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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F15C12sing1.35Å1.35Å
C12C13doub1.38Å1.37ÅAromatic
C12C11sing1.38Å1.37ÅAromatic
C13C14sing1.38Å1.37ÅAromatic
C11C10doub1.38Å1.38ÅAromatic
C14F16sing1.35Å1.36Å
C14C9doub1.38Å1.39ÅAromatic
C10C9sing1.38Å1.39ÅAromatic
C9C7sing1.51Å1.53Å
C17C7sing1.53Å1.53Å
C17N18sing1.47Å1.45Å
O20C19doub1.22Å1.23Å
C7C6sing1.53Å1.54Å
C7O8sing1.43Å1.43Å
N18C19sing1.35Å1.33Å
C19C21sing1.47Å1.50Å
C6N4sing1.46Å1.45Å
N5N4sing1.40Å1.36ÅAromatic
N5C1doub1.31Å1.31ÅAromatic
N4C3sing1.34Å1.33ÅAromatic
C1N2sing1.33Å1.35ÅAromatic
C21C26doub1.39Å1.35Å
C21C22sing1.47Å1.47Å
C26C25sing1.42Å1.42Å
C3N2doub1.31Å1.31ÅAromatic
C22O23doub1.22Å1.21Å
C22O27sing1.35Å1.38Å
C25C30doub1.40Å1.40ÅAromatic
C25C24sing1.41Å1.39ÅAromatic
C30C29sing1.36Å1.38ÅAromatic
O27C24sing1.35Å1.38Å
C24C31doub1.38Å1.39ÅAromatic
C29C28doub1.40Å1.39ÅAromatic
C34C33sing1.53Å1.51Å
C31C28sing1.39Å1.40ÅAromatic
C28N32sing1.39Å1.39Å
C36C35sing1.53Å1.52Å
N32C33sing1.46Å1.47Å
N32C35sing1.47Å1.47Å
C10H1sing1.08Å1.08Å
C11H2sing1.08Å1.08Å
C13H3sing1.08Å1.08Å
C17H4sing1.09Å1.10Å
C17H5sing1.09Å1.10Å
C1H6sing1.08Å1.08Å
C26H7sing1.08Å1.08Å
C29H8sing1.08Å1.08Å
C3H9sing1.08Å1.08Å
C30H10sing1.08Å1.08Å
C31H11sing1.08Å1.08Å
C33H12sing1.09Å1.10Å
C33H13sing1.09Å1.10Å
C34H14sing1.09Å1.10Å
C34H15sing1.09Å1.10Å
C34H16sing1.09Å1.10Å
C35H17sing1.09Å1.10Å
C35H18sing1.09Å1.10Å
C36H19sing1.09Å1.10Å
C36H20sing1.09Å1.10Å
C36H21sing1.09Å1.10Å
C6H22sing1.09Å1.10Å
C6H23sing1.09Å1.10Å
N18H24sing0.97Å1.00Å
O8H25sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F15C12C13118.4°120.0°
F15C12C11118.5°120.1°
C13C12C11123.1°120.0°
C12C13C14116.6°119.9°
C12C13H3121.7°120.0°
C12C11C10118.2°120.1°
C12C11H2120.9°120.0°
C13C14F16117.2°120.0°
C13C14C9123.8°120.0°
C14C13H3121.7°120.0°
C11C10C9122.1°120.0°
C11C10H1119.0°120.0°
C10C11H2120.9°120.0°
F16C14C9119.0°120.0°
C14C9C10116.2°120.0°
C14C9C7123.0°120.0°
C10C9C7120.8°120.0°
C9C10H1119.0°120.0°
C9C7C17110.7°109.5°
C9C7C6109.5°109.5°
C9C7O8110.9°109.5°
C7C17N18114.1°109.5°
C17C7C6112.2°109.5°
C17C7O8106.5°109.5°
C7C17H4108.3°109.5°
C7C17H5108.3°109.5°
C17N18C19120.8°120.0°
N18C17H4108.3°109.5°
