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WI5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C18O3sing1.43Å1.46Å
C18C17sing1.53Å1.52Å
C14O2sing1.43Å1.41Å
C14C15sing1.54Å1.54Å
O2C13sing1.36Å1.40Å
O3C19sing1.43Å1.46Å
C17N2sing1.47Å1.40Å
C19C20sing1.53Å1.52Å
C15C16sing1.53Å1.53Å
C15N1sing1.47Å1.46Å
N2C20sing1.47Å1.40Å
N2C16sing1.47Å1.45Å
C13C12doub1.37Å1.53ÅAromatic
C13C8sing1.40Å1.27ÅAromatic
C12C11sing1.39Å1.42ÅAromatic
C8N1sing1.39Å1.36ÅAromatic
C8C9doub1.39Å1.50ÅAromatic
N1C6sing1.34Å1.40ÅAromatic
C11C10doub1.38Å1.42ÅAromatic
C6C7sing1.51Å1.54Å
C6C5doub1.38Å1.44ÅAromatic
C9C10sing1.40Å1.38ÅAromatic
C9C5sing1.47Å1.47ÅAromatic
C5C4sing1.47Å1.54Å
C22C23doub1.39Å1.29ÅAromatic
C22C21sing1.39Å1.51ÅAromatic
C23C24sing1.36Å1.52ÅAromatic
C4C21sing1.47Å1.53Å
C4O1doub1.22Å1.19Å
C21C26doub1.46Å1.33ÅAromatic
C24C25doub1.40Å1.33ÅAromatic
C26C25sing1.42Å1.47ÅAromatic
C26C27sing1.40Å1.49ÅAromatic
C25C3sing1.41Å1.49ÅAromatic
C27C1doub1.36Å1.35ÅAromatic
C3C2doub1.36Å1.35ÅAromatic
C1C2sing1.39Å1.60ÅAromatic
C1H1sing1.08Å1.08Å
C10H2sing1.08Å1.08Å
C11H3sing1.08Å1.08Å
C12H4sing1.08Å1.08Å
C14H5sing1.09Å1.10Å
C14H6sing1.09Å1.10Å
C15H7sing1.09Å1.10Å
C16H8sing1.09Å1.10Å
C16H9sing1.09Å1.10Å
C17H10sing1.09Å1.10Å
C17H11sing1.09Å1.10Å
C18H12sing1.09Å1.10Å
C18H13sing1.09Å1.10Å
C19H14sing1.09Å1.10Å
C19H15sing1.09Å1.10Å
C2H16sing1.08Å1.08Å
C20H17sing1.09Å1.10Å
C20H18sing1.09Å1.10Å
C22H19sing1.08Å1.08Å
C23H20sing1.08Å1.08Å
C24H21sing1.08Å1.08Å
C27H22sing1.08Å1.08Å
C3H23sing1.08Å1.08Å
C7H24sing1.09Å1.10Å
C7H25sing1.09Å1.10Å
C7H26sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O3C18C17110.6°109.3°
C18O3C19113.9°113.8°
O3C18H12109.2°109.5°
O3C18H13109.2°109.5°
C18C17N2113.9°109.3°
C18C17H10108.3°109.5°
C18C17H11108.3°109.6°
C17C18H12109.2°109.5°
C17C18H13109.2°109.5°
O2C14C15114.9°112.9°
C14O2C13117.7°116.7°
O2C14H5108.1°108.8°
O2C14H6108.1°108.8°
C14C15C16110.7°109.8°
C14C15N1112.3°107.9°
C15C14H5108.1°108.8°
C15C14H6108.1°108.8°
C14C15H7106.5°109.8°
O2C13C12124.2°127.3°
O2C13C8119.3°114.5°
O3C19C20114.0°109.3°
O3C19H14108.3°109.5°
O3C19H15108.4°109.5°
C17N2C20115.7°110.7°
C17N2C16114.4°111.0°
N2C17H10108.4°109.5°
N2C17H11108.4°109.5°
C19C20N2117.1°109.3°
C20C19H14108.3°109.5°
C20C19H15108.3°109.5°
C19C20H17107.6°109.5°
