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A1D79

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C22C21sing1.53Å1.53Å
O4C21sing1.43Å1.43Å
C21C23sing1.53Å1.53Å
C21C19sing1.51Å1.51Å
C14C13doub1.38Å1.39ÅAromatic
C14C15sing1.38Å1.38ÅAromatic
C19C20doub1.33Å1.34ÅAromatic
C19C18sing1.38Å1.39ÅAromatic
C13C12sing1.38Å1.39ÅAromatic
C15C10doub1.39Å1.40ÅAromatic
C20S2sing1.76Å1.76ÅAromatic
C18C17doub1.33Å1.33ÅAromatic
C12C11doub1.38Å1.39ÅAromatic
C12CL2sing1.74Å1.74Å
C10C11sing1.39Å1.40ÅAromatic
C10C5sing1.48Å1.48Å
C4C5doub1.39Å1.40ÅAromatic
C4C3sing1.38Å1.38ÅAromatic
C11CL1sing1.74Å1.74Å
S2C17sing1.76Å1.75ÅAromatic
C5C6sing1.40Å1.40ÅAromatic
C17S1sing1.76Å1.76Å
C3C2doub1.39Å1.39ÅAromatic
O1C16doub1.22Å1.22Å
O2S1doub1.42Å1.42Å
C6N1sing1.40Å1.40Å
C6C1doub1.39Å1.39ÅAromatic
C2C1sing1.38Å1.38ÅAromatic
C2C9sing1.52Å1.51Å
C16N1sing1.35Å1.35Å
C16N2sing1.35Å1.35Å
S1N2sing1.66Å1.66Å
S1O3doub1.42Å1.42Å
C1C7sing1.51Å1.51Å
C9C8sing1.54Å1.54Å
C8C7sing1.54Å1.54Å
N1H1sing0.97Å1.00Å
C4H2sing1.08Å1.08Å
C7H3sing1.09Å1.10Å
C7H4sing1.09Å1.10Å
C8H5sing1.09Å1.10Å
C8H6sing1.09Å1.10Å
C13H7sing1.08Å1.08Å
C15H8sing1.08Å1.08Å
C20H9sing1.08Å1.08Å
C22H10sing1.09Å1.10Å
C22H11sing1.09Å1.10Å
C22H12sing1.09Å1.10Å
C3H13sing1.08Å1.08Å
C9H14sing1.09Å1.10Å
C9H15sing1.09Å1.10Å
C14H16sing1.08Å1.08Å
N2H17sing0.97Å1.00Å
C18H18sing1.08Å1.08Å
C23H19sing1.09Å1.10Å
C23H20sing1.09Å1.10Å
C23H21sing1.09Å1.10Å
O4H22sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C22C21O4108.3°109.5°
C22C21C23109.2°109.5°
C22C21C19111.9°109.5°
C21C22H10109.5°109.5°
C21C22H11109.5°109.5°
C21C22H12109.5°109.5°
O4C21C23108.9°109.5°
O4C21C19109.5°109.5°
C21O4H22109.5°114.0°
C23C21C19109.0°109.4°
C21C23H19109.5°109.5°
C21C23H20109.5°109.4°
C21C23H21109.5°109.5°
C21C19C20123.8°122.6°
C21C19C18121.7°122.5°
C13C14C15120.1°120.2°
C14C13C12120.2°120.3°
C14C13H7119.9°119.9°
C13C14H16119.9°119.9°
C14C15C10120.1°119.9°
C14C15H8119.9°120.1°
C15C14H16119.9°119.9°
C20C19C18114.4°114.9°
C19C20S2109.8°109.6°
C19C20H9125.1°125.1°
C19C18C17115.0°115.0°
C19C18H18122.5°122.5°
C13C12C11120.3°120.1°
C13C12CL2119.5°120.0°
C12C13H7119.9°119.9°
C15C10C11119.7°119.7°
C15C10C5119.4°120.1°
C10C15H8120.0°120.0°
C20S2C1790.9°91.0°
S2C20H9125.1°125.2°
C18C17S2109.8°109.6°
C18C17S1126.2°125.2°
C17C18H18122.5°122.5°
C11C12CL2120.2°120.0°
C12C11C10119.6°119.9°
C12C11CL1119.8°120.1°
C11C10C5120.9°120.1°
C10C11CL1120.6°120.0°
C10C5C4119.9°120.2°
C10C5C6120.5°120.2°
C5C4C3120.0°119.9°
C4C5C6119.6°119.6°
C5C4H2120.0°120.0°
C4C3C2120.4°120.5°
C3C4H2120.0°120.1°
C4C3H13119.8°119.7°
S2C17S1124.0°125.2°
C5C6N1120.1°120.0°
C5C6C1119.8°120.0°
C17S1O2107.6°106.4°
C17S1N2105.8°107.2°
