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1OC

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O19C18doub1.22Å1.22Å
C11N12sing1.37Å1.38ÅAromatic
C11C10doub1.35Å1.35ÅAromatic
N12C14sing1.37Å1.37ÅAromatic
C21N22doub1.31Å1.30ÅAromatic
C21C20sing1.41Å1.40ÅAromatic
C18C20sing1.46Å1.46Å
C18N17sing1.35Å1.36Å
N22N23sing1.40Å1.40ÅAromatic
C20C24doub1.41Å1.41ÅAromatic
C10N17sing1.41Å1.41Å
C10C9sing1.47Å1.47ÅAromatic
C14N15doub1.33Å1.33ÅAromatic
C14C9sing1.41Å1.42ÅAromatic
N15C16sing1.31Å1.31ÅAromatic
C9C8doub1.39Å1.40ÅAromatic
N23C24sing1.37Å1.37ÅAromatic
N23C28sing1.37Å1.37ÅAromatic
C24N25sing1.33Å1.34ÅAromatic
C16C7doub1.40Å1.40ÅAromatic
C8C7sing1.39Å1.40ÅAromatic
C28C27doub1.35Å1.35ÅAromatic
N25C26doub1.32Å1.32ÅAromatic
C7C5sing1.48Å1.49Å
C26C27sing1.41Å1.41ÅAromatic
C26N29sing1.38Å1.38Å
F38C4sing1.35Å1.35Å
C5C4doub1.39Å1.41ÅAromatic
C5C6sing1.39Å1.39ÅAromatic
N29C30sing1.47Å1.46Å
F37C36sing1.40Å1.37Å
C4C3sing1.38Å1.39ÅAromatic
C30C31sing1.53Å1.53Å
C6C1doub1.38Å1.38ÅAromatic
C36C31sing1.53Å1.53Å
C36C35sing1.53Å1.53Å
C31C32sing1.53Å1.54Å
C3C2doub1.38Å1.38ÅAromatic
C1C2sing1.38Å1.38ÅAromatic
C35N34sing1.47Å1.47Å
C32C33sing1.53Å1.52Å
N34C33sing1.47Å1.46Å
C1H1sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
C6H4sing1.08Å1.08Å
C8H5sing1.08Å1.08Å
C11H6sing1.08Å1.08Å
N12H7sing0.97Å1.00Å
C16H8sing1.08Å1.08Å
N17H9sing0.97Å1.00Å
C21H10sing1.08Å1.08Å
C27H11sing1.08Å1.08Å
C28H12sing1.08Å1.08Å
N29H13sing0.97Å1.00Å
C30H14sing1.09Å1.10Å
C30H15sing1.09Å1.10Å
C31H16sing1.09Å1.10Å
C32H17sing1.09Å1.10Å
C32H18sing1.09Å1.10Å
C33H19sing1.09Å1.10Å
C33H20sing1.09Å1.10Å
N34H21sing1.01Å1.00Å
C35H23sing1.09Å1.10Å
C35H24sing1.09Å1.10Å
C36H25sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O19C18C20117.7°120.0°
O19C18N17122.6°120.1°
N12C11C10110.0°109.8°
C11N12C14109.8°110.0°
N12C11H6125.0°125.1°
C11N12H7125.1°125.0°
C11C10N17127.2°126.6°
C11C10C9106.7°106.8°
C10C11H6125.0°125.1°
N12C14N15132.0°132.9°
N12C14C9107.6°107.1°
C14N12H7125.1°125.0°
N22C21C20108.7°108.7°
C21N22N23109.6°109.6°
N22C21H10125.6°125.6°
C21C20C18125.7°126.6°
C21C20C24107.2°106.8°
C20C21H10125.7°125.6°
C20C18N17119.7°120.0°
C18C20C24127.1°126.6°
C18N17C10124.0°120.0°
C18N17H9118.0°120.1°
N22N23C24108.1°108.1°
N22N23C28131.7°132.1°
C20C24N23106.3°106.7°
C20C24N25132.6°132.4°
N17C10C9126.1°126.6°
C10N17H9118.0°120.0°
C10C9C14105.9°106.3°
