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9LS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C32C28doub1.38Å1.39ÅAromatic
C32C31sing1.38Å1.38ÅAromatic
C28C16sing1.38Å1.38ÅAromatic
C31C27doub1.38Å1.39ÅAromatic
C25C18doub1.38Å1.39ÅAromatic
C25C22sing1.38Å1.38ÅAromatic
C16F23sing1.35Å1.37Å
C16C14doub1.39Å1.39ÅAromatic
C18C12sing1.40Å1.40ÅAromatic
C27C14sing1.39Å1.40ÅAromatic
C14N9sing1.40Å1.41Å
N3C5sing1.36Å1.40ÅAromatic
N3C2doub1.31Å1.33ÅAromatic
CL26C22sing1.74Å1.74Å
C10C5doub1.40Å1.40ÅAromatic
C10C13sing1.38Å1.39ÅAromatic
C22C24doub1.39Å1.39ÅAromatic
F21C13sing1.35Å1.34Å
C5C4sing1.41Å1.39ÅAromatic
C12C2sing1.48Å1.48Å
C12C19doub1.40Å1.39ÅAromatic
C2N1sing1.37Å1.38ÅAromatic
N9C6sing1.35Å1.35Å
C13C11doub1.39Å1.39ÅAromatic
C24C19sing1.38Å1.39ÅAromatic
C4N1sing1.38Å1.39ÅAromatic
C4C8doub1.39Å1.39ÅAromatic
N1C7sing1.46Å1.50Å
C11C8sing1.38Å1.36ÅAromatic
C11F20sing1.35Å1.35Å
C6C7sing1.51Å1.54Å
C6O15doub1.21Å1.23Å
C7C17sing1.53Å1.55Å
C17C30sing1.53Å1.54Å
C17C29sing1.53Å1.54Å
C30C34sing1.53Å1.54Å
C29C33sing1.53Å1.54Å
C34C35sing1.53Å1.54Å
C33C35sing1.53Å1.53Å
C7H1sing1.09Å1.10Å
C8H2sing1.08Å1.08Å
C10H3sing1.08Å1.08Å
C17H4sing1.09Å1.10Å
C24H5sing1.08Å1.08Å
C28H6sing1.08Å1.08Å
C32H7sing1.08Å1.08Å
C31H8sing1.08Å1.08Å
C27H9sing1.08Å1.08Å
N9H10sing0.97Å1.00Å
C29H11sing1.09Å1.10Å
C29H12sing1.09Å1.10Å
C33H13sing1.09Å1.10Å
C33H14sing1.09Å1.10Å
C35H15sing1.09Å1.10Å
C35H16sing1.09Å1.10Å
C34H17sing1.09Å1.10Å
C34H18sing1.09Å1.10Å
C30H19sing1.09Å1.10Å
C30H20sing1.09Å1.10Å
C18H21sing1.08Å1.08Å
C25H22sing1.08Å1.08Å
C19H23sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C28C32C31120.5°120.1°
C32C28C16118.2°120.1°
C32C28H6120.9°119.9°
C28C32H7119.8°119.9°
C32C31C27120.5°120.2°
C31C32H7119.8°120.0°
C32C31H8119.7°120.0°
C28C16F23119.0°120.1°
C28C16C14123.1°119.9°
C16C28H6120.9°120.0°
C31C27C14119.9°119.9°
C27C31H8119.7°119.9°
C31C27H9120.1°120.1°
C18C25C22119.1°120.1°
C25C18C12121.0°119.9°
C25C18H21119.5°120.1°
C18C25H22120.5°120.0°
C25C22CL26119.3°119.9°
C25C22C24121.3°120.3°
C22C25H22120.4°119.9°
F23C16C14117.9°120.1°
C16C14C27117.8°119.9°
C16C14N9121.0°120.0°
C18C12C2118.8°120.1°
C18C12C19118.6°119.7°
C12C18H21119.5°120.0°
C27C14N9121.2°120.1°
C14C27H9120.0°120.0°
C14N9C6127.3°120.0°
C14N9H10116.3°120.0°
C5N3C2104.8°109.7°
