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A1B8D

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C20C19doub1.38Å1.41ÅAromatic
C20C2sing1.39Å1.41ÅAromatic
O3S1doub1.42Å1.46Å
C19C5sing1.38Å1.40ÅAromatic
O1C2sing1.36Å1.37Å
O1C1sing1.43Å1.42Å
C2C3doub1.39Å1.42ÅAromatic
C5S1sing1.76Å1.78Å
C5C4doub1.38Å1.40ÅAromatic
S1O2doub1.42Å1.46Å
S1N1sing1.66Å1.72Å
C3C4sing1.38Å1.41ÅAromatic
O5N4sing1.21Å1.40ÅAromatic
O5N3sing1.21Å1.40ÅAromatic
N1C6sing1.40Å1.39Å
N4C17doub1.31Å1.33ÅAromatic
N3C16doub1.31Å1.33ÅAromatic
C6C18doub1.39Å1.41ÅAromatic
C6C7sing1.39Å1.41ÅAromatic
C18C10sing1.40Å1.41ÅAromatic
C17C16sing1.48Å1.43ÅAromatic
C17C12sing1.46Å1.39ÅAromatic
C16C15sing1.41Å1.38ÅAromatic
C7C8doub1.38Å1.40ÅAromatic
N2C12sing1.39Å1.43Å
N2C11sing1.35Å1.34Å
C12C13doub1.36Å1.41ÅAromatic
C10C11sing1.48Å1.49Å
C10C9doub1.40Å1.41ÅAromatic
C15C14doub1.36Å1.40ÅAromatic
C8C9sing1.38Å1.40ÅAromatic
C11O4doub1.22Å1.22Å
C13C14sing1.40Å1.40ÅAromatic
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C3H4sing1.08Å1.08Å
C13H5sing1.08Å1.08Å
C14H6sing1.08Å1.08Å
C15H7sing1.08Å1.08Å
C18H8sing1.08Å1.08Å
C19H9sing1.08Å1.08Å
C20H10sing1.08Å1.08Å
C4H11sing1.08Å1.08Å
C7H12sing1.08Å1.08Å
C8H13sing1.08Å1.08Å
C9H14sing1.08Å1.08Å
N1H15sing0.97Å1.00Å
N2H16sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C19C20C2120.8°119.9°
C20C19C5119.4°120.1°
C20C19H9120.3°119.9°
C19C20H10119.6°120.0°
C20C2O1116.5°120.0°
C20C2C3119.2°119.9°
C2C20H10119.6°120.1°
O3S1C5109.0°106.4°
O3S1O2121.8°123.1°
O3S1N1105.5°106.4°
C19C5S1119.2°119.9°
C19C5C4120.7°120.1°
C5C19H9120.3°120.0°
C2O1C1118.3°117.0°
O1C2C3124.3°120.0°
O1C1H1109.5°109.4°
O1C1H2109.5°109.5°
O1C1H3109.5°109.4°
C2C3C4120.2°120.0°
C2C3H4119.9°120.1°
S1C5C4120.0°119.9°
C5S1O2109.9°106.4°
C5S1N1103.0°107.2°
C5C4C3119.6°120.0°
C5C4H11120.2°120.0°
O2S1N1105.8°106.4°
S1N1C6128.9°120.0°
S1N1H15104.4°120.0°
C4C3H4119.9°120.0°
C3C4H11120.2°120.0°
N4O5N3112.6°116.3°
O5N4C17103.9°109.1°
O5N3C16104.0°109.1°
N1C6C18119.5°120.0°
N1C6C7121.0°120.0°
C6N1H15104.4°120.0°
N4C17C16109.7°102.9°
N4C17C12129.5°138.8°
N3C16C17109.8°102.6°
N3C16C15129.9°138.8°
C18C6C7119.5°120.0°
C6C18C10120.5°119.7°
C6C18H8119.7°120.1°
C6C7C8120.4°120.3°
C6C7H12119.8°119.9°
C18C10C11120.9°120.1°
C18C10C9119.3°119.8°
C10C18H8119.7°120.1°
C16C17C12120.8°118.2°
C17C16C15120.3°118.6°
C17C12N2117.1°120.7°
C17C12C13118.3°118.6°
C16C15C14119.2°120.1°
C16C15H7120.4°119.9°
C7C8C9119.9°120.2°
C8C7H12119.8°119.9°
C7C8H13120.1°119.9°
C12N2C11128.7°120.0°
N2C12C13124.6°120.7°
C12N2H16115.6°120.0°
N2C11C10117.1°120.0°
N2C11O4124.1°120.0°
C11N2H16115.7°119.9°
C12C13C14120.8°121.8°
C12C13H5119.6°119.1°
C11C10C9119.8°120.1°
C10C11O4118.8°120.0°
C10C9C8120.5°120.0°
C10C9H14119.8°120.1°
C15C14C13120.5°122.7°
C15C14H6119.8°118.6°
C14C15H7120.4°120.0°
C9C8H13120.1°119.9°
C8C9H14119.8°119.9°
C14C13H5119.6°119.1°
C13C14H6119.7°118.7°
H1C1H2109.5°109.5°
H1C1H3109.5°109.5°
H2C1H3109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C19C20C2H10180.0°179.9°
C20C19C5H9180.0°179.9°
