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68T

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C22O6sing1.43Å1.41Å
C22C21sing1.47Å1.46Å
C21C20trip1.17Å1.19Å
C20C19sing1.43Å1.42Å
C19C18doub1.36Å1.36ÅAromatic
C19S1sing1.76Å1.72ÅAromatic
C18C17sing1.37Å1.40ÅAromatic
C17C16doub1.36Å1.38ÅAromatic
S1C16sing1.76Å1.73ÅAromatic
C16C15sing1.48Å1.48Å
C15C14doub1.39Å1.39ÅAromatic
C15C1sing1.40Å1.41ÅAromatic
OC1sing1.36Å1.37Å
OCsing1.43Å1.43Å
C14C5sing1.40Å1.39ÅAromatic
C1C2doub1.38Å1.39ÅAromatic
C5C6sing1.47Å1.49Å
C5C3doub1.40Å1.39ÅAromatic
C2C3sing1.38Å1.38ÅAromatic
NC6sing1.35Å1.38Å
NSsing1.66Å1.63Å
C6O5doub1.22Å1.23Å
O2Sdoub1.42Å1.43Å
O4Sdoub1.42Å1.43Å
C3O1sing1.36Å1.37Å
SC7sing1.76Å1.76Å
O1C4sing1.43Å1.43Å
C7C8doub1.38Å1.39ÅAromatic
C7C13sing1.38Å1.39ÅAromatic
C8C9sing1.39Å1.39ÅAromatic
C13C12doub1.38Å1.39ÅAromatic
C10O3sing1.43Å1.43Å
C9O3sing1.36Å1.38Å
C9C11doub1.39Å1.39ÅAromatic
C12C11sing1.38Å1.39ÅAromatic
C2H1sing1.08Å1.08Å
C11H2sing1.08Å1.08Å
C12H3sing1.08Å1.08Å
C13H4sing1.08Å1.08Å
C14H5sing1.08Å1.08Å
C17H6sing1.08Å1.08Å
C18H7sing1.08Å1.08Å
C22H8sing1.09Å1.10Å
C22H9sing1.09Å1.10Å
NH10sing0.97Å1.00Å
C10H11sing1.09Å1.10Å
C10H12sing1.09Å1.10Å
C10H13sing1.09Å1.10Å
C8H14sing1.08Å1.08Å
C4H15sing1.09Å1.10Å
C4H16sing1.09Å1.10Å
C4H17sing1.09Å1.10Å
CH18sing1.09Å1.10Å
CH19sing1.09Å1.10Å
CH20sing1.09Å1.10Å
O6H21sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O6C22C21111.6°109.5°
O6C22H8108.9°109.5°
O6C22H9108.9°109.5°
C22O6H21109.5°114.1°
C22C21C20176.1°180.0°
C21C22H8108.9°109.5°
C21C22H9108.9°109.4°
C21C20C19172.1°179.9°
C20C19C18130.2°125.2°
C20C19S1118.4°125.1°
C18C19S1111.3°109.7°
C19C18C17113.2°114.7°
C19C18H7123.4°122.6°
C19S1C1691.7°91.2°
C18C17C16113.4°114.7°
C18C17H6123.3°122.6°
C17C18H7123.4°122.7°
C17C16S1110.4°109.8°
C17C16C15128.2°125.1°
C16C17H6123.3°122.7°
S1C16C15121.4°125.1°
C16C15C14118.4°120.0°
C16C15C1123.7°120.1°
C14C15C1117.8°119.9°
C15C14C5122.1°119.8°
C15C14H5119.0°120.1°
C15C1O116.1°119.9°
C15C1C2120.6°120.1°
C1OC118.1°117.0°
OC1C2123.2°120.0°
OCH18109.5°109.5°
OCH19109.5°109.5°
OCH20109.4°109.5°
C14C5C6115.2°120.1°
C14C5C3118.7°119.8°
C5C14H5119.0°120.1°
C1C2C3120.4°120.2°
C1C2H1119.8°119.8°
