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D5P

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C19C20sing1.54Å1.52Å
C19C18sing1.54Å1.55Å
C20C17sing1.54Å1.58Å
C18C17sing1.54Å1.52Å
C17C16sing1.51Å1.48Å
C16N7doub1.30Å1.33ÅAromatic
C16C21sing1.41Å1.38ÅAromatic
N7N6sing1.40Å1.36ÅAromatic
N8C21doub1.34Å1.35ÅAromatic
N8C3sing1.32Å1.34ÅAromatic
C21C15sing1.40Å1.40ÅAromatic
S1C3sing1.76Å1.74Å
S1C2sing1.81Å1.83Å
N6C15sing1.37Å1.34ÅAromatic
C3N2doub1.33Å1.36ÅAromatic
C15C4doub1.40Å1.41ÅAromatic
N1C1sing1.47Å1.48Å
N2C4sing1.33Å1.34ÅAromatic
C4N3sing1.38Å1.34Å
C2C1sing1.53Å1.51Å
N3C5sing1.46Å1.45Å
C5C6sing1.51Å1.50Å
C6C7doub1.38Å1.38ÅAromatic
C6C14sing1.38Å1.38ÅAromatic
C7C8sing1.38Å1.38ÅAromatic
C14C13doub1.38Å1.38ÅAromatic
C8C9doub1.39Å1.38ÅAromatic
C13C9sing1.39Å1.38ÅAromatic
C9N4sing1.40Å1.42Å
N5N4sing1.40Å1.36ÅAromatic
N5C12doub1.31Å1.34ÅAromatic
N4C10sing1.35Å1.35ÅAromatic
C12C11sing1.40Å1.38ÅAromatic
C10C11doub1.35Å1.37ÅAromatic
N1H1sing1.01Å1.00Å
N1H2sing1.01Å1.00Å
N3H4sing0.97Å1.00Å
C5H5sing1.09Å1.10Å
C5H6sing1.09Å1.10Å
C7H7sing1.08Å1.08Å
C8H8sing1.08Å1.08Å
C10H9sing1.08Å1.08Å
C13H10sing1.08Å1.08Å
C17H11sing1.09Å1.10Å
C20H12sing1.09Å1.10Å
C20H13sing1.09Å1.10Å
C1H14sing1.09Å1.10Å
C1H15sing1.09Å1.10Å
C2H16sing1.09Å1.10Å
C2H17sing1.09Å1.10Å
C11H18sing1.08Å1.08Å
C12H19sing1.08Å1.08Å
C14H20sing1.08Å1.08Å
N6H21sing0.97Å1.00Å
C18H22sing1.09Å1.10Å
C18H23sing1.09Å1.10Å
C19H24sing1.09Å1.10Å
C19H25sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C20C19C1889.7°87.1°
C19C20C1789.2°87.1°
C19C20H12114.3°113.6°
C19C20H13114.3°113.7°
C20C19H24114.2°113.7°
C20C19H25114.2°113.6°
C19C18C1789.9°87.0°
C19C18H22114.1°113.7°
C19C18H23114.1°113.7°
C18C19H24114.2°113.6°
C18C19H25114.2°113.5°
C20C17C1888.5°87.1°
C20C17C16117.9°113.6°
C20C17H11109.8°113.6°
C17C20H12114.3°113.6°
C17C20H13114.3°113.6°
C18C17C16117.2°113.6°
C18C17H11110.5°113.6°
C17C18H22114.1°113.6°
C17C18H23114.1°113.6°
C17C16N7120.6°125.6°
C17C16C21131.4°125.6°
C16C17H11111.1°112.9°
N7C16C21108.0°108.8°
C16N7N6108.3°109.6°
C16C21N8130.3°134.2°
C16C21C15107.8°106.9°
N7N6C15110.4°107.9°
N7N6H21124.8°126.1°
C21N8C3114.2°120.4°
N8C21C15121.8°118.9°
N8C3S1114.9°118.8°
N8C3N2128.4°122.4°
C21C15N6105.4°106.8°
C21C15C4119.5°118.5°
C3S1C2104.7°100.0°
S1C3N2116.5°118.8°
S1C2C1110.9°109.5°
S1C2H16109.1°109.4°
S1C2H17109.1°109.5°
N6C15C4135.1°134.7°
C15N6H21124.8°126.0°
C3N2C4116.9°121.2°
C15C4N2119.0°118.6°
C15C4N3121.2°120.7°
N1C1C2115.7°109.5°
C1N1H1109.5°110.9°
C1N1H2109.4°111.0°
N1C1H14107.9°109.5°
N1C1H15107.9°109.5°
N2C4N3119.8°120.7°
C4N3C5123.8°120.0°
C4N3H4105.8°120.0°
C2C1H14107.9°109.5°
C2C1H15107.9°109.5°
C1C2H16109.1°109.5°
