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SummaryGeometryRelated PDB entries

OBB

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
BR1C21sing1.89Å1.89Å
C21C20doub1.38Å1.34ÅAromatic
C21C22sing1.38Å1.34ÅAromatic
C20C19sing1.39Å1.34ÅAromatic
C22C23doub1.38Å1.34ÅAromatic
C19O04sing1.36Å1.37Å
C19C24doub1.39Å1.35ÅAromatic
O04S01sing1.52Å1.66Å
O06S01doub1.42Å1.46Å
S01O05doub1.42Å1.46Å
S01C18sing1.81Å1.87Å
C23C24sing1.38Å1.34ÅAromatic
C18C17sing1.57Å1.55Å
C18C09sing1.56Å1.54Å
C17C16sing1.56Å1.54Å
C09O03sing1.47Å1.41Å
C09C08sing1.53Å1.53Å
O03C16sing1.47Å1.41Å
C15C14doub1.38Å1.34ÅAromatic
C15C10sing1.40Å1.35ÅAromatic
C16C07sing1.53Å1.53Å
C14C13sing1.39Å1.34ÅAromatic
C08C10sing1.47Å1.35Å
C08C07doub1.36Å1.36Å
C10C11doub1.40Å1.35ÅAromatic
C13O02sing1.36Å1.36Å
C13C12doub1.39Å1.35ÅAromatic
C11C12sing1.38Å1.35ÅAromatic
C07C04sing1.47Å1.36Å
C04C05doub1.40Å1.36ÅAromatic
C04C03sing1.40Å1.35ÅAromatic
C05C06sing1.38Å1.35ÅAromatic
C03C02doub1.38Å1.35ÅAromatic
C06C01doub1.39Å1.34ÅAromatic
C02C01sing1.39Å1.35ÅAromatic
C01O01sing1.36Å1.36Å
C02H1sing1.08Å1.08Å
C03H2sing1.08Å1.08Å
C05H3sing1.08Å1.08Å
C06H4sing1.08Å1.08Å
O01H5sing0.97Å0.95Å
C09H6sing1.09Å1.10Å
C11H7sing1.08Å1.08Å
C12H8sing1.08Å1.08Å
C14H9sing1.08Å1.08Å
C15H10sing1.08Å1.08Å
O02H11sing0.97Å0.95Å
C16H12sing1.09Å1.10Å
C17H13sing1.09Å1.10Å
C17H14sing1.09Å1.10Å
C18H15sing1.09Å1.10Å
C20H16sing1.08Å1.08Å
C22H17sing1.08Å1.08Å
C23H18sing1.08Å1.08Å
C24H19sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
BR1C21C20119.3°120.0°
BR1C21C22120.1°120.0°
C20C21C22120.5°120.0°
C21C20C19121.6°120.0°
C21C20H16119.2°120.0°
C21C22C23118.9°120.1°
C21C22H17120.6°120.0°
C20C19O04121.6°120.1°
C20C19C24117.1°119.8°
C19C20H16119.2°120.0°
C22C23C24120.0°120.1°
C23C22H17120.5°119.9°
C22C23H18120.0°120.0°
O04C19C24121.3°120.1°
C19O04S01114.9°114.0°
C19C24C23121.9°120.0°
C19C24H19119.0°120.0°
O04S01O06116.2°104.3°
O04S01O05119.2°104.3°
O04S01C1896.1°104.4°
O06S01O05120.7°121.0°
O06S01C1896.4°110.5°
O05S01C1897.0°110.5°
S01C18C17116.4°110.9°
S01C18C09114.6°111.5°
S01C18H15106.2°110.8°
C24C23H18120.0°119.9°
C23C24H19119.1°120.0°
C17C18C09100.0°102.1°
C18C17C16100.2°101.2°
C18C17H13111.7°111.9°
C18C17H14111.8°110.7°
C17C18H15109.7°110.9°
C18C09O03102.9°101.1°
C18C09C08105.9°105.3°
C18C09H6113.7°116.2°
C09C18H15109.8°110.2°
C17C16O03101.4°101.9°
C17C16C07107.4°105.2°
C17C16H12113.7°115.6°
C16C17H13111.7°110.9°
C16C17H14111.7°111.0°
O03C09C08103.1°100.7°
C09O03C1695.8°96.8°
O03C09H6116.1°115.9°
C09C08C10120.0°127.0°
C09C08C07104.1°105.9°
C08C09H6113.9°115.5°
O03C16C07103.4°100.5°
O03C16H12115.9°116.0°
C14C15C10122.3°119.9°
C15C14C13121.3°120.1°
C15C14H9119.4°120.0°
C14C15H10118.8°120.0°
C15C10C08122.1°120.1°
