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OB3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O01C02sing1.36Å1.36Å
C03C02doub1.39Å1.35ÅAromatic
C03C04sing1.38Å1.35ÅAromatic
C02C01sing1.39Å1.35ÅAromatic
C15C16doub1.38Å1.35ÅAromatic
C15C14sing1.39Å1.35ÅAromatic
C04C05doub1.40Å1.35ÅAromatic
C16C10sing1.40Å1.35ÅAromatic
O02C14sing1.36Å1.36Å
C01C06doub1.38Å1.35ÅAromatic
C14C13doub1.39Å1.34ÅAromatic
C05C06sing1.40Å1.35ÅAromatic
C05C07sing1.47Å1.36Å
C24C23doub1.38Å1.34ÅAromatic
C24C25sing1.38Å1.33ÅAromatic
C10C08sing1.47Å1.35Å
C10C12doub1.40Å1.35ÅAromatic
C07C08doub1.36Å1.36Å
C07C11sing1.53Å1.53Å
C23C22sing1.38Å1.34ÅAromatic
C08C09sing1.53Å1.53Å
C13C12sing1.38Å1.34ÅAromatic
O03C11sing1.46Å1.41Å
O03C09sing1.47Å1.41Å
C25C19doub1.39Å1.36ÅAromatic
C11C17sing1.56Å1.54Å
C09C18sing1.56Å1.53Å
C22C21doub1.38Å1.35ÅAromatic
C19C21sing1.39Å1.36ÅAromatic
C19N01sing1.40Å1.29Å
C17C18sing1.56Å1.55Å
C17S01sing1.81Å1.86Å
C21CL1sing1.74Å1.73Å
N01C20sing1.47Å1.49Å
N01S01sing1.66Å1.70Å
O04S01doub1.42Å1.46Å
S01O05doub1.42Å1.46Å
C01H1sing1.08Å1.08Å
C03H2sing1.08Å1.08Å
C04H3sing1.08Å1.08Å
C06H4sing1.08Å1.08Å
O01H5sing0.97Å0.95Å
C09H6sing1.09Å1.10Å
C11H7sing1.09Å1.10Å
C12H8sing1.08Å1.08Å
C13H9sing1.08Å1.08Å
C15H10sing1.08Å1.08Å
C16H11sing1.08Å1.08Å
O02H12sing0.97Å0.95Å
C17H13sing1.09Å1.10Å
C18H14sing1.09Å1.10Å
C18H15sing1.09Å1.10Å
C20H16sing1.09Å1.10Å
C20H17sing1.09Å1.10Å
C20H18sing1.09Å1.10Å
C22H19sing1.08Å1.08Å
C23H20sing1.08Å1.08Å
C24H21sing1.08Å1.08Å
C25H22sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O01C02C03121.0°119.9°
O01C02C01121.9°119.9°
C02O01H5109.5°113.9°
C02C03C04121.3°120.1°
C03C02C01117.1°120.2°
C02C03H2119.4°120.0°
C03C04C05122.5°119.9°
C04C03H2119.4°120.0°
C03C04H3118.8°120.0°
C02C01C06121.2°120.1°
C02C01H1119.4°120.0°
C16C15C14121.8°120.1°
C15C16C10121.6°119.9°
C16C15H10119.1°120.0°
C15C16H11119.2°120.1°
C15C14O02121.3°119.9°
C15C14C13117.0°120.2°
C14C15H10119.1°120.0°
C04C05C06115.5°119.8°
C04C05C07121.0°120.1°
C05C04H3118.8°120.1°
C16C10C08121.8°120.1°
C16C10C12115.9°119.8°
C10C16H11119.2°120.0°
O02C14C13121.8°119.9°
C14O02H12109.5°114.0°
C01C06C05122.5°119.9°
C06C01H1119.4°120.0°
C01C06H4118.8°120.0°
C14C13C12121.1°120.1°
C14C13H9119.4°120.0°
C06C05C07123.5°120.1°
C05C06H4118.8°120.1°
C05C07C08135.7°127.0°
C05C07C11120.7°127.1°
C23C24C25120.3°120.1°
C24C23C22118.3°120.2°
C24C23H20120.8°119.9°
C23C24H21119.9°120.0°
C24C25C19123.4°119.9°
C25C24H21119.9°120.0°
C24C25H22118.3°120.0°
C08C10C12122.3°120.1°
C10C08C07136.1°127.1°
C10C08C09119.7°127.0°
C10C12C13122.6°119.9°
C10C12H8118.7°120.1°
C08C07C11103.6°106.0°
C07C08C09104.2°105.9°
C07C11O03103.6°100.8°
C07C11C17105.4°105.2°
C07C11H7114.1°115.6°
C23C22C21121.2°120.0°
C23C22H19119.4°120.0°
C22C23H20120.9°119.9°
C08C09O03103.1°100.7°
C08C09C18109.0°105.1°
C08C09H6113.6°115.6°
C13C12H8118.7°120.1°
C12C13H9119.4°119.9°
C11O03C0996.1°97.2°
O03C11C17102.0°101.0°
O03C11H7116.3°116.5°