N3C5C10130.8°133.3°
N3C5C4110.1°107.2°
N3C2C12124.5°125.1°
N3C2N1112.6°109.8°
CL26C22C24119.4°119.8°
C5C10C13117.2°119.8°
C10C5C4119.1°119.5°
C5C10H3121.4°120.1°
C10C13F21119.4°119.7°
C10C13C11122.1°120.5°
C13C10H3121.4°120.1°
C22C24C19119.3°120.1°
C22C24H5120.4°119.9°
F21C13C11118.5°119.7°
C5C4N1105.6°106.2°
C5C4C8123.3°120.0°
C2C12C19122.6°120.2°
C12C2N1122.9°125.1°
C12C19C24120.7°119.9°
C12C19H23119.6°120.1°
C2N1C4107.0°107.2°
C2N1C7125.0°126.4°
N9C6C7113.4°120.0°
N9C6O15124.5°120.0°
C6N9H10116.3°120.0°
C13C11C8121.8°120.4°
C13C11F20119.2°119.8°
C19C24H5120.4°120.0°
C24C19H23119.7°120.0°
N1C4C8131.2°133.8°
C4N1C7127.9°126.4°
C4C8C11116.6°119.9°
C4C8H2121.7°120.1°
N1C7C6109.6°109.5°
N1C7C17113.1°109.5°
N1C7H1106.5°109.4°
C8C11F20119.0°119.8°
C11C8H2121.7°120.0°
C7C6O15122.1°120.0°
C6C7C17114.9°109.5°
C6C7H1106.0°109.4°
C7C17C30110.9°109.5°
C7C17C29111.5°109.5°
C17C7H1106.0°109.5°
C7C17H4108.2°109.5°
C30C17C29109.6°109.5°
C17C30C34112.5°109.5°
C30C17H4108.2°109.4°
C17C30H19108.7°109.5°
C17C30H20108.7°109.5°
C17C29C33112.2°109.5°
C29C17H4108.3°109.5°
C17C29H11108.8°109.5°
C17C29H12108.8°109.5°
C30C34C35111.0°109.5°
C30C34H17109.1°109.4°
C30C34H18109.1°109.5°
C34C30H19108.7°109.4°
C34C30H20108.7°109.5°
C29C33C35111.4°109.5°
C33C29H11108.8°109.5°
C33C29H12108.8°109.4°
C29C33H13109.0°109.4°
C29C33H14109.0°109.5°
C34C35C33110.9°109.5°
C34C35H15109.1°109.5°
C34C35H16109.1°109.5°
C35C34H17109.1°109.5°
C35C34H18109.1°109.5°
C35C33H13109.0°109.5°
C35C33H14109.0°109.5°
C33C35H15109.1°109.5°
C33C35H16109.1°109.4°
H11C29H12109.5°109.5°
H13C33H14109.5°109.4°
H15C35H16109.4°109.4°
H17C34H18109.4°109.5°
H19C30H20109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C28C32C31H7180.0°179.9°
C32C28C16H6180.0°179.7°
C28C32C31C270.2°0.1°
C32C28C16F23180.0°179.7°
C32C28C16C140.0°0.3°
C28C32C31H8179.8°180.0°
C31C32C28C160.0°0.1°
C32C31C27H8180.0°180.0°
C32C31C27C140.2°0.3°
C31C32C28H6179.9°179.7°
C32C31C27H9179.8°180.0°
C28C16F23C14179.9°180.0°
C28C16C14C270.0°0.6°
C28C16C14N9180.0°180.0°
C16C28C32H7179.9°180.0°
C31C27C14C160.1°0.6°
C31C27C14H9180.0°179.7°
C31C27C14N9179.9°180.0°
C27C31C32H7179.8°180.0°
C18C25C22H22180.0°179.9°
C25C18C12H21180.0°180.0°
C18C25C22CL26179.9°179.7°
C18C25C22C240.1°0.1°
C25C18C12C2179.4°179.9°