C19C20H18107.5°109.5°
C16C15N1113.0°109.8°
C15C16N2115.0°109.4°
C16C15H7106.6°109.8°
C15C16H8108.1°109.5°
C15C16H9108.1°109.5°
C15N1C8117.6°117.6°
C15N1C6130.2°133.6°
N1C15H7107.4°109.8°
C20N2C16114.6°111.0°
N2C20H17107.5°109.5°
N2C20H18107.5°109.5°
N2C16H8108.1°109.5°
N2C16H9108.1°109.5°
C12C13C8116.5°118.1°
C13C12C11119.2°119.4°
C13C12H4120.4°120.3°
C13C8N1128.0°126.9°
C13C8C9124.4°123.4°
C12C11C10122.5°122.1°
C12C11H3118.8°118.9°
C11C12H4120.4°120.3°
N1C8C9107.6°109.7°
C8N1C6112.2°108.8°
C8C9C10120.8°117.6°
C8C9C5104.8°104.5°
N1C6C7125.0°124.9°
N1C6C5107.9°110.1°
C11C10C9116.7°119.4°
C11C10H2121.7°120.3°
C10C11H3118.8°118.9°
C7C6C5127.1°125.0°
C6C7H24109.5°109.4°
C6C7H25109.5°109.5°
C6C7H26109.5°109.5°
C6C5C9107.7°106.9°
C6C5C4129.8°126.5°
C10C9C5134.5°137.9°
C9C10H2121.7°120.3°
C9C5C4122.6°126.6°
C5C4C21123.8°120.0°
C5C4O1118.6°120.0°
C23C22C21120.1°120.6°
C22C23C24120.1°121.8°
C23C22H19120.0°119.7°
C22C23H20120.0°119.1°
C22C21C4120.3°120.7°
C22C21C26119.6°118.6°
C21C22H19119.9°119.7°
C23C24C25119.6°120.6°
C24C23H20119.9°119.1°
C23C24H21120.2°119.6°
C21C4O1117.5°120.0°
C4C21C26120.1°120.7°
C21C26C25120.2°118.9°
C21C26C27120.1°121.5°
C24C25C26120.4°119.5°
C24C25C3119.6°121.3°
C25C24H21120.2°119.7°
C25C26C27119.6°119.6°
C26C25C3120.0°119.2°
C26C27C1120.1°119.6°
C26C27H22120.0°120.1°
C25C3C2120.2°119.6°
C25C3H23119.9°120.2°
C27C1C2120.1°120.9°
C27C1H1119.9°119.5°
C1C27H22119.9°120.3°
C3C2C1119.9°121.0°
C3C2H16120.1°119.5°
C2C3H23119.9°120.2°
C2C1H1120.0°119.6°
C1C2H16120.0°119.5°
H5C14H6109.5°108.6°
H8C16H9109.5°109.5°
H10C17H11109.5°109.5°
H12C18H13109.5°109.5°
H14C19H15109.5°109.5°
H17C20H18109.5°109.5°
H24C7H25109.4°109.4°
H24C7H26109.4°109.5°
H25C7H26109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O3C18C17H12120.2°120.0°
O3C18C17H13120.2°119.9°
O3C18C17N254.4°56.8°
C18O3C19C2041.7°58.6°
O3C18C17H10175.1°176.7°
O3C18C17H1166.3°63.1°
O3C18H12H13119.5°120.0°
C18O3C19H14162.4°61.3°
C18O3C19H1579.0°178.6°
C17C18O3C1950.7°58.6°
C18C17N2H10120.6°119.9°
C18C17N2H11120.7°120.0°
C18C17N2C2049.0°58.6°
C18C17N2C16174.6°177.6°
C18C17H10H11117.9°120.2°
C17C18H12H13119.4°120.1°
O2C14C15H5120.8°120.9°
O2C14C15H6120.8°120.9°
O2C14C15C1692.6°170.2°
O2C14C15N134.7°50.6°
C14O2C13C12161.5°151.7°
C14O2C13C819.3°28.3°