C10C9C8134.7°134.1°
N15C14C9120.3°120.0°
C14N15C16121.4°121.9°
C14C9C8119.4°119.6°
N15C16C7122.2°121.4°
N15C16H8118.9°119.3°
C9C8C7117.8°118.0°
C9C8H5121.1°121.0°
C24N23C28120.2°119.9°
N23C24N25121.1°120.9°
N23C28C27118.7°119.3°
N23C28H12120.7°120.3°
C24N25C26120.0°120.8°
C16C7C8118.7°119.2°
C16C7C5119.8°120.4°
C7C16H8118.9°119.3°
C8C7C5121.5°120.4°
C7C8H5121.1°121.1°
C28C27C26119.7°119.3°
C28C27H11120.2°120.4°
C27C28H12120.7°120.3°
N25C26C27120.4°119.9°
N25C26N29120.4°120.1°
C7C5C4122.3°120.1°
C7C5C6118.8°120.1°
C27C26N29119.2°120.1°
C26C27H11120.1°120.3°
C26N29C30121.1°120.0°
C26N29H13106.5°120.0°
F38C4C5122.5°120.1°
F38C4C3117.7°120.1°
C4C5C6118.9°119.8°
C5C4C3119.8°119.8°
C5C6C1120.3°119.9°
C5C6H4119.9°120.1°
N29C30C31105.8°109.5°
C30N29H13106.5°119.9°
N29C30H14110.4°109.5°
N29C30H15110.4°109.4°
F37C36C31108.7°109.5°
F37C36C35108.8°109.5°
F37C36H25111.9°109.5°
C4C3C2120.6°120.1°
C4C3H3119.7°119.9°
C30C31C36109.3°109.5°
C30C31C32111.1°109.6°
C31C30H14110.4°109.5°
C31C30H15110.4°109.5°
C30C31H16108.7°109.5°
C6C1C2120.5°120.2°
C6C1H1119.7°119.8°
C1C6H4119.8°120.1°
C31C36C35108.4°109.3°
C36C31C32110.4°109.1°
C36C31H16108.7°109.6°
C31C36H25109.5°109.5°
C36C35N34110.8°109.5°
C36C35H23109.2°109.5°
C36C35H24109.1°109.4°
C35C36H25109.5°109.5°
C31C32C33107.7°109.3°
C32C31H16108.6°109.6°
C31C32H17109.9°109.5°
C31C32H18109.9°109.6°
C3C2C1119.8°120.3°
C3C2H2120.1°119.9°
C2C3H3119.7°120.0°
C2C1H1119.7°120.0°
C1C2H2120.1°119.9°
C35N34C33112.0°111.2°
C35N34H21108.9°111.0°
N34C35H23109.1°109.5°
N34C35H24109.1°109.5°
C32C33N34107.8°109.5°
C33C32H17110.0°109.5°
C33C32H18109.9°109.5°
C32C33H19109.9°109.5°
C32C33H20109.9°109.5°
N34C33H19109.9°109.5°
N34C33H20109.9°109.5°
C33N34H21108.8°111.0°
H14C30H15109.5°109.4°
H17C32H18109.4°109.5°
H19C33H20109.4°109.5°
H23C35H24109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O19C18C20C211.6°179.7°
O19C18C20N17179.5°180.0°
O19C18C20C24178.1°0.0°
O19C18N17C100.5°0.0°
O19C18N17H9179.5°179.9°
N12C11C10H6180.0°179.9°
C11N12C14H7180.0°180.0°
N12C11C10N17180.0°180.0°
N12C11C10C90.2°0.1°
C11N12C14N15179.9°180.0°
C11N12C14C90.0°0.0°
C10C11N12C140.1°0.0°
C11C10N17C1813.6°0.1°
C11C10N17C9179.8°179.9°
C11C10C9C140.1°0.1°
C11C10C9C8179.8°180.0°
C10C11N12H7179.9°180.0°
C11C10N17H9166.4°180.0°
N12C14C9C100.1°0.0°
N12C14N15C9179.9°180.0°
N12C14N15C16179.5°179.8°
N12C14C9C8179.8°180.0°