C25C18C12C190.7°0.0°
C22C25C18C120.3°0.1°
C25C22CL26C24179.9°179.8°
C25C22C24C190.0°0.0°
C25C22C24H5180.0°180.0°
C22C25C18H21179.7°180.0°
F23C16C14C27180.0°179.5°
F23C16C14N90.1°0.0°
F23C16C28H60.0°0.0°
C16C14C27N9180.0°179.4°
C16C14N9C697.8°165.6°
C14C16C28H6180.0°180.0°
C16C14C27H9179.9°179.7°
C16C14N9H1082.2°14.4°
C18C12C2N392.7°161.0°
C18C12C2C19178.6°179.9°
C18C12C2N186.3°18.6°
C18C12C19C240.8°0.1°
C12C18C25H22179.7°179.9°
C18C12C19H23179.2°179.9°
C27C14N9C682.2°15.0°
C14C27C31H8179.8°179.7°
C27C14N9H1097.8°165.0°
C14N9C6H10180.0°180.0°
C14N9C6C7179.6°176.0°
C14N9C6O150.5°4.1°
N9C14C27H90.1°0.3°
N3C5C10C4180.0°179.8°
N3C5C10C13179.8°180.0°
C5N3C2C12179.3°180.0°
C5N3C2N10.1°0.4°
N3C5C4N10.2°0.0°
N3C5C4C8179.7°180.0°
N3C5C10H30.2°0.1°
C2N3C5C10179.8°180.0°
C2N3C5C40.2°0.2°
N3C2C12N1179.1°179.6°
N3C2C12C1988.7°18.9°
N3C2N1C40.0°0.3°
N3C2N1C7179.8°179.9°
CL26C22C24C19179.9°179.7°
CL26C22C24H50.1°0.2°
CL26C22C25H220.1°0.2°
C5C10C13H3180.0°180.0°
C5C10C13F21179.9°180.0°
C5C10C13C110.0°0.1°
C10C5C4N1179.8°179.8°
C10C5C4C80.3°0.2°
C10C13F21C11179.9°179.9°
C13C10C5C40.2°0.3°
C10C13C11C80.1°0.1°
C10C13C11F20179.7°180.0°
C22C24C19C120.4°0.0°
C22C24C19H5180.0°180.0°
C24C22C25H22179.9°180.0°
C22C24C19H23179.6°180.0°
F21C13C11C8179.9°179.8°
F21C13C11F200.1°0.1°
F21C13C10H30.1°0.0°
C5C4N1C20.1°0.2°
C5C4N1C8179.4°179.9°
C5C4N1C7179.9°180.0°
C5C4C8C110.3°0.0°
C5C4C8H2179.7°180.0°
C4C5C10H3179.8°179.7°
C2C12C19C24179.4°180.0°
C12C2N1C4179.2°180.0°
C12C2N1C70.6°0.2°
C2C12C18H210.6°0.0°
C2C12C19H230.6°0.0°
C19C12C2N192.3°161.5°
C12C19C24H23180.0°180.0°
C12C19C24H5179.6°179.9°
C19C12C18H21179.3°180.0°
C2N1C4C7179.8°179.8°
C2N1C4C8179.5°179.7°
C2N1C7C6114.0°64.7°
C2N1C7C17116.4°175.3°
C2N1C7H10.3°55.2°
N9C6C7N135.9°171.0°
N9C6C7O15179.9°179.9°
N9C6C7C17164.6°68.9°
N9C6C7H178.7°51.1°
C13C11C8C40.2°0.1°
C13C11C8F20179.8°179.9°
C13C11C8H2179.8°179.8°
C11C13C10H3179.9°179.8°
N1C4C8C11179.6°180.0°
C4N1C7C665.7°115.1°
C4N1C7C1763.9°5.0°
C4N1C7H1180.0°125.0°
N1C4C8H20.4°0.1°
C8C4N1C70.7°0.1°
C4C8C11H2180.0°179.9°
C4C8C11F20179.6°180.0°
N1C7C6C17128.7°120.1°
N1C7C6H1114.6°119.9°
N1C7C6O15144.0°9.0°
N1C7C17H1116.4°120.0°
N1C7C17C3040.3°66.8°
N1C7C17C29162.8°173.2°
N1C7C17H478.3°53.2°
F20C11C8H20.4°0.1°
C6C7C17H1116.8°120.0°
