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IA3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O6C5sing1.35Å1.37Å
C1O2sing1.45Å1.38Å
O2C3sing1.35Å1.26Å
C5C3sing1.48Å1.51Å
C5C7doub1.36Å1.35Å
O9C8doub1.21Å1.21Å
C17C18doub1.38Å1.40ÅAromatic
C17C15sing1.38Å1.37ÅAromatic
C3O4doub1.21Å1.21Å
C18C12sing1.38Å1.41ÅAromatic
C8C7sing1.42Å1.49Å
C8C10sing1.51Å1.58Å
CL1C15sing1.74Å1.79Å
C15C14doub1.38Å1.39ÅAromatic
C12C11sing1.51Å1.54Å
C12C13doub1.38Å1.41ÅAromatic
C11C10sing1.53Å1.54Å
C10C19sing1.53Å1.55Å
C10C31sing1.53Å1.58Å
C19C20sing1.53Å1.51Å
C20N21sing1.47Å1.49Å
C14C13sing1.38Å1.40ÅAromatic
C31C30sing1.53Å1.49Å
N21C30sing1.47Å1.50Å
N21C22sing1.47Å1.54Å
C22C23sing1.51Å1.50Å
C23C29doub1.38Å1.40ÅAromatic
C23C24sing1.39Å1.42ÅAromatic
C29C28sing1.38Å1.39ÅAromatic
F25C24sing1.35Å1.33Å
C24C26doub1.38Å1.42ÅAromatic
C28C27doub1.38Å1.40ÅAromatic
C26C27sing1.38Å1.41ÅAromatic
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C7H4sing1.08Å1.08Å
C11H5sing1.09Å1.10Å
C11H6sing1.09Å1.10Å
C13H7sing1.08Å1.08Å
C14H8sing1.08Å1.08Å
C17H9sing1.08Å1.08Å
C18H10sing1.08Å1.08Å
C19H11sing1.09Å1.10Å
C19H12sing1.09Å1.10Å
C20H13sing1.09Å1.10Å
C20H14sing1.09Å1.10Å
C22H15sing1.09Å1.10Å
C22H16sing1.09Å1.10Å
C26H17sing1.08Å1.08Å
C27H18sing1.08Å1.08Å
C28H19sing1.08Å1.08Å
C29H20sing1.08Å1.08Å
C30H21sing1.09Å1.10Å
C30H22sing1.09Å1.10Å
C31H23sing1.09Å1.10Å
C31H24sing1.09Å1.10Å
O6H26sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O6C5C3116.9°120.0°
O6C5C7125.9°120.0°
C5O6H26109.5°113.9°
C1O2C3112.4°117.0°
O2C1H1109.5°109.4°
O2C1H2109.5°109.5°
O2C1H3109.5°109.5°
O2C3C5122.6°120.0°
O2C3O4115.9°120.0°
C3C5C7117.2°120.0°
C5C3O4121.4°120.0°
C5C7C8127.4°120.0°
C5C7H4116.3°120.0°
O9C8C7117.9°120.0°
O9C8C10117.7°120.0°
C18C17C15117.4°120.0°
C17C18C12122.4°120.0°
C18C17H9121.3°120.0°
C17C18H10118.8°120.0°
C17C15CL1117.9°120.0°
C17C15C14124.0°120.0°
C15C17H9121.3°120.0°
C18C12C11121.1°119.9°
C18C12C13116.9°120.1°
C12C18H10118.8°120.0°
C7C8C10124.4°120.0°
C8C7H4116.3°120.0°
C8C10C11108.2°109.5°
C8C10C19108.6°109.5°
C8C10C31110.1°109.5°
CL1C15C14118.0°120.0°
C15C14C13117.1°120.0°
C15C14H8121.4°120.0°
C11C12C13122.0°120.0°
C12C11C10114.1°109.5°
C12C11H5108.3°109.4°
C12C11H6108.3°109.5°
C12C13C14122.1°120.0°
C12C13H7118.9°120.0°
C11C10C19111.1°109.5°
C11C10C31111.2°109.6°
C10C11H5108.3°109.5°
C10C11H6108.3°109.5°
C19C10C31107.6°109.2°
C10C19C20111.1°109.2°
C10C19H11109.0°109.5°
C10C19H12109.1°109.5°
C10C31C30113.5°109.3°
C10C31H23108.5°109.5°
C10C31H24108.4°109.5°
C19C20N21108.5°109.5°
C20C19H11109.0°109.5°
C20C19H12109.0°109.5°
C19C20H13109.7°109.4°
C19C20H14109.7°109.5°
C20N21C30115.2°111.2°
C20N21C22106.6°111.0°
N21C20H13109.7°109.5°
N21C20H14109.7°109.5°
C14C13H7119.0°120.0°
C13C14H8121.5°120.0°
C31C30N21108.2°109.5°
C31C30H21109.8°109.4°