O03C09C18100.7°101.1°
O03C09H6115.7°116.6°
C25C19C21115.1°119.9°
C25C19N01113.3°120.1°
C19C25H22118.3°120.1°
C11C17C18100.7°101.9°
C11C17S01112.9°110.9°
C17C11H7114.0°115.6°
C11C17H13109.6°111.0°
C09C18C1799.7°101.8°
C18C09H6113.5°115.6°
C09C18H14111.9°110.9°
C09C18H15111.9°110.9°
C22C21C19121.7°119.9°
C22C21CL1112.2°120.0°
C21C22H19119.4°119.9°
C21C19N01131.6°120.1°
C19C21CL1126.2°120.1°
C19N01C20119.0°120.0°
C19N01S01125.7°120.0°
C18C17S01117.8°111.0°
C18C17H13109.5°110.8°
C17C18H14111.8°111.2°
C17C18H15111.9°110.8°
C17S01N01105.9°104.5°
C17S01O0494.2°110.6°
C17S01O0593.8°110.5°
S01C17H13106.1°110.9°
C20N01S01115.3°120.0°
N01C20H16109.5°109.5°
N01C20H17109.5°109.5°
N01C20H18109.5°109.5°
N01S01O04117.9°104.3°
N01S01O05116.2°104.2°
O04S01O05120.3°121.0°
H14C18H15109.5°110.9°
H16C20H17109.4°109.4°
H16C20H18109.5°109.5°
H17C20H18109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O01C02C03C01179.6°179.9°
O01C02C03C04179.7°180.0°
O01C02C01C06179.8°180.0°
O01C02C01H10.1°0.3°
O01C02C03H20.3°0.0°
C02C03C04H2180.0°180.0°
C02C03C04C050.7°0.0°
C03C02C01C060.5°0.1°
C03C02C01H1179.5°179.7°
C02C03C04H3179.3°180.0°
C03C02O01H5180.0°90.0°
C04C03C02C010.1°0.0°
C03C04C05H3180.0°180.0°
C03C04C05C061.1°0.0°
C03C04C05C07179.8°180.0°
C02C01C06H1180.0°179.7°
C02C01C06C050.1°0.1°
C01C02C03H2179.9°179.9°
C02C01C06H4179.9°179.7°
C01C02O01H50.4°90.1°
C16C15C14H10180.0°179.5°
C15C16C10H11180.0°179.5°
C16C15C14O02180.0°179.8°
C16C15C14C130.3°0.3°
C15C16C10C08178.9°179.7°
C15C16C10C120.8°0.5°
C14C15C16C100.6°0.5°
C15C14O02C13179.7°179.9°
C15C14C13C120.3°0.0°
C15C14C13H9179.7°179.9°
C14C15C16H11179.4°180.0°
C15C14O02H12180.0°90.0°
C04C05C06C010.7°0.0°
C04C05C06C07178.7°179.9°
C04C05C07C08131.1°65.0°
C04C05C07C1149.4°115.2°
C05C04C03H2179.3°180.0°
C04C05C06H4179.4°179.8°
C16C10C08C12177.9°179.8°
C16C10C08C0736.0°115.2°
C16C10C08C09143.2°64.7°
C16C10C12C130.9°0.2°
C16C10C12H8179.1°179.8°
C10C16C15H10179.4°180.0°
O02C14C13C12180.0°180.0°
O02C14C13H90.0°0.0°
O02C14C15H100.0°0.3°
C01C06C05H4180.0°179.8°
C01C06C05C07179.4°179.9°
C14C13C12C100.7°0.0°
C14C13C12H9180.0°180.0°
C14C13C12H8179.3°180.0°
C13C14C15H10179.7°179.8°
C13C14O02H120.3°90.0°
C06C05C07C0850.2°115.0°
C06C05C07C11129.3°64.7°
C05C06C01H1179.9°179.7°
C06C05C04H3179.0°179.9°
C05C07C08C101.4°0.1°
C05C07C08C11179.5°179.8°
C05C07C08C09179.4°180.0°
C05C07C11O03148.3°147.9°
C05C07C11C17105.0°107.4°
C07C05C04H30.2°0.0°
C07C05C06H40.6°0.3°
C05C07C11H720.8°21.4°
C23C24C25H21180.0°179.8°
C24C23C22H20180.0°180.0°
C23C24C25C190.1°0.5°
C24C23C22C210.1°0.0°
C24C23C22H19179.9°180.0°
C23C24C25H22179.9°180.0°
C25C24C23C220.0°0.2°
C24C25C19H22180.0°179.5°
C24C25C19C210.0°0.5°
C24C25C19N01179.2°179.7°
C25C24C23H20180.0°179.7°
C10C08C07C09179.3°179.9°
C10C08C07C11179.1°179.8°
C08C10C12C13178.9°180.0°
C10C08C09O03147.1°147.9°
C10C08C09C18106.5°107.4°
C10C08C09H621.1°21.4°
C08C10C12H81.0°0.0°
C08C10C16H111.1°0.2°