C1C2H17109.1°109.5°
N3C5C6110.9°109.5°
C5N3H4105.8°120.0°
N3C5H5109.1°109.5°
N3C5H6109.1°109.5°
C5C6C7121.1°119.9°
C5C6C14120.1°120.0°
C6C5H5109.1°109.5°
C6C5H6109.1°109.4°
C7C6C14118.7°120.1°
C6C7C8121.2°120.1°
C6C7H7119.4°119.9°
C6C14C13120.7°120.1°
C6C14H20119.6°119.9°
C7C8C9118.9°119.9°
C8C7H7119.4°120.0°
C7C8H8120.5°120.0°
C14C13C9119.6°119.9°
C14C13H10120.2°120.0°
C13C14H20119.7°120.0°
C8C9C13120.7°119.9°
C8C9N4119.8°120.0°
C9C8H8120.6°120.0°
C13C9N4119.4°120.1°
C9C13H10120.2°120.1°
C9N4N5119.7°126.1°
C9N4C10128.6°126.1°
N4N5C12104.5°108.2°
N5N4C10111.5°107.9°
N5C12C11111.6°108.2°
N5C12H19124.2°125.9°
N4C10C11107.2°107.7°
N4C10H9126.4°126.1°
C12C11C10105.2°107.9°
C12C11H18127.4°126.0°
C11C12H19124.2°125.8°
C11C10H9126.4°126.2°
C10C11H18127.4°126.1°
H1N1H2109.5°111.0°
H5C5H6109.4°109.4°
H12C20H13109.5°112.9°
H14C1H15109.5°109.4°
H16C2H17109.4°109.5°
H22C18H23109.5°112.8°
H24C19H25109.5°112.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C20C19C18H24116.5°114.6°
C20C19C18H25116.5°114.6°
C19C20C17H12116.4°114.5°
C19C20C17H13116.4°114.6°
C20C19C18C1712.8°25.4°
C19C20C17C16132.9°140.0°
C19C20C17H1198.7°89.1°
C19C20H12H13129.6°131.3°
C20C19C18H22103.7°139.9°
C20C19C18H23129.4°89.1°
C20C19H24H25129.4°131.3°
C19C18C17H22116.5°114.7°
C19C18C17H23116.5°114.6°
C19C18C17C16133.2°139.9°
C19C18C17H1198.3°89.2°
C18C19C20H12128.8°89.2°
C18C19C20H13104.1°139.9°
C19C18H22H23129.3°131.4°
C18C19H24H25129.4°131.1°
C20C17C18C16120.9°114.6°
C20C17C18H11110.6°114.6°
C20C17C16H11127.9°131.2°
C20C17C16N7112.3°58.4°
C20C17C16C2165.2°121.6°
C17C20H12H13129.6°131.2°
C20C17C18H22104.2°140.0°
C20C17C18H23128.8°89.2°
C17C20C19H24128.9°140.0°
C17C20C19H25104.1°89.1°
C18C17C16H11128.3°131.2°
C18C17C16N7143.9°39.1°
C18C17C16C2138.7°140.9°
C18C17C20H12129.0°89.2°
C18C17C20H13103.8°140.0°
C17C18H22H23129.3°131.1°
C17C18C19H24129.3°140.0°
C17C18C19H25103.7°89.2°
C17C16N7C21178.0°180.0°
C17C16N7N6179.4°180.0°
C17C16C21N81.3°0.0°
C17C16C21C15176.9°180.0°
C16C17C20H12110.7°25.4°
C16C17C20H1316.5°105.4°
C16C17C18H2216.7°105.4°
C16C17C18H23110.3°25.3°
N7C16C21N8179.0°180.0°
N7C16C21C150.8°0.0°
C16N7N6C153.3°0.0°
N7C16C17H1115.5°170.3°
C16N7N6H21176.8°180.0°
C21C16N7N61.4°0.0°
C16C21N8C15178.0°180.0°
C16C21N8C3178.5°179.8°
C16C21C15N62.7°0.0°
C16C21C15C4178.4°180.0°
C21C16C17H11167.0°9.6°
N7N6C15C213.6°0.0°
N7N6C15H21180.0°180.0°
N7N6C15C4177.7°180.0°
C21N8C3S1176.9°179.7°
N8C21C15N6178.9°180.0°
C21N8C3N22.0°0.1°
N8C21C15C40.1°0.0°
C3N8C21C150.5°0.2°
N8C3S1N2175.6°179.9°
N8C3S1C2172.8°179.9°
N8C3N2C44.8°0.1°
C21C15N6C4178.7°180.0°
C21C15C4N22.9°0.2°
C21C15C4N3178.3°180.0°
C21C15N6H21176.4°180.0°
S1C3N2C4179.7°180.0°