N18C17H5108.3°109.4°
C17N18H24119.6°119.9°
O20C19N18121.6°120.0°
O20C19C21120.2°120.0°
C6C7O8107.1°109.4°
C7C6N4112.0°109.5°
C7C6H22108.8°109.5°
C7C6H23108.8°109.5°
C7O8H25109.5°114.0°
N18C19C21118.2°120.0°
C19N18H24119.6°120.1°
C19C21C26117.5°121.4°
C19C21C22122.4°121.4°
C6N4N5121.2°126.8°
C6N4C3129.4°126.8°
N4C6H22108.8°109.5°
N4C6H23108.8°109.5°
N4N5C1102.1°106.8°
N5N4C3109.3°106.3°
N5C1N2115.2°108.9°
N5C1H6122.4°125.5°
N4C3N2111.0°108.1°
N4C3H9124.5°126.0°
C1N2C3102.3°109.8°
N2C1H6122.4°125.5°
C26C21C22119.9°117.3°
C21C26C25121.9°117.9°
C21C26H7119.0°121.1°
C21C22O23127.1°121.0°
C21C22O27116.9°117.9°
C26C25C30124.3°120.4°
C26C25C24118.0°119.8°
C25C26H7119.0°121.0°
N2C3H9124.5°125.9°
O23C22O27115.8°121.1°
C22O27C24122.5°116.3°
C30C25C24117.7°119.8°
C25C30C29121.3°120.0°
C25C30H10119.3°120.0°
C25C24O27120.7°120.3°
C25C24C31121.8°119.5°
C30C29C28120.6°120.4°
C30C29H8119.7°119.8°
C29C30H10119.4°120.0°
O27C24C31117.4°120.2°
C24C31C28119.8°119.8°
C24C31H11120.1°120.1°
C29C28C31118.8°120.5°
C29C28N32120.1°119.8°
C28C29H8119.7°119.8°
C34C33N32112.2°109.5°
C34C33H12108.8°109.5°
C34C33H13108.8°109.5°
C33C34H14109.5°109.5°
C33C34H15109.5°109.5°
C33C34H16109.5°109.5°
C31C28N32121.0°119.8°
C28C31H11120.1°120.1°
C28N32C33121.8°120.0°
C28N32C35121.6°120.0°
C36C35N32112.9°109.5°
C36C35H17108.6°109.4°
C36C35H18108.6°109.5°
C35C36H19109.5°109.5°
C35C36H20109.5°109.5°
C35C36H21109.5°109.5°
C33N32C35116.5°120.0°
N32C33H12108.8°109.5°
N32C33H13108.8°109.5°
N32C35H17108.6°109.5°
N32C35H18108.6°109.5°
H4C17H5109.5°109.4°
H12C33H13109.5°109.4°
H14C34H15109.5°109.5°
H14C34H16109.4°109.4°
H15C34H16109.5°109.5°
H17C35H18109.5°109.5°
H19C36H20109.4°109.5°
H19C36H21109.4°109.5°
H20C36H21109.5°109.5°
H22C6H23109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F15C12C13C11177.8°179.9°
F15C12C13C14176.9°179.9°
F15C12C11C10177.4°179.9°
F15C12C11H22.6°0.0°
F15C12C13H33.1°0.1°
C12C13C14H3180.0°180.0°
C13C12C11C100.4°0.0°
C12C13C14F16176.8°180.0°
C12C13C14C91.1°0.0°
C13C12C11H2179.6°179.9°
C11C12C13C140.9°0.0°
C12C11C10H2180.0°179.9°
C12C11C10C90.1°0.0°
C12C11C10H1179.9°179.7°
C11C12C13H3179.1°180.0°
C13C14F16C9178.0°179.9°
C13C14C9C100.8°0.1°
C13C14C9C7177.5°179.7°