C14N12C11H6179.9°179.9°
N22C21C20H10180.0°180.0°
N22C21C20C18179.9°179.9°
N22C21C20C240.4°0.3°
C21N22N23C240.1°0.3°
C21N22N23C28179.6°180.0°
C21C20C18C24179.7°179.6°
C21C20C18N17177.9°0.4°
C20C21N22N230.3°0.0°
C21C20C24N230.3°0.4°
C21C20C24N25179.9°179.7°
C20C18N17C10180.0°179.9°
C18C20C24N23179.9°179.9°
C18C20C24N250.2°0.0°
C20C18N17H90.0°0.0°
C18C20C21H100.1°0.1°
N17C18C20C242.4°180.0°
C18N17C10H9180.0°179.9°
C18N17C10C9166.6°180.0°
N22N23C24C200.1°0.4°
N22N23C24C28179.8°179.8°
N22N23C24N25179.9°179.7°
N22N23C28C27179.8°179.2°
N23N22C21H10179.7°180.0°
N22N23C28H120.2°0.0°
C20C24N23N25179.8°179.9°
C20C24N23C28179.9°179.8°
C20C24N25C26179.7°180.0°
C24C20C21H10179.6°179.8°
N17C10C9C14180.0°180.0°
N17C10C9C80.4°0.1°
N17C10C11H60.0°0.1°
C10C9C14N15179.8°180.0°
C10C9C14C8179.7°180.0°
C10C9C8C7179.8°179.9°
C10C9C8H50.2°0.0°
C9C10C11H6179.8°179.9°
C9C10N17H913.4°0.1°
N15C14C9C80.1°0.0°
C14N15C16C70.7°0.5°
N15C14N12H70.1°0.0°
C14N15C16H8179.3°180.0°
C9C14N15C160.4°0.2°
C14C9C8C70.2°0.0°
C14C9C8H5179.8°179.9°
C9C14N12H7180.0°180.0°
N15C16C7H8180.0°179.5°
N15C16C7C80.8°0.5°
N15C16C7C5179.7°179.7°
C9C8C7C160.5°0.3°
C9C8C7H5180.0°179.9°
C9C8C7C5180.0°180.0°
C24N23C28C270.1°0.5°
N23C24N25C260.6°0.1°
C24N23C28H12179.9°179.7°
C28N23C24N250.3°0.1°
N23C28C27H12180.0°179.2°
N23C28C27C260.2°0.6°
N23C28C27H11179.8°179.7°
C24N25C26C270.7°0.0°
C24N25C26N29179.7°180.0°
C16C7C8C5179.5°179.7°
C16C7C5C434.8°50.2°
C16C7C5C6145.4°129.9°
C16C7C8H5179.5°179.8°
C8C7C5C4145.7°130.1°
C8C7C5C634.0°49.8°
C8C7C16H8179.2°180.0°
C28C27C26N250.5°0.4°
C28C27C26H11180.0°179.7°
C28C27C26N29179.9°179.6°
N25C26C27N29179.6°180.0°
N25C26N29C3030.2°0.0°
N25C26C27H11179.5°179.9°
N25C26N29H13151.8°180.0°
C7C5C4F380.2°0.1°
C7C5C4C6179.7°179.8°
C7C5C4C3179.8°180.0°
C7C5C6C1179.7°179.7°
C7C5C6H40.3°0.2°
C5C7C8H50.0°0.1°
C5C7C16H80.3°0.2°
C27C26N29C30149.5°180.0°
C26C27C28H12179.9°179.9°
C27C26N29H1327.9°0.0°
C26N29C30H13121.6°180.0°
C26N29C30C31109.0°180.0°
N29C26C27H110.1°0.0°
C26N29C30H14131.6°59.9°
C26N29C30H1510.5°60.0°
F38C4C5C3180.0°179.9°
F38C4C5C6180.0°179.8°
F38C4C3C2179.9°180.0°
F38C4C3H30.0°0.1°
C4C5C6C10.0°0.4°
C5C4C3C20.1°0.1°
C5C4C3H3179.9°180.0°
C4C5C6H4180.0°180.0°
C6C5C4C30.1°0.1°
C5C6C1H4180.0°179.6°
C5C6C1C20.1°0.5°
C5C6C1H1179.9°179.7°
N29C30C31H14119.4°120.0°
N29C30C31H15119.4°120.0°
N29C30C31C36115.5°65.3°
N29C30C31C32122.4°175.0°