C31C30H22109.8°109.4°
C30C31H23108.4°109.5°
C30C31H24108.5°109.5°
C30N21C22105.2°111.0°
N21C30H21109.8°109.5°
N21C30H22109.8°109.4°
N21C22C23107.8°109.4°
N21C22H15109.9°109.5°
N21C22H16109.9°109.5°
C22C23C29117.8°120.0°
C22C23C24122.8°120.0°
C23C22H15109.9°109.5°
C23C22H16109.9°109.5°
C29C23C24119.4°120.0°
C23C29C28121.5°120.0°
C23C29H20119.2°120.0°
C23C24F25121.5°120.0°
C23C24C26119.4°119.9°
C29C28C27119.1°120.1°
C29C28H19120.4°120.0°
C28C29H20119.2°120.0°
F25C24C26119.1°120.0°
C24C26C27119.5°120.0°
C24C26H17120.3°120.0°
C28C27C26121.0°120.1°
C28C27H18119.5°120.0°
C27C28H19120.4°120.0°
C27C26H17120.3°120.1°
C26C27H18119.5°120.0°
H1C1H2109.5°109.4°
H1C1H3109.5°109.5°
H2C1H3109.5°109.5°
H5C11H6109.5°109.5°
H11C19H12109.5°109.6°
H13C20H14109.5°109.4°
H15C22H16109.5°109.5°
H21C30H22109.4°109.5°
H23C31H24109.4°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O6C5C3O212.0°0.1°
O6C5C3C7179.1°179.9°
O6C5C3O4171.0°180.0°
O6C5C7C80.3°8.8°
O6C5C7H4179.7°171.3°
C1O2C3C5112.0°179.9°
C1O2C3O465.2°0.0°
O2C1H1H2120.0°120.0°
O2C1H1H3120.0°120.0°
O2C1H2H3120.0°120.1°
O2C3C5O4177.0°179.9°
O2C3C5C7167.1°180.0°
C3O2C1H1180.0°60.0°
C3O2C1H260.0°180.0°
C3O2C1H360.0°60.0°
C3C5C7C8179.3°171.1°
C3C5C7H40.7°8.8°
C3C5O6H26174.3°173.4°
C5C7C8O917.1°5.7°
C7C5C3O49.9°0.1°
C5C7C8H4180.0°180.0°
C5C7C8C10161.3°174.4°
C7C5O6H266.7°6.7°
O9C8C7C10178.4°179.9°
O9C8C10C1192.3°111.5°
O9C8C10C1928.3°8.6°
O9C8C10C31145.9°128.3°
O9C8C7H4162.9°174.3°
C18C17C15H9180.0°179.5°
C17C18C12H10180.0°179.4°
C18C17C15CL1178.8°179.7°
C18C17C15C140.5°0.3°
C17C18C12C11179.7°179.7°
C17C18C12C130.3°0.6°
C15C17C18C120.3°0.6°
C17C15CL1C14178.4°180.0°
C17C15C14C131.8°0.0°
C17C15C14H8178.2°180.0°
C15C17C18H10179.7°179.9°
C18C12C11C13179.4°179.7°
C18C12C11C1093.7°84.7°
C18C12C13C141.8°0.3°
C18C12C11H5145.6°155.3°
C18C12C11H627.0°35.3°
C18C12C13H7178.2°179.7°
C12C18C17H9179.6°180.0°
C7C8C10C1186.1°68.5°
C7C8C10C19153.3°171.3°
C7C8C10C3135.7°51.6°
C8C10C11C1259.3°60.9°
C8C10C11C19119.1°120.1°
C8C10C11C31121.1°120.2°
C8C10C19C31119.2°119.9°
C8C10C19C2062.8°62.3°
C8C10C31C3062.8°62.3°
C10C8C7H418.7°5.6°
C8C10C11H5179.9°179.1°
C8C10C11H661.4°59.1°
C8C10C19H11177.0°177.8°
C8C10C19H1257.5°57.7°
C8C10C31H2357.8°57.7°
C8C10C31H24176.6°177.8°
CL1C15C14C13179.8°180.0°
CL1C15C14H80.2°0.0°
CL1C15C17H91.2°0.3°
C15C14C13C122.5°0.0°
C15C14C13H8180.0°180.0°
C15C14C13H7177.5°180.0°
C14C15C17H9179.5°179.8°
C12C11C10H5120.6°119.9°
C12C11C10H6120.7°120.0°
C12C11C10C19178.4°59.2°
C12C11C10C3161.8°178.9°
C11C12C13C14178.8°180.0°
C12C11H5H6117.9°120.0°
C11C12C13H71.2°0.0°
C11C12C18H100.3°0.3°
C13C12C11C1085.7°95.6°
C12C13C14H7180.0°180.0°
C13C12C11H535.0°24.4°
C13C12C11H6153.6°144.4°
C12C13C14H8177.5°180.0°
C13C12C18H10179.7°179.9°
C11C10C19C31121.9°120.0°
C11C10C19C20178.4°177.6°