C17S1O3105.3°106.4°
C3C2C1120.2°120.1°
C3C2C9130.4°130.2°
C2C3H13119.7°119.7°
O1C16N1120.3°120.0°
O1C16N2121.0°120.0°
O2S1N2108.4°106.4°
O2S1O3122.7°123.2°
N1C6C1120.1°120.0°
C6N1C16121.5°120.0°
C6N1H1119.3°120.0°
C6C1C2120.0°119.9°
C6C1C7131.0°130.3°
C1C2C9109.4°109.7°
C2C1C7109.0°109.8°
C2C9C8104.4°105.2°
C2C9H14110.7°110.3°
C2C9H15110.7°110.3°
N1C16N2118.6°120.0°
C16N1H1119.2°120.0°
C16N2S1123.1°120.0°
C16N2H17118.5°120.0°
N2S1O3105.9°106.4°
S1N2H17118.4°120.0°
C1C7C8104.5°105.2°
C1C7H3110.7°110.3°
C1C7H4110.7°110.4°
C9C8C7101.1°102.4°
C9C8H5111.5°110.8°
C9C8H6111.5°110.9°
C8C9H14110.7°110.3°
C8C9H15110.7°110.3°
C8C7H3110.7°110.4°
C8C7H4110.7°110.3°
C7C8H5111.5°110.8°
C7C8H6111.5°110.8°
H3C7H4109.5°110.2°
H5C8H6109.5°110.8°
H10C22H11109.5°109.5°
H10C22H12109.4°109.5°
H11C22H12109.5°109.5°
H14C9H15109.4°110.4°
H19C23H20109.5°109.4°
H19C23H21109.5°109.5°
H20C23H21109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C22C21O4C23118.7°120.0°
C22C21O4C19122.3°120.0°
C22C21C23C19122.4°120.0°
C22C21C19C2024.8°90.0°
C22C21C19C18155.6°90.0°
C21C22H10H11120.0°120.0°
C21C22H10H12120.0°120.0°
C21C22H11H12120.0°120.0°
C22C21C23H19180.0°60.0°
C22C21C23H2060.0°60.0°
C22C21C23H2160.0°180.0°
C22C21O4H22180.0°60.0°
O4C21C23C19119.4°120.0°
O4C21C19C20145.0°150.0°
O4C21C19C1835.5°30.0°
O4C21C22H10180.0°180.0°
O4C21C22H1160.0°60.0°
O4C21C22H1260.0°60.0°
O4C21C23H1961.9°180.0°
O4C21C23H20178.1°60.1°
O4C21C23H2158.1°60.0°
C23C21C19C2096.0°30.0°
C23C21C19C1883.6°150.0°
C23C21C22H1061.5°60.0°
C23C21C22H11178.5°180.0°
C23C21C22H1258.5°60.0°
C21C23H19H20120.0°119.9°
C21C23H19H21120.0°120.0°
C21C23H20H21120.0°120.0°
C23C21O4H2261.3°179.9°
C21C19C20C18179.6°180.0°
C21C19C20S2179.9°179.8°
C21C19C18C17179.9°180.0°
C21C19C20H90.1°0.1°
C19C21C22H1059.2°60.0°
C19C21C22H1160.8°60.0°
C19C21C22H12179.2°180.0°
C21C19C18H180.1°0.0°
C19C21C23H1957.6°60.0°
C19C21C23H2062.4°179.9°
C19C21C23H21177.5°60.0°
C19C21O4H2257.7°60.0°
C13C14C15H16180.0°179.2°
C14C13C12H7180.0°179.4°
C13C14C15C100.0°0.5°
C14C13C12C110.2°0.6°
C14C13C12CL2179.9°180.0°
C13C14C15H8179.9°179.4°
C15C14C13C120.2°0.8°
C14C15C10H8180.0°179.9°
C14C15C10C110.3°0.0°
C14C15C10C5179.8°179.7°
C15C14C13H7179.8°179.7°
C19C20S2H9180.0°179.7°
C20C19C18C170.3°0.0°
C19C20S2C170.2°0.3°
C20C19C18H18179.6°180.0°
C18C19C20S20.3°0.2°
C19C18C17H18180.0°180.0°
C19C18C17S20.2°0.2°
C19C18C17S1179.9°180.0°
C18C19C20H9179.7°179.9°
C13C12C11CL2179.9°179.4°
C13C12C11C100.1°0.0°
C13C12C11CL1180.0°180.0°
C12C13C14H16179.8°180.0°
C15C10C11C120.4°0.3°
C15C10C11C5179.4°179.7°
C15C10C5C469.5°67.4°
C15C10C11CL1179.7°179.7°
C15C10C5C6110.0°112.6°
C10C15C14H16179.9°179.7°
C20S2C17C180.0°0.3°