O2C14H5H6117.5°118.3°
O2C14C15H7151.9°69.1°
C15C14O2C1335.9°55.5°
C14C15C16N1126.9°118.5°
C14C15C16H7115.4°120.7°
C14C15N1H7116.7°119.6°
C14C15C16N242.5°51.3°
C14C15N1C818.2°24.3°
C14C15N1C6163.4°155.7°
C15C14H5H6117.5°118.4°
C14C15C16H878.3°171.3°
C14C15C16H9163.3°68.7°
O2C13C12C8179.2°180.0°
O2C13C12C11179.7°179.9°
O2C13C8N11.1°0.1°
O2C13C8C9179.9°179.8°
O2C13C12H40.3°0.0°
C13O2C14H584.9°65.5°
C13O2C14H6156.7°176.4°
O3C19C20H14120.7°119.9°
O3C19C20H15120.7°120.0°
O3C19C20N235.3°56.8°
C19O3C18H1269.5°178.6°
C19O3C18H13170.8°61.3°
O3C19H14H15118.0°120.1°
O3C19C20H1785.8°63.1°
O3C19C20H18156.4°176.8°
C17N2C20C1939.4°58.6°
C17N2C16C1595.6°163.3°
C17N2C20C16136.3°123.8°
C17N2C16H8143.7°76.7°
C17N2C16H925.2°43.4°
N2C17H10H11118.0°120.0°
N2C17C18H1265.8°176.8°
N2C17C18H13174.6°63.1°
C17N2C20H1781.7°61.3°
C17N2C20H18160.5°178.6°
C19C20N2H17121.1°119.9°
C19C20N2H18121.1°120.0°
C19C20N2C16175.7°177.6°
C20C19H14H15117.9°120.1°
C19C20H17H18116.5°120.1°
C16C15N1H7117.2°120.7°
C15C16N2C20127.5°73.1°
C15C16N2H8120.8°120.0°
C15C16N2H9120.8°119.9°
C16C15N1C8107.9°144.0°
C16C15N1C670.5°36.0°
C16C15C14H5146.5°49.3°
C16C15C14H628.2°68.9°
C15C16H8H9117.5°120.0°
N1C15C16N2169.4°67.2°
C15N1C8C131.8°0.0°
C15N1C8C6178.7°180.0°
C15N1C8C9179.1°179.7°
C15N1C6C71.9°0.2°
C15N1C6C5178.9°179.8°
N1C15C14H586.2°70.3°
N1C15C14H6155.5°171.4°
N1C15C16H848.6°52.8°
N1C15C16H969.8°172.8°
C20N2C16H86.7°46.9°
C20N2C16H9111.7°167.0°
C20N2C17H10169.6°178.5°
C20N2C17H1171.7°61.4°
N2C20C19H14155.9°63.1°
N2C20C19H1585.4°176.8°
N2C20H17H18116.5°120.1°
N2C16C15H772.9°172.0°
N2C16H8H9117.5°120.0°
C16N2C17H1054.0°57.7°
C16N2C17H1164.7°62.3°
C16N2C20H1754.6°62.4°
C16N2C20H1863.2°57.7°
C13C12C11H4180.0°180.0°
C12C13C8N1179.6°179.9°
C12C13C8C90.7°0.2°
C13C12C11C100.2°0.0°
C13C12C11H3179.8°179.9°
C8C13C12C110.5°0.1°
C13C8N1C9179.1°179.7°
C13C8N1C6179.6°180.0°
C13C8C9C100.1°0.4°
C13C8C9C5179.4°180.0°
C8C13C12H4179.5°180.0°
C12C11C10H3180.0°179.9°
C12C11C10C90.8°0.3°
C12C11C10H2179.2°180.0°
C8N1C6C7179.7°179.8°
C8N1C6C50.5°0.2°
N1C8C9C10179.2°179.8°
N1C8C9C50.3°0.2°
C8N1C15H7134.9°95.3°
C9C8N1C60.5°0.3°
C8C9C10C110.7°0.5°
C8C9C5C60.0°0.1°
C8C9C10C5179.3°179.3°
C8C9C5C4180.0°179.8°
C8C9C10H2179.3°179.8°
N1C6C7C5179.0°180.0°
N1C6C5C90.3°0.0°
N1C6C5C4179.8°180.0°