C11C10C31C30177.2°177.6°
C10C11H5H6117.9°120.0°
C11C10C19H1158.1°57.7°
C11C10C19H1261.4°62.4°
C11C10C31H2362.2°62.5°
C11C10C31H2456.6°57.7°
C10C19C20H11120.2°119.9°
C10C19C20H12120.2°120.0°
C10C19C20N2158.6°59.2°
C19C10C31C3055.4°57.6°
C19C10C11H560.9°60.7°
C19C10C11H657.7°179.2°
C10C19H11H12119.3°120.1°
C10C19C20H13178.5°179.2°
C10C19C20H1461.2°60.9°
C19C10C31H23176.0°177.6°
C19C10C31H2465.2°62.3°
C31C10C19C2056.4°57.6°
C10C31C30H23120.6°119.9°
C10C31C30H24120.6°119.9°
C10C31C30N2154.2°59.2°
C31C10C11H558.9°59.0°
C31C10C11H6177.5°61.0°
C31C10C19H1163.8°62.2°
C31C10C19H12176.7°177.6°
C10C31C30H2165.6°60.9°
C10C31C30H22174.0°179.2°
C10C31H23H24118.1°120.1°
C19C20N21H13119.8°119.9°
C19C20N21H14119.9°120.1°
C19C20N21C3059.6°61.8°
C19C20N21C22175.9°174.1°
C20C19H11H12119.2°120.2°
C19C20H13H14120.5°119.9°
C20N21C30C3157.2°61.8°
C20N21C30C22117.1°124.0°
C20N21C22C23130.6°171.6°
N21C20C19H1161.6°60.7°
N21C20C19H12178.9°179.1°
N21C20H13H14120.5°120.0°
C20N21C22H1510.8°68.4°
C20N21C22H16109.7°51.6°
C20N21C30H2162.6°58.2°
C20N21C30H22177.0°178.2°
C31C30N21H21119.8°120.0°
C31C30N21H22119.8°120.0°
C31C30N21C22174.2°174.2°
C31C30H21H22120.6°119.9°
C30C31H23H24118.2°120.1°
C30N21C22C23106.6°64.2°
C30N21C20H13179.5°178.3°
C30N21C20H1460.2°58.3°
C30N21C22H15133.6°55.7°
C30N21C22H1613.1°175.7°
N21C30H21H22120.6°120.0°
N21C30C31H23174.8°179.1°
N21C30C31H2466.4°60.7°
N21C22C23H15119.8°120.0°
N21C22C23H16119.7°120.0°
N21C22C23C2975.5°105.6°
N21C22C23C24103.5°74.8°
C22N21C20H1364.3°54.2°
C22N21C20H1456.0°65.8°
N21C22H15H16120.8°120.1°
C22N21C30H2154.4°65.8°
C22N21C30H2265.9°54.2°
C22C23C29C24179.1°179.7°
C22C23C29C28179.4°179.7°
C22C23C24F250.9°0.1°
C22C23C24C26179.2°180.0°
C23C22H15H16120.8°120.0°
C22C23C29H200.5°0.1°
C23C29C28H20180.0°179.7°
C29C23C24F25179.9°179.7°
C29C23C24C260.2°0.3°
C23C29C28C270.3°0.6°
C29C23C22H1544.2°14.4°
C29C23C22H16164.7°134.4°
C23C29C28H19179.7°179.6°
C24C23C29C280.4°0.6°
C23C24F25C26179.9°180.0°
C23C24C26C270.1°0.0°
C24C23C22H15136.7°165.3°
C24C23C22H1616.2°45.3°
C23C24C26H17179.9°180.0°
C24C23C29H20179.6°179.7°
C29C28C27H19180.0°179.8°
C29C28C27C260.0°0.3°
C29C28C27H18180.0°179.7°
F25C24C26C27179.8°180.0°
F25C24C26H170.2°0.0°
C24C26C27C280.2°0.0°
C24C26C27H17180.0°180.0°
C24C26C27H18179.8°180.0°
C28C27C26H18180.0°180.0°
C28C27C26H17179.8°180.0°
C27C28C29H20179.7°179.7°
C26C27C28H19180.0°179.9°
H1C1H2H3120.0°120.0°
H7C13C14H82.5°0.0°
H9C17C18H100.4°0.6°
H11C19C20H1358.3°59.3°
H11C19C20H14178.6°179.2°
H12C19C20H1361.3°60.9°
H12C19C20H1459.1°59.1°
H17C26C27H180.2°0.0°
H18C27C28H190.0°0.1°
H19C28C29H200.3°0.0°
H21C30C31H2355.0°59.1°
H21C30C31H24173.8°179.2°
H22C30C31H2365.4°60.9°
H22C30C31H2453.4°59.3°

250835

PDB entries from 2026-03-18

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