C11C10C9C140.3°0.1°
C11C10C9H1180.0°179.7°
C11C10C9C7178.1°179.7°
F16C14C9C10177.1°180.0°
F16C14C9C74.6°0.3°
F16C14C13H33.2°0.1°
C14C9C10C7178.4°179.7°
C14C9C7C1769.8°59.7°
C14C9C7C654.3°60.3°
C14C9C7O8172.2°179.7°
C14C9C10H1179.7°179.7°
C9C14C13H3178.9°180.0°
C10C9C7C17111.9°120.0°
C10C9C7C6123.9°119.9°
C10C9C7O86.0°0.0°
C9C10C11H2179.9°180.0°
C9C7C17C6122.6°120.0°
C9C7C17O8120.6°120.0°
C9C7C17N18173.0°175.0°
C9C7C6O8120.2°120.0°
C9C7C6N451.2°55.0°
C7C9C10H11.9°0.0°
C9C7C17H452.3°55.0°
C9C7C17H566.3°65.0°
C9C7C6H2269.2°65.0°
C9C7C6H23171.6°175.0°
C9C7O8H25180.0°60.0°
C7C17N18H4120.7°120.1°
C7C17N18H5120.7°120.0°
C17C7C6O8116.4°120.0°
C7C17N18C19101.0°180.0°
C17C7C6N4174.5°175.0°
C7C17H4H5117.9°120.0°
C17C7C6H2254.1°55.0°
C17C7C6H2365.1°65.0°
C7C17N18H2479.0°0.0°
C17C7O8H2559.5°60.0°
C17N18C19O2011.0°0.0°
N18C17C7C650.4°55.0°
N18C17C7O866.4°65.0°
C17N18C19H24180.0°180.0°
C17N18C19C21167.6°180.0°
N18C17H4H5117.9°119.9°
O20C19N18C21178.6°180.0°
O20C19C21C260.6°0.0°
O20C19C21C22176.3°179.7°
O20C19N18H24169.0°180.0°
C7C6N4H22120.4°120.0°
C7C6N4H23120.4°120.0°
C7C6N4N5120.5°55.4°
C7C6N4C357.8°124.9°
C6C7C17H470.3°65.0°
C6C7C17H5171.1°175.0°
C7C6H22H23118.9°120.0°
C6C7O8H2560.7°180.0°
O8C7C6N469.0°65.0°
O8C7C17H4172.9°175.0°
O8C7C17H554.3°55.0°
O8C7C6H22170.6°175.0°
O8C7C6H2351.3°55.0°
N18C19C21C26178.0°180.0°
N18C19C21C222.3°0.3°
C19N18C17H419.6°60.0°
C19N18C17H5138.3°60.0°
C19C21C26C22175.8°179.7°
C19C21C26C25174.0°178.6°
C19C21C22O2312.0°26.2°
C19C21C22O27172.5°153.9°
C19C21C26H76.0°1.4°
C21C19N18H2412.4°0.0°
C6N4N5C3178.6°179.7°
C6N4N5C1177.9°179.9°
C6N4C3N2177.8°180.0°
C6N4C3H92.3°0.3°
N4C6H22H23118.8°120.0°
N4N5C1N20.6°0.0°
N5N4C3N20.7°0.3°
N4N5C1H6179.4°179.7°
N5N4C3H9179.3°180.0°
N5N4C6H220.1°175.4°
N5N4C6H23119.1°64.6°
C1N5N4C30.7°0.2°
N5C1N2H6180.0°179.7°
N5C1N2C30.2°0.2°
N4C3N2C10.3°0.3°
N4C3N2H9180.0°179.7°
C3N4C6H22178.2°4.9°
C3N4C6H2362.6°115.0°
C1N2C3H9179.6°180.0°
C21C26C25H7180.0°180.0°
C26C21C22O23172.4°154.1°
C26C21C22O273.0°25.9°
C21C26C25C30177.2°170.5°
C21C26C25C240.0°9.8°
C22C21C26C251.8°1.1°
C21C22O23O27175.5°179.9°
C21C22O27C242.7°39.2°
C22C21C26H7178.2°178.9°
C26C25C30C24177.2°179.7°
C26C25C30C29176.2°178.2°