C15C10C11116.1°119.8°
C10C15H10118.9°120.1°
C16C07C08103.6°106.0°
C16C07C04122.7°127.0°
C07C16H12113.7°115.6°
C14C13O02120.8°119.9°
C14C13C12117.2°120.2°
C13C14H9119.3°120.0°
C10C08C07135.8°127.1°
C08C10C11121.8°120.1°
C08C07C04133.7°127.0°
C10C11C12121.8°119.9°
C10C11H7119.1°120.0°
O02C13C12122.0°119.9°
C13O02H11109.5°114.0°
C13C12C11121.3°120.1°
C13C12H8119.4°119.9°
C12C11H7119.1°120.1°
C11C12H8119.3°119.9°
C07C04C05121.5°120.1°
C07C04C03123.2°120.1°
C05C04C03115.3°119.8°
C04C05C06122.7°119.9°
C04C05H3118.7°120.1°
C04C03C02122.4°119.9°
C04C03H2118.8°120.1°
C05C06C01121.2°120.1°
C06C05H3118.6°120.1°
C05C06H4119.4°120.0°
C03C02C01121.5°120.1°
C03C02H1119.3°120.0°
C02C03H2118.8°120.0°
C06C01C02116.9°120.2°
C06C01O01121.2°119.9°
C01C06H4119.4°119.9°
C02C01O01121.9°119.9°
C01C02H1119.2°119.9°
C01O01H5109.5°114.0°
H13C17H14109.5°110.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
BR1C21C20C22179.9°180.0°
BR1C21C20C19179.9°180.0°
BR1C21C22C23179.9°180.0°
BR1C21C20H160.1°0.0°
BR1C21C22H170.1°0.0°
C21C20C19H16180.0°180.0°
C20C21C22C230.1°0.1°
C21C20C19O04179.8°180.0°
C21C20C19C240.3°0.3°
C20C21C22H17179.9°180.0°
C22C21C20C190.2°0.0°
C21C22C23H17180.0°179.9°
C21C22C23C240.1°0.3°
C22C21C20H16179.7°180.0°
C21C22C23H18180.0°180.0°
C20C19O04C24179.5°179.7°
C20C19O04S0160.3°89.0°
C20C19C24C230.2°0.5°
C20C19C24H19179.8°179.8°
C22C23C24C190.0°0.6°
C22C23C24H18180.0°179.7°
C22C23C24H19180.0°179.7°
C19O04S01O06156.3°41.5°
C19O04S01O051.8°169.4°
C19O04S01C18103.4°74.6°
O04C19C24C23179.7°179.7°
O04C19C20H160.2°0.0°
O04C19C24H190.3°0.0°
C24C19O04S01120.2°90.7°
C19C24C23H19180.0°179.7°
C24C19C20H16179.7°179.8°
C19C24C23H18180.0°179.7°
O04S01O06O05157.8°116.8°
O04S01O06C18100.1°111.7°
O04S01O05C18101.0°111.7°
O04S01C18C17165.7°59.1°
O04S01C18C0978.1°172.3°
O04S01C18H1543.3°64.6°
O06S01O05C18101.8°131.5°
O06S01C18C1748.4°170.8°
O06S01C18C09164.6°76.1°
O06S01C18H1574.0°47.1°
O05S01C18C1773.8°52.5°
O05S01C18C0942.4°60.6°
O05S01C18H15163.8°176.2°
S01C18C17C09124.0°119.0°
S01C18C17H15120.6°123.6°
S01C18C09H15119.4°123.5°
S01C18C17C16127.4°118.2°
S01C18C09O0392.2°83.1°
S01C18C09C08159.9°172.4°
S01C18C09H634.2°43.3°
S01C18C17H138.9°123.6°
S01C18C17H14114.1°0.5°
C24C23C22H17180.0°179.7°
C17C18C09H15115.3°117.9°
C18C17C16H13118.5°118.9°
C18C17C16H14118.5°117.5°
C17C18C09O0333.1°35.4°
C17C18C09C0874.8°69.0°
C18C17C16O0338.8°34.1°
C18C17C16C0769.3°70.4°
C17C18C09H6159.5°161.8°
C18C17C16H12163.9°160.8°
C18C17H13H14124.3°124.1°
C09C18C17C163.4°0.8°
C18C09O03C08110.0°108.1°
C18C09O03H6124.8°126.6°
C18C09C08H6125.6°129.6°
C18C09O03C1658.5°57.3°
C18C09C08C10103.5°107.4°
C18C09C08C0774.1°72.6°
C09C18C17H13115.1°117.4°
C09C18C17H14121.8°118.5°
C17C16O03C0960.5°57.2°