C12C10C08C07146.1°65.0°
C12C10C08C0934.7°115.0°
C10C12C13H8180.0°180.0°
C10C12C13H9179.3°180.0°
C12C10C16H11179.2°180.0°
C08C07C11O0332.1°31.9°
C07C08C09O0332.3°32.2°
C08C07C11C1774.7°72.8°
C07C08C09C1874.0°72.5°
C07C08C09H6158.3°158.7°
C08C07C11H7159.5°158.4°
C11C07C08C090.2°0.2°
C07C11O03C17109.3°107.9°
C07C11O03H7126.0°126.0°
C07C11O03C0950.8°50.4°
C07C11C17H7125.9°128.8°
C07C11C17C1875.9°69.5°
C07C11C17S01157.6°172.2°
C07C11C17H1339.5°48.5°
C23C22C21H19180.0°180.0°
C23C22C21C190.2°0.0°
C23C22C21CL1180.0°180.0°
C22C23C24H21179.9°179.9°
C08C09O03C1150.7°50.4°
C08C09O03C18112.6°107.9°
C08C09O03H6124.7°125.9°
C08C09C18H6127.7°128.8°
C08C09C18C1767.8°69.8°
C08C09C18H1450.5°48.6°
C08C09C18H15173.8°172.2°
O03C11C17H7126.2°126.7°
C11O03C09C1861.9°57.5°
O03C11C17C1832.0°35.0°
O03C11C17S0194.6°83.3°
C11O03C09H6175.3°176.3°
O03C11C17H13147.4°153.0°
C09O03C11C1758.5°57.6°
O03C09C18H6124.3°126.8°
O03C09C18C1740.2°34.5°
C09O03C11H7176.8°176.3°
O03C09C18H14158.5°152.9°
O03C09C18H1578.2°83.4°
C25C19C21C220.1°0.2°
C25C19C21N01179.0°179.8°
C25C19C21CL1179.9°179.8°
C25C19N01C2064.7°84.8°
C25C19N01S01114.3°95.3°
C19C25C24H21179.9°179.7°
C11C17C18C094.7°0.3°
C11C17C18S01123.2°118.2°
C11C17C18H13115.4°118.1°
C11C17S01H13120.1°123.8°
C11C17S01N0159.7°175.0°
C11C17S01O0460.9°63.3°
C11C17S01O05178.3°73.4°
C11C17C18H14123.1°117.9°
C11C17C18H15113.7°118.2°
C09C18C17H14118.4°118.2°
C09C18C17H15118.4°118.0°
C09C18C17S01127.9°118.0°
C09C18C17H13110.7°118.4°
C09C18H14H15124.6°123.7°
C22C21C19CL1179.8°180.0°
C22C21C19N01179.2°180.0°
C21C22C23H20179.9°180.0°
C21C19N01C20114.3°95.0°
C21C19N01S0166.6°85.0°
C19C21C22H19179.8°180.0°
C21C19C25H22180.0°180.0°
C19N01S01C17110.5°89.9°
N01C19C21CL11.0°0.0°
C19N01C20S01179.1°180.0°
C19N01S01O046.7°153.9°
C19N01S01O05147.0°26.1°
C19N01C20H16180.0°90.0°
C19N01C20H1760.0°30.0°
C19N01C20H1860.0°150.0°
N01C19C25H220.8°0.2°
C18C17S01H13123.1°123.6°
C18C17S01N01176.5°62.4°
C18C17S01O0455.9°49.3°
C18C17S01O0564.9°174.0°
C17C18C09H6164.5°161.4°
C18C17C11H7158.2°161.7°
C17C18H14H15124.6°123.8°
C17S01N01C2068.6°90.0°
C17S01N01O04103.7°116.1°
C17S01N01O05102.5°116.0°
C17S01O04O0596.9°131.5°
S01C17C11H731.7°43.4°
S01C17C18H14113.7°123.9°
S01C17C18H159.5°0.0°
CL1C21C22H190.0°0.0°
C20N01S01O04172.3°26.1°
C20N01S01O0533.9°153.9°
N01C20H16H17120.0°120.0°
N01C20H16H18120.0°120.1°
N01C20H17H18120.0°120.0°
N01S01O04O05152.6°116.7°
N01S01C17H1360.4°61.2°
S01N01C20H160.9°90.0°
S01N01C20H17120.9°150.0°
S01N01C20H18119.2°30.0°
O04S01C17H13179.0°172.9°
O05S01C17H1358.2°50.4°
H1C01C06H40.1°0.0°
H2C03C04H30.7°0.0°
H6C09C18H1477.2°80.2°
H6C09C18H1546.1°43.4°
H7C11C17H1386.4°80.3°
H8C12C13H90.7°0.0°
H10C15C16H110.6°0.5°
H13C17C18H147.7°0.2°
H13C17C18H15130.9°123.6°
H16C20H17H18120.0°120.0°
H19C22C23H200.1°0.0°
H20C23C24H210.0°0.1°
H21C24C25H220.1°0.2°

224931

PDB entries from 2024-09-11

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