C6C7C17C30167.2°173.2°
C6C7C17C2970.4°53.1°
C6C7C17H448.6°66.9°
C7C6N9H100.3°4.0°
O15C6C7C1715.3°111.1°
O15C6C7H1101.5°128.9°
O15C6N9H10179.5°175.9°
C7C17C30C29123.6°120.1°
C7C17C30H4118.5°120.0°
C7C17C29H4118.9°120.0°
C7C17C30C34178.2°180.0°
C7C17C29C33177.9°180.0°
C7C17C29H1161.7°60.0°
C7C17C29H1257.5°60.0°
C7C17C30H1957.8°60.1°
C7C17C30H2061.4°59.9°
C30C17C29H4117.8°120.0°
C17C30C34H19120.5°120.0°
C17C30C34H20120.4°120.1°
C30C17C29C3354.6°60.0°
C17C30C34C3555.6°60.0°
C30C17C7H176.1°53.2°
C30C17C29H11175.1°180.0°
C30C17C29H1265.8°60.0°
C17C30C34H17175.8°60.0°
C17C30C34H1864.7°180.0°
C17C30H19H20118.6°120.0°
C29C17C30C3454.6°60.0°
C17C29C33H11120.4°120.0°
C17C29C33H12120.4°120.0°
C17C29C33C3556.2°60.0°
C29C17C7H146.4°66.8°
C17C29H11H12118.7°120.0°
C17C29C33H1364.1°60.0°
C17C29C33H14176.4°180.0°
C29C17C30H1965.8°60.0°
C29C17C30H20175.0°180.0°
C30C34C35H17120.3°120.0°
C30C34C35H18120.3°120.0°
C30C34C35C3355.3°60.0°
C34C30C17H463.3°60.0°
C30C34C35H1565.0°180.0°
C30C34C35H16175.5°60.0°
C30C34H17H18119.3°120.0°
C34C30H19H20118.6°120.0°
C29C33C35C3455.6°60.0°
C29C33C35H13120.3°120.0°
C29C33C35H14120.3°120.0°
C33C29C17H463.2°60.0°
C33C29H11H12118.8°120.0°
C29C33H13H14119.2°120.0°
C29C33C35H1564.6°180.0°
C29C33C35H16175.9°60.0°
C34C35C33H15120.2°120.1°
C34C35C33H16120.2°120.0°
C34C35C33H1364.7°60.0°
C34C35C33H14175.9°180.0°
C34C35H15H16119.3°120.0°
C35C34H17H18119.3°120.0°
C35C34C30H1964.9°60.0°
C35C34C30H20176.0°180.0°
C35C33C29H11176.6°180.0°
C35C33C29H1264.2°60.0°
C35C33H13H14119.1°120.0°
C33C35H15H16119.3°119.9°
C33C35C34H17175.5°60.0°
C33C35C34H1865.0°180.0°
H1C7C17H4165.4°173.2°
H4C17C29H1157.2°60.0°
H4C17C29H12176.4°180.0°
H4C17C30H19176.3°180.0°
H4C17C30H2057.2°60.0°
H5C24C19H230.4°0.1°
H6C28C32H70.1°0.3°
H7C32C31H80.2°0.0°
H8C31C27H90.2°0.0°
H11C29C33H1356.3°60.0°
H11C29C33H1463.2°59.9°
H12C29C33H13175.5°NaN°
H12C29C33H1456.0°60.1°
H13C33C35H15175.1°60.1°
H13C33C35H1655.6°180.0°
H14C33C35H1555.7°59.9°
H14C33C35H1663.8°60.0°
H15C35C34H1755.3°60.1°
H15C35C34H18174.8°60.0°
H16C35C34H1764.2°180.0°
H16C35C34H1855.3°60.0°
H17C34C30H1955.3°180.0°
H17C34C30H2063.8°60.1°
H18C34C30H19174.8°60.0°
H18C34C30H2055.8°60.0°
H21C18C25H220.3°0.1°

224931

PDB entries from 2024-09-11

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