C17C16O03C07111.2°108.1°
C17C16O03H12123.6°126.5°
C17C16C07H12126.7°128.8°
C17C16C07C0875.3°73.0°
C17C16C07C04105.8°106.7°
C16C17H13H14124.3°123.7°
C16C17C18H15112.0°118.2°
O03C09C08H6126.6°125.6°
C09O03C16C0750.8°50.9°
O03C09C08C10148.7°147.8°
O03C09C08C0733.6°32.2°
C09O03C16H12175.9°176.3°
O03C09C18H15148.4°153.4°
C08C09O03C1651.5°50.8°
C09C08C10C1546.4°64.8°
C09C08C07C161.2°0.3°
C09C08C10C07176.7°180.0°
C09C08C10C11131.2°115.0°
C09C08C07C04180.0°179.9°
C08C09C18H1540.5°48.9°
O03C16C07H12126.6°125.7°
O03C16C07C0831.4°32.5°
O03C16C07C04147.5°147.8°
C16O03C09H6176.7°176.1°
O03C16C17H1379.7°153.0°
O03C16C17H14157.3°83.4°
C14C15C10H10180.0°179.4°
C15C14C13H9180.0°179.7°
C14C15C10C08178.8°179.7°
C14C15C10C111.0°0.5°
C15C14C13O02179.9°179.8°
C15C14C13C120.0°0.3°
C10C15C14C130.7°0.6°
C15C10C08C11177.6°179.8°
C15C10C08C07136.9°115.2°
C15C10C11C120.8°0.2°
C15C10C11H7179.2°179.7°
C10C15C14H9179.3°179.7°
C16C07C08C10178.3°179.7°
C16C07C08C04178.7°179.7°
C16C07C04C0528.1°115.3°
C16C07C04C03151.9°64.9°
C07C16C17H13172.2°48.5°
C07C16C17H1449.2°172.2°
C14C13O02C12179.8°180.0°
C14C13C12C110.1°0.0°
C14C13C12H8179.8°180.0°
C13C14C15H10179.3°180.0°
C14C13O02H11180.0°90.0°
C08C10C11C12178.6°180.0°
C10C08C07C043.0°0.1°
C10C08C09H622.1°22.2°
C08C10C11H71.4°0.0°
C08C10C15H101.2°0.2°
C07C08C10C1145.5°65.0°
C08C07C04C05153.4°65.1°
C08C07C04C0326.7°114.7°
C07C08C09H6160.3°157.8°
C08C07C16H12158.0°158.2°
C10C11C12C130.2°0.1°
C10C11C12H7180.0°180.0°
C10C11C12H8179.8°180.0°
C11C10C15H10179.0°180.0°
O02C13C12C11179.7°179.9°
O02C13C12H80.3°0.0°
O02C13C14H90.1°0.0°
C13C12C11H8180.0°180.0°
C13C12C11H7179.8°180.0°
C12C13C14H9179.9°180.0°
C12C13O02H110.2°90.0°
C07C04C05C03180.0°179.8°
C07C04C05C06180.0°180.0°
C07C04C03C02179.8°179.8°
C07C04C03H20.2°0.2°
C07C04C05H30.1°0.2°
C04C07C16H1220.9°22.2°
C04C05C06H3180.0°179.8°
C05C04C03C020.1°0.0°
C04C05C06C010.3°0.5°
C05C04C03H2179.9°180.0°
C04C05C06H4179.6°180.0°
C03C04C05C060.1°0.2°
C04C03C02H2180.0°180.0°
C04C03C02C010.2°0.0°
C04C03C02H1179.8°180.0°
C03C04C05H3179.9°180.0°
C05C06C01H4180.0°179.5°
C05C06C01C020.3°0.6°
C05C06C01O01179.7°179.7°
C03C02C01C060.1°0.3°
C03C02C01H1180.0°180.0°
C03C02C01O01179.9°180.0°
C06C01C02O01180.0°179.7°
C06C01C02H1179.9°179.7°
C01C06C05H3179.6°179.7°
C06C01O01H5180.0°90.3°
C01C02C03H2179.9°180.0°
C02C01C06H4179.7°180.0°
C02C01O01H50.0°90.0°
O01C01C02H10.0°0.0°
O01C01C06H40.3°0.3°
H1C02C03H20.1°0.0°
H3C05C06H40.4°0.2°
H6C09C18H1585.3°80.2°
H7C11C12H80.2°0.0°
H9C14C15H100.7°0.3°
H12C16C17H1345.5°80.3°
H12C16C17H1477.6°43.3°
H13C17C18H15129.5°0.0°
H14C17C18H156.5°124.1°
H17C22C23H180.0°0.0°
H18C23C24H190.1°0.0°

248636

PDB entries from 2026-02-04

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