.2°60.0°
H18AC18C19H19A67.8°180.0°
H19C19C20H2072.1°NaN°
H19C19C20H20A47.9°60.0°
H19AC19C20H20167.9°60.0°
H19AC19C20H20A72.1°180.0°
H26C26N27HN270.0°0.1°
H28C28C32H3263.7°61.7°
H28C28C32H32A56.3°58.4°
H28AC28C32H3256.2°58.4°
H28AC28C32H32A176.2°178.5°
H30C30C31H31177.2°178.5°
H30C30C31H31A57.1°58.4°
H30AC30C31H3157.2°58.4°
H30AC30C31H31A62.8°61.7°
H33C33H33AH33B120.0°120.1°

224931

PDB entries from 2024-09-11

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