C6C5C3126.0°120.1°
C5C6N115.8°120.0°
C5C6O5122.5°120.0°
C5C3C2120.3°120.1°
C5C3O1115.5°119.9°
C2C3O1124.2°120.0°
C3C2H1119.8°119.9°
C6NS123.3°120.0°
NC6O5121.7°120.0°
C6NH10118.4°120.0°
NSO2105.6°106.4°
NSO4108.1°106.4°
NSC7104.7°107.3°
SNH10118.4°120.0°
O2SO4120.0°123.1°
O2SC7109.0°106.4°
O4SC7108.3°106.4°
C3O1C4118.2°117.0°
SC7C8118.8°120.0°
SC7C13120.4°119.9°
O1C4H15109.5°109.5°
O1C4H16109.5°109.5°
O1C4H17109.5°109.4°
C8C7C13120.7°120.0°
C7C8C9119.8°120.0°
C7C8H14120.1°120.0°
C7C13C12119.0°120.1°
C7C13H4120.5°120.0°
C8C9O3121.7°120.0°
C8C9C11120.3°119.9°
C9C8H14120.1°120.0°
C13C12C11120.8°120.0°
C13C12H3119.6°120.0°
C12C13H4120.5°119.9°
C10O3C9118.7°117.0°
O3C10H11109.5°109.5°
O3C10H12109.5°109.5°
O3C10H13109.5°109.5°
O3C9C11118.0°120.1°
C9C11C12119.4°120.0°
C9C11H2120.3°120.0°
C12C11H2120.3°120.0°
C11C12H3119.6°120.0°
H8C22H9109.5°109.5°
H11C10H12109.5°109.5°
H11C10H13109.5°109.4°
H12C10H13109.4°109.5°
H15C4H16109.5°109.5°
H15C4H17109.4°109.5°
H16C4H17109.5°109.5°
H18CH19109.4°109.5°
H18CH20109.5°109.4°
H19CH20109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O6C22C21H8120.3°120.0°
O6C22C21H9120.3°120.0°
O6C22C21C2092.0°35.8°
O6C22H8H9119.0°120.0°
C22C21C20C1921.0°172.3°
C21C22H8H9119.0°120.0°
C21C22O6H21180.0°180.0°
C21C20C19C18167.4°43.5°
C21C20C19S18.8°136.8°
C20C21C22H8147.7°155.8°
C20C21C22H928.3°84.2°
C20C19C18S1176.4°179.7°
C20C19C18C17175.2°180.0°
C20C19S1C16175.9°179.9°
C20C19C18H74.8°0.0°
C19C18C17H7180.0°180.0°
C19C18C17C160.7°0.0°
C18C19S1C161.0°0.4°
C19C18C17H6179.3°180.0°
S1C19C18C171.2°0.3°
C19S1C16C170.6°0.4°
C19S1C16C15179.6°179.9°
S1C19C18H7178.8°179.7°
C18C17C16H6180.0°180.0°
C18C17C16S10.1°0.3°
C18C17C16C15178.9°180.0°
C17C16S1C15178.9°179.7°
C17C16C15C1430.4°50.0°
C17C16C15C1149.2°130.0°
C16C17C18H7179.3°180.0°
S1C16C15C14148.3°129.7°
S1C16C15C132.0°50.3°
S1C16C17H6179.9°179.7°
C16C15C14C1179.7°180.0°
C16C15C1O0.4°0.2°
C16C15C14C5178.9°180.0°
C16C15C1C2178.8°180.0°
C16C15C14H51.1°0.0°
C15C16C17H61.1°0.0°
C14C15C1O179.9°179.8°
C15C14C5H5180.0°180.0°
C14C15C1C20.8°0.0°
C15C14C5C6175.5°180.0°
C15C14C5C30.5°0.0°
C15C1OC2179.2°179.8°
C15C1OC179.0°179.7°
C1C15C14C50.8°0.0°
C15C1C2C30.5°0.0°