C20S2C17S1179.9°179.9°
C18C17S2S1179.9°179.8°
C18C17S1O224.8°156.5°
C18C17S1N2140.6°90.0°
C18C17S1O3107.6°23.6°
C12C11C10CL1179.9°180.0°
C12C11C10C5179.8°180.0°
C11C12C13H7179.8°180.0°
CL2C12C11C10179.8°179.5°
CL2C12C11CL10.1°0.5°
CL2C12C13H70.1°0.6°
C11C10C5C4111.0°112.9°
C11C10C5C669.4°67.1°
C11C10C15H8179.6°180.0°
C10C5C4C6179.6°180.0°
C10C5C4C3179.9°180.0°
C5C10C11CL10.3°0.0°
C10C5C6N10.5°0.0°
C10C5C6C1180.0°180.0°
C10C5C4H20.1°0.2°
C5C10C15H80.2°0.3°
C5C4C3H2180.0°179.8°
C5C4C3C20.1°0.1°
C4C5C6N1180.0°180.0°
C4C5C6C10.5°0.0°
C5C4C3H13179.9°179.9°
C3C4C5C60.4°0.0°
C4C3C2H13180.0°179.9°
C4C3C2C10.0°0.0°
C4C3C2C9179.9°180.0°
S2C17S1O2155.3°23.2°
S2C17S1N239.6°90.3°
S2C17S1O372.3°156.2°
C17S2C20H9179.8°180.0°
S2C17C18H18179.8°179.8°
C5C6N1C1179.5°180.0°
C5C6C1C20.4°0.1°
C5C6N1C1671.3°128.2°
C5C6C1C7179.6°180.0°
C5C6N1H1108.7°52.2°
C6C5C4H2179.6°179.8°
C17S1O2N2114.0°114.1°
C17S1O2O3122.1°123.0°
C17S1N2C1677.5°65.0°
C17S1N2O3111.5°113.5°
C17S1N2H17102.5°115.0°
S1C17C18H180.1°0.0°
C3C2C1C60.1°0.0°
C3C2C1C9179.9°180.0°
C3C2C1C7179.8°180.0°
C3C2C9C8159.3°162.7°
C2C3C4H2179.9°179.7°
C3C2C9H1440.1°43.8°
C3C2C9H1581.5°78.3°
O1C16N1C60.4°5.8°
O1C16N1N2179.9°179.9°
O1C16N2S10.4°0.1°
O1C16N1H1179.6°173.8°
O1C16N2H17179.6°179.9°
O2S1N2C1637.7°48.5°
O2S1N2O3133.4°132.9°
O2S1N2H17142.3°131.5°
N1C6C1C2179.8°180.0°
C6N1C16H1180.0°179.7°
C6N1C16N2179.7°174.2°
N1C6C1C70.1°0.0°
C6C1C2C7179.9°179.9°
C6C1C2C9179.8°180.0°
C1C6N1C16109.2°51.8°
C6C1C7C8159.0°162.7°
C1C6N1H170.8°127.9°
C6C1C7H381.8°78.3°
C6C1C7H439.8°43.8°
C1C2C9C820.6°17.3°
C2C1C7C821.1°17.2°
C2C1C7H398.1°101.8°
C2C1C7H4140.3°136.1°
C1C2C3H13180.0°179.9°
C1C2C9H14139.8°136.2°
C1C2C9H1598.6°101.7°
C9C2C1C70.3°0.0°
C2C9C8H14119.2°118.9°
C2C9C8H15119.2°118.9°
C2C9C8C731.8°26.4°
C2C9C8H586.8°91.8°
C2C9C8H6150.4°144.7°
C9C2C3H130.1°0.1°
C2C9H14H15122.3°122.1°
N1C16N2S1179.7°180.0°
N1C16N2H170.3°0.0°
C16N2S1H17180.0°180.0°
C16N2S1O3171.1°178.6°
N2C16N1H10.2°6.1°
O3S1N2H178.9°1.4°
C1C7C8C932.0°26.4°
C1C7C8H3119.2°119.0°
C1C7C8H4119.2°119.0°
C1C7H3H4122.3°122.1°
C1C7C8H586.7°91.8°
C1C7C8H6150.6°144.8°
C9C8C7H5118.7°118.2°
C9C8C7H6118.6°118.4°
C9C8C7H387.2°92.5°
C9C8C7H4151.2°145.4°
C9C8H5H6123.9°123.6°
C8C9H14H15122.3°122.2°
C8C7H3H4122.3°122.1°
C7C8H5H6123.9°123.4°
C7C8C9H14151.0°145.3°
C7C8C9H1587.4°92.4°
H2C4C3H130.1°0.1°
H3C7C8H5154.1°149.2°
H3C7C8H631.4°25.8°
H4C7C8H532.6°27.2°
H4C7C8H690.2°96.2°
H5C8C9H1432.4°27.0°
H5C8C9H15153.9°149.3°
H6C8C9H1490.3°96.5°
H6C8C9H1531.2°25.8°
H7C13C14H160.2°0.5°
H8C15C14H160.1°0.2°
H10C22H11H12120.0°120.0°
H19C23H20H21120.0°120.0°

250835

PDB entries from 2026-03-18

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