C26C25C24O270.5°3.5°
C26C25C24C31177.1°177.9°
C26C25C30H103.7°1.7°
C3N2C1H6179.8°179.9°
O23C22O27C24173.3°140.7°
C22O27C24C251.0°28.3°
C22O27C24C31175.9°153.1°
C25C30C29H10180.0°179.9°
C30C25C24O27176.9°176.3°
C30C25C24C310.2°2.4°
C25C30C29C280.9°0.5°
C30C25C26H72.8°9.5°
C25C30C29H8179.1°179.4°
C24C25C30C291.0°2.0°
C25C24O27C31176.8°178.6°
C25C24C31C280.6°1.2°
C24C25C26H7180.0°170.2°
C24C25C30H10179.0°178.0°
C25C24C31H11179.4°178.7°
C30C29C28H8180.0°179.9°
C30C29C28C310.1°0.7°
C30C29C28N32178.9°179.4°
O27C24C31C28176.2°177.4°
O27C24C31H113.8°2.7°
C24C31C28C290.7°0.3°
C24C31C28H11180.0°179.9°
C24C31C28N32179.6°179.8°
C29C28C31N32178.9°179.9°
C29C28N32C33160.7°0.1°
C29C28N32C3517.1°180.0°
C28C29C30H10179.1°179.6°
C29C28C31H11179.3°179.8°
C34C33N32C2875.2°90.0°
C34C33N32H12120.4°120.0°
C34C33N32H13120.4°120.0°
C34C33N32C35102.7°90.0°
C34C33H12H13118.7°120.0°
C33C34H14H15120.0°120.0°
C33C34H14H16120.0°120.0°
C33C34H15H16120.0°120.0°
C31C28N32C3318.2°179.9°
C31C28N32C35164.0°0.1°
C31C28C29H8180.0°179.4°
C28N32C35C3690.6°90.0°
C28N32C33C35177.9°180.0°
N32C28C29H81.1°0.5°
N32C28C31H110.4°0.1°
C28N32C33H12164.4°150.0°
C28N32C33H1345.2°30.0°
C28N32C35H1729.9°29.9°
C28N32C35H18148.9°150.0°
C36C35N32C3387.3°90.0°
C36C35N32H17120.5°120.0°
C36C35N32H18120.5°120.0°
C36C35H17H18118.4°120.0°
C35C36H19H20120.0°120.0°
C35C36H19H21120.0°120.0°
C35C36H20H21120.0°120.0°
N32C33H12H13118.7°120.0°
N32C33C34H14180.0°180.0°
N32C33C34H1560.0°60.0°
N32C33C34H1660.0°60.0°
C33N32C35H17152.2°150.0°
C33N32C35H1833.2°30.0°
C35N32C33H1217.7°30.0°
C35N32C33H13136.9°150.0°
N32C35H17H18118.4°120.0°
N32C35C36H19180.0°60.0°
N32C35C36H2060.0°60.0°
N32C35C36H2160.0°180.0°
H1C10C11H20.1°0.4°
H4C17N18H24160.3°120.0°
H5C17N18H2441.6°120.0°
H8C29C30H100.8°0.5°
H12C33C34H1459.6°60.0°
H12C33C34H1560.4°60.0°
H12C33C34H16179.6°180.0°
H13C33C34H1459.6°59.9°
H13C33C34H15179.6°180.0°
H13C33C34H1660.4°60.0°
H14C34H15H16119.9°120.0°
H17C35C36H1959.5°60.0°
H17C35C36H2060.5°180.0°
H17C35C36H21179.5°60.0°
H18C35C36H1959.5°180.0°
H18C35C36H20179.5°60.0°
H18C35C36H2160.5°60.0°
H19C36H20H21119.9°120.0°

222415

PDB entries from 2024-07-10

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