C3S1C2C173.7°180.0°
C3S1C2H16166.1°60.0°
C3S1C2H1746.5°60.0°
C2S1C3N211.6°0.0°
S1C2C1N168.7°180.0°
S1C2C1H16120.2°120.0°
S1C2C1H17120.2°120.0°
S1C2C1H1452.2°60.0°
S1C2C1H15170.4°59.9°
S1C2H16H17119.3°120.0°
N6C15C4N2175.7°179.7°
N6C15C4N33.1°0.0°
C3N2C4C154.9°0.3°
C3N2C4N3176.3°180.0°
C15C4N2N3178.8°179.7°
C15C4N3C5162.6°180.0°
C15C4N3H475.4°0.0°
C4C15N6H212.3°0.0°
N1C1C2H14120.9°120.0°
N1C1C2H15120.9°120.1°
C1N1H1H2120.0°124.0°
N1C1H14H15117.2°120.0°
N1C1C2H1651.5°60.0°
N1C1C2H17171.1°60.0°
N2C4N3C518.6°0.3°
N2C4N3H4103.4°179.7°
C4N3C5H4122.0°180.0°
C4N3C5C690.5°180.0°
C4N3C5H5149.3°60.0°
C4N3C5H629.7°60.0°
C2C1N1H1180.0°56.0°
C2C1N1H260.0°180.0°
C2C1H14H15117.1°120.0°
C1C2H16H17119.4°120.0°
N3C5C6H5120.2°120.1°
N3C5C6H6120.2°120.0°
N3C5C6C7125.1°90.0°
N3C5C6C1457.6°90.3°
N3C5H5H6119.3°120.0°
C5C6C7C14177.4°179.7°
C5C6C7C8179.9°180.0°
C5C6C14C13178.1°179.8°
C6C5N3H431.5°0.0°
C6C5H5H6119.4°120.0°
C5C6C7H70.1°0.0°
C5C6C14H201.9°0.0°
C6C7C8H7180.0°180.0°
C7C6C14C130.8°0.6°
C6C7C8C93.9°0.0°
C7C6C5H5114.7°30.0°
C7C6C5H64.9°150.0°
C6C7C8H8176.1°179.9°
C7C6C14H20179.3°179.7°
C14C6C7C82.7°0.3°
C6C14C13H20180.0°179.7°
C6C14C13C90.1°0.5°
C14C6C5H562.7°149.7°
C14C6C5H6177.8°29.7°
C14C6C7H7177.3°179.7°
C6C14C13H10179.9°179.7°
C7C8C9H8180.0°179.9°
C7C8C9C133.2°0.1°
C7C8C9N4179.6°180.0°
C14C13C9C81.3°0.2°
C14C13C9H10180.0°179.8°
C14C13C9N4177.7°179.8°
C8C9C13N4176.4°179.9°
C8C9N4N518.6°0.1°
C8C9N4C10167.3°180.0°
C9C8C7H7176.1°180.0°
C8C9C13H10178.7°180.0°
C13C9N4N5157.9°180.0°
C13C9N4C1016.3°0.1°
C13C9C8H8176.8°180.0°
C9C13C14H20179.9°179.8°
C9N4N5C10175.1°180.0°
C9N4N5C12177.5°179.7°
C9N4C10C11177.3°180.0°
N4C9C8H80.4°0.1°
C9N4C10H92.7°0.3°
N4C9C13H102.3°0.1°
N4N5C12C111.1°0.4°
N5N4C10C112.8°0.0°
N5N4C10H9177.2°179.7°
N4N5C12H19178.9°180.0°
C12N5N4C102.4°0.3°
N5C12C11H19180.0°179.6°
N5C12C11C100.5°0.5°
N5C12C11H18179.5°179.6°
N4C10C11C121.9°0.3°
N4C10C11H9180.0°179.7°
N4C10C11H18178.1°179.7°
C12C11C10H18180.0°180.0°
C12C11C10H9178.0°180.0°
C10C11C12H19179.5°180.0°
H1N1C1H1459.1°176.0°
H1N1C1H1559.1°64.0°
H2N1C1H1460.9°60.0°
H2N1C1H15179.1°59.9°
H4N3C5H588.7°120.0°
H4N3C5H6151.7°120.0°
H7C7C8H83.9°0.1°
H9C10C11H182.0°0.1°
H10C13C14H200.1°0.0°
H11C17C20H1217.7°156.3°
H11C17C20H13144.9°25.5°
H11C17C18H22145.2°25.4°
H11C17C18H2318.3°156.2°
H12C20C19H24114.7°25.4°
H12C20C19H2512.3°156.3°
H13C20C19H2412.4°105.5°
H13C20C19H25139.5°25.4°
H14C1C2H16172.4°179.9°
H14C1C2H1768.0°60.0°
H15C1C2H1669.4°60.0°
H15C1C2H1750.2°179.9°
H18C11C12H190.5°0.0°
H22C18C19H2412.8°105.5°
H22C18C19H25139.8°25.3°
H23C18C19H24114.1°25.5°
H23C18C19H2512.9°156.3°

246704

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