C19C20C2O1179.8°179.8°
C19C20C2C30.1°0.0°
C20C19C5S1179.9°180.0°
C20C19C5C40.1°0.7°
C2C20C19C50.1°0.5°
C20C2O1C3179.7°179.8°
C20C2O1C1155.7°0.2°
C20C2C3C40.2°0.3°
C20C2C3H4179.9°179.7°
C2C20C19H9179.9°179.4°
O3S1C5C1925.1°18.3°
O3S1C5O2135.8°132.9°
O3S1C5N1111.8°113.5°
O3S1C5C4154.9°162.5°
O3S1O2N1120.2°122.9°
O3S1N1C6178.2°51.6°
O3S1N1H1559.3°128.3°
C19C5S1C4180.0°179.2°
C19C5S1O2160.9°151.2°
C19C5S1N186.7°95.2°
C19C5C4C30.1°0.5°
C5C19C20H10179.9°179.4°
C19C5C4H11179.8°179.4°
O1C2C3C4179.8°179.9°
C2O1C1H1180.0°179.9°
C2O1C1H260.0°59.9°
C2O1C1H360.0°60.0°
O1C2C3H40.2°0.1°
O1C2C20H100.2°0.3°
C1O1C2C324.0°180.0°
O1C1H1H2120.0°120.0°
O1C1H1H3120.0°120.0°
O1C1H2H3120.0°120.0°
C2C3C4C50.2°0.0°
C2C3C4H4180.0°179.9°
C3C2C20H10179.9°179.9°
C2C3C4H11179.8°179.9°
C5S1O2N1110.6°114.1°
S1C5C4C3179.9°179.7°
C5S1N1C663.9°61.9°
S1C5C19H90.1°0.0°
S1C5C4H110.1°0.2°
C5S1N1H15173.6°118.1°
C4C5S1O219.0°29.5°
C4C5S1N193.3°84.0°
C5C4C3H11180.0°179.9°
C5C4C3H4179.8°179.9°
C4C5C19H9179.9°179.2°
O2S1N1C651.5°175.5°
O2S1N1H1571.1°4.5°
S1N1C6H15122.5°180.0°
S1N1C6C18129.9°133.8°
S1N1C6C750.2°46.3°
N4O5N3C160.1°0.0°
O5N4C17C160.1°0.0°
O5N4C17C12179.8°180.0°
N3O5N4C170.1°0.0°
O5N3C16C170.2°0.1°
O5N3C16C15179.9°180.0°
N1C6C18C7179.9°179.9°
N1C6C18C10179.8°180.0°
N1C6C7C8180.0°180.0°
N1C6C18H80.2°0.3°
N1C6C7H120.0°0.1°
N4C17C16N30.2°0.0°
N4C17C16C12179.8°180.0°
N4C17C16C15179.9°180.0°
N4C17C12N20.6°0.2°
N4C17C12C13179.8°179.9°
N3C16C17C15179.7°180.0°
N3C16C17C12179.7°180.0°
N3C16C15C14179.8°180.0°
N3C16C15H70.1°0.0°
C6C18C10H8180.0°179.6°
C18C6C7C80.1°0.1°
C6C18C10C11179.8°179.8°
C6C18C10C90.4°0.3°
C18C6C7H12179.9°180.0°
C18C6N1H15107.6°46.2°
C7C6C18C100.1°0.0°
C6C7C8H12180.0°179.9°
C6C7C8C90.1°0.2°
C7C6C18H8179.9°179.6°
C6C7C8H13179.9°180.0°
C7C6N1H1572.4°133.7°
C18C10C11N210.8°180.0°
C18C10C11C9179.4°179.9°
C18C10C9C80.3°0.6°
C18C10C11O4169.4°0.1°
C18C10C9H14179.7°180.0°
C16C17C12N2179.6°179.7°
C16C17C12C130.4°0.0°
C17C16C15C140.2°0.1°
C17C16C15H7179.8°180.0°
C12C17C16C150.1°0.0°
C17C12N2C13179.2°179.7°
C17C12N2C11151.3°146.4°
C17C12C13C140.5°0.0°
C17C12C13H5179.6°180.0°
C17C12N2H1628.7°33.6°
C16C15C14H7180.0°180.0°
C16C15C14C130.1°0.1°
C16C15C14H6179.9°180.0°
C7C8C9C100.1°0.5°
C7C8C9H13180.0°179.8°
C7C8C9H14179.9°180.0°
C12N2C11H16180.0°180.0°
C12N2C11C10179.4°175.1°
C12N2C11O40.8°4.9°
N2C12C13C14179.6°179.7°
N2C12C13H50.4°0.3°
C11N2C12C1327.9°33.8°
N2C11C10O4179.8°179.9°
N2C11C10C9169.8°0.1°
C12C13C14C150.3°0.0°
C12C13C14H5180.0°180.0°
C12C13C14H6179.7°179.9°
C13C12N2H16152.1°146.1°
C11C10C9C8179.8°179.5°
C11C10C18H80.2°0.1°
C11C10C9H140.2°0.0°
C10C11N2H160.6°4.9°
C10C9C8H14180.0°179.5°
C9C10C11O410.0°180.0°
C9C10C18H8179.6°180.0°
C10C9C8H13179.9°179.7°
C15C14C13H6180.0°179.9°
C15C14C13H5179.8°180.0°
C9C8C7H12179.9°179.7°
O4C11N2H16179.2°175.1°
C13C14C15H7179.9°180.0°
H1C1H2H3120.0°120.1°
H4C3C4H110.2°0.0°
H5C13C14H60.2°0.1°
H6C14C15H70.1°0.1°
H9C19C20H100.1°0.6°
H12C7C8H130.1°0.0°
H13C8C9H140.1°0.2°

238582

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