C15C1C2H1179.5°180.0°
C1C15C14H5179.2°180.0°
OC1C2C3178.7°179.8°
OC1C2H11.3°0.3°
C1OCH18180.0°60.0°
C1OCH1960.0°180.0°
C1OCH2060.0°60.0°
COC1C21.7°0.0°
OCH18H19120.0°120.1°
OCH18H20120.0°120.0°
OCH19H20120.0°120.0°
C14C5C6C3175.7°180.0°
C14C5C3C21.9°0.0°
C14C5C6N65.3°0.0°
C14C5C6O5116.3°180.0°
C14C5C3O1177.1°180.0°
C1C2C3C51.9°0.0°
C1C2C3H1180.0°180.0°
C1C2C3O1177.0°180.0°
C6C5C3C2173.6°180.0°
C5C6NO5178.4°180.0°
C5C6NS170.1°180.0°
C6C5C3O17.3°0.0°
C6C5C14H54.5°0.1°
C5C6NH109.9°0.0°
C5C3C2O1179.0°180.0°
C3C5C6N110.4°180.0°
C3C5C6O568.0°0.0°
C5C3O1C4173.1°180.0°
C5C3C2H1178.1°180.0°
C3C5C14H5179.5°180.0°
C2C3O1C47.9°0.0°
C6NSH10180.0°180.0°
C6NSO254.8°48.6°
C6NSO4175.5°178.6°
C6NSC760.2°65.0°
SNC6O58.4°0.0°
NSO2O4122.3°123.0°
NSO2C7112.1°114.1°
NSO4C7113.0°114.2°
NSC7C844.2°90.0°
NSC7C13133.5°89.9°
O5C6NH10171.7°180.0°
O2SO4C7125.9°122.9°
O2SC7C8156.8°156.5°
O2SC7C1320.8°23.6°
O2SNH10125.2°131.5°
O4SC7C871.0°23.6°
O4SC7C13111.3°156.5°
O4SNH104.4°1.4°
O1C3C2H12.9°0.0°
C3O1C4H15180.0°60.0°
C3O1C4H1660.0°60.0°
C3O1C4H1760.0°180.0°
SC7C8C13177.6°179.9°
SC7C8C9176.4°179.7°
SC7C13C12177.8°180.0°
SC7C13H42.1°0.1°
C7SNH10119.8°115.0°
SC7C8H143.6°0.1°
O1C4H15H16120.0°120.0°
O1C4H15H17120.0°120.0°
O1C4H16H17120.0°119.9°
C7C8C9H14180.0°179.6°
C8C7C13C120.3°0.1°
C7C8C9O3175.7°179.7°
C7C8C9C111.8°0.6°
C8C7C13H4179.7°180.0°
C13C7C8C91.2°0.4°
C7C13C12H4180.0°179.9°
C7C13C12C111.1°0.1°
C7C13C12H3178.9°180.0°
C13C7C8H14178.8°180.0°
C8C9O3C103.2°179.7°
C8C9O3C11177.5°179.7°
C8C9C11C121.0°0.6°
C8C9C11H2179.0°179.7°
C13C12C11C90.4°0.3°
C13C12C11H3180.0°179.9°
C13C12C11H2179.6°180.0°
C10O3C9C11179.3°0.0°
O3C10H11H12120.0°120.0°
O3C10H11H13120.0°120.0°
O3C10H12H13120.0°120.0°
O3C9C11C12176.5°179.7°
O3C9C11H23.4°0.0°
C9O3C10H11180.0°180.0°
C9O3C10H1260.0°60.0°
C9O3C10H1360.0°60.0°
O3C9C8H144.3°0.0°
C9C11C12H2180.0°179.7°
C9C11C12H3179.5°179.7°
C11C9C8H14178.2°179.7°
C11C12C13H4178.9°180.0°
H2C11C12H30.5°0.1°
H3C12C13H41.1°0.1°
H6C17C18H70.7°0.0°
H8C22O6H2159.7°60.0°
H9C22O6H2159.6°60.0°
H11C10H12H13120.0°120.0°
H15C4H16H17120.0°120.0°
H18CH19H20120.0°120.0°

221051

PDB entries from 2024-06-12

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