C6N1C15H746.7°84.7°
N1C6C7H2490.5°80.8°
N1C6C7H25149.5°39.1°
N1C6C7H2629.5°159.2°
C11C10C9H2180.0°179.7°
C11C10C9C5180.0°179.8°
C10C11C12H4179.8°180.0°
C7C6C5C9179.4°180.0°
C7C6C5C40.6°0.0°
C6C7H24H25120.0°119.9°
C6C7H24H26120.0°120.0°
C6C7H25H26120.0°120.0°
C6C5C9C10179.4°179.5°
C6C5C9C4180.0°180.0°
C6C5C4C2133.5°95.0°
C6C5C4O1146.5°85.1°
C5C6C7H2490.5°99.2°
C5C6C7H2529.5°140.8°
C5C6C7H26149.5°20.8°
C10C9C5C40.6°0.4°
C9C10C11H3179.2°179.8°
C9C5C4C21146.5°85.0°
C9C5C4O133.5°94.9°
C5C9C10H20.0°0.5°
C5C4C21C2278.2°5.7°
C5C4C21O1180.0°179.9°
C5C4C21C2698.5°174.3°
C23C22C21H19180.0°179.9°
C22C23C24H20180.0°179.9°
C23C22C21C4177.4°179.9°
C23C22C21C260.7°0.1°
C22C23C24C251.5°0.0°
C22C23C24H21178.5°179.9°
C21C22C23C240.2°0.1°
C22C21C4C26176.7°180.0°
C22C21C4O1101.8°174.4°
C22C21C26C250.3°0.1°
C22C21C26C27178.8°179.8°
C21C22C23H20179.8°180.0°
C23C24C25H21180.0°179.9°
C23C24C25C261.9°0.0°
C23C24C25C3179.3°179.4°
C24C23C22H19179.8°180.0°
C4C21C26C25177.1°180.0°
C4C21C26C274.4°0.3°
C4C21C22H192.6°0.0°
O1C4C21C2681.5°5.6°
C21C26C25C241.0°0.0°
C21C26C25C27178.5°179.7°
C21C26C25C3178.4°179.5°
C21C26C27C1179.8°179.8°
C26C21C22H19179.3°180.0°
C21C26C27H220.2°0.2°
C24C25C26C3177.5°179.5°
C24C25C26C27177.5°179.7°
C24C25C3C2177.5°180.0°
C25C24C23H20178.5°179.9°
C24C25C3H232.5°0.6°
C25C26C27C11.3°0.5°
C26C25C3C20.0°0.6°
C26C25C24H21178.2°180.0°
C25C26C27H22178.7°179.5°
C26C25C3H23179.9°180.0°
C27C26C25C30.1°0.8°
C26C27C1H22180.0°180.0°
C26C27C1C22.5°0.0°
C26C27C1H1177.5°179.7°
C25C3C2H23180.0°179.4°
C25C3C2C11.2°0.0°
C25C3C2H16178.8°180.0°
C3C25C24H210.7°0.5°
C27C1C2C32.5°0.3°
C27C1C2H1180.0°179.7°
C27C1C2H16177.5°179.7°
C3C2C1H16180.0°180.0°
C3C2C1H1177.5°180.0°
C2C1C27H22177.5°180.0°
C1C2C3H23178.9°179.4°
H1C1C2H162.5°0.1°
H1C1C27H222.5°0.3°
H2C10C11H30.8°0.1°
H3C11C12H40.2°0.0°
H5C14C15H731.1°170.1°
H6C14C15H787.3°51.8°
H7C15C16H8166.3°68.0°
H7C15C16H947.9°52.1°
H10C17C18H1254.9°63.3°
H10C17C18H1364.8°56.8°
H11C17C18H12173.5°56.8°
H11C17C18H1353.9°177.0°
H14C19C20H1734.8°177.0°
H14C19C20H1883.0°56.9°
H15C19C20H17153.5°56.9°
H15C19C20H1835.7°63.2°
H16C2C3H231.1°0.6°
H19C22C23H200.2°0.1°
H20C23C24H211.5°0.0°
H24C7H25H26119.9°120.0°

222415

PDB entries from 2024-07-10

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