N29C30H14H15121.7°119.9°
N29C30C31H163.0°54.9°
F37C36C31C3062.8°62.5°
F37C36C31C35118.2°119.9°
F37C36C31H25122.5°120.1°
F37C36C35H25122.6°120.1°
F37C36C31C32174.7°177.6°
F37C36C35N34173.1°179.2°
F37C36C31H1655.7°57.6°
F37C36C35H2366.7°59.1°
F37C36C35H2452.9°60.8°
C4C3C2H3180.0°179.8°
C4C3C2C10.0°0.1°
C4C3C2H2180.0°179.9°
C30C31C36C32122.5°119.9°
C30C31C36H16118.5°120.1°
C30C31C36C35179.1°177.6°
C30C31C32H16119.5°120.1°
C30C31C32C33177.7°177.6°
C31C30N29H1312.6°0.0°
C31C30H14H15121.7°120.0°
C30C31C32H1757.9°62.5°
C30C31C32H1862.6°57.6°
C30C31C36H2559.7°57.6°
C6C1C2C30.1°0.2°
C6C1C2H1180.0°179.8°
C6C1C2H2179.9°179.7°
C31C36C35H25119.4°120.0°
C36C31C32H16119.1°120.0°
C31C36C35N3455.1°59.2°
C36C31C32C3360.9°57.7°
C36C31C30H14125.1°174.7°
C36C31C30H153.9°54.7°
C36C31C32H17179.4°177.6°
C36C31C32H1858.9°62.3°
C31C36C35H23175.2°60.8°
C31C36C35H2465.1°179.2°
C35C36C31C3256.6°57.7°
C36C35N34H23120.2°120.0°
C36C35N34H24120.2°120.0°
C36C35N34C3360.3°61.8°
C35C36C31H1662.4°62.3°
C36C35N34H2160.0°62.3°
C36C35H23H24119.4°119.9°
C31C32C33H17119.7°120.0°
C31C32C33H18119.7°120.0°
C31C32C33N3462.4°59.2°
C32C31C30H143.0°55.0°
C32C31C30H15118.2°65.0°
C31C32H17H18120.8°120.1°
C31C32C33H1957.3°60.8°
C31C32C33H20177.8°179.2°
C32C31C36H2562.8°62.3°
C3C2C1H2180.0°179.9°
C3C2C1H1179.9°180.0°
C1C2C3H3180.0°180.0°
C2C1C6H4179.9°180.0°
C35N34C33C3263.5°61.8°
C35N34C33H21120.4°124.1°
C35N34C33H1956.3°58.3°
C35N34C33H20176.8°178.2°
N34C35H23H24119.4°120.0°
N34C35C36H2564.3°60.8°
C32C33N34H19119.7°120.0°
C32C33N34H20119.8°120.0°
C33C32C31H1658.2°62.3°
C33C32H17H18120.9°120.0°
C32C33H19H20120.7°120.0°
C32C33N34H2156.9°62.3°
N34C33C32H17177.8°179.2°
N34C33C32H1857.3°60.8°
N34C33H19H20120.8°120.0°
C33N34C35H23179.5°58.2°
C33N34C35H2459.8°178.3°
H1C1C2H20.1°0.1°
H1C1C6H40.1°0.2°
H2C2C3H30.0°0.1°
H6C11N12H70.1°0.1°
H11C27C28H120.2°0.5°
H13N29C30H14106.8°120.0°
H13N29C30H15132.1°120.0°
H14C30C31H16116.4°65.2°
H15C30C31H16122.4°174.8°
H16C31C32H1761.5°57.7°
H16C31C32H18178.0°177.7°
H16C31C36H25178.2°177.7°
H17C32C33H1962.4°59.2°
H17C32C33H2058.1°60.8°
H18C32C33H19177.1°179.2°
H18C32C33H2062.5°59.2°
H19C33N34H21176.7°177.7°
H20C33N34H2162.9°57.7°
H21N34C35H2360.2°177.7°
H21N34C35H24179.8°57.7°
H23C35C36H2555.9°179.2°
H24C35C36H25175.5°59.2°

223166

PDB entries from 2024-07-31

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