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A1AME

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1sing1.53Å1.52Å
C1Nsing1.46Å1.47Å
NC2sing1.35Å1.34Å
OC2doub1.22Å1.24Å
C2C3sing1.47Å1.48Å
C3C4doub1.36Å1.37ÅAromatic
C4C5sing1.41Å1.44ÅAromatic
C5C6doub1.41Å1.42ÅAromatic
C6N1sing1.38Å1.36Å
N1C7sing1.46Å1.45Å
C7C8sing1.51Å1.52Å
C8C9doub1.38Å1.38ÅAromatic
C9C10sing1.38Å1.38ÅAromatic
C10C11doub1.39Å1.39ÅAromatic
C11C12sing1.38Å1.40ÅAromatic
C13C12doub1.39Å1.39ÅAromatic
C8C13sing1.38Å1.39ÅAromatic
C12Ssing1.77Å1.73Å
O1Sdoub1.42Å1.44Å
SO2doub1.42Å1.43Å
C14Ssing1.82Å1.76Å
C15C14sing1.54Å1.53Å
C16C15sing1.52Å1.52Å
C11C16sing1.50Å1.51Å
C17C7sing1.53Å1.55Å
C18C17sing1.53Å1.54Å
C19C17sing1.53Å1.52Å
N2C6sing1.33Å1.35ÅAromatic
C20N2doub1.32Å1.34ÅAromatic
N3C20sing1.32Å1.34ÅAromatic
C21N3doub1.33Å1.35ÅAromatic
C5C21sing1.41Å1.40ÅAromatic
N4C21sing1.37Å1.38ÅAromatic
C3N4sing1.38Å1.39ÅAromatic
N1H9sing0.97Å1.00Å
C4H8sing1.08Å1.08Å
C7Hsing1.09Å1.10Å
C10H11sing1.08Å1.08Å
C13H12sing1.08Å1.08Å
C15H15sing1.09Å1.10Å
C15H16sing1.09Å1.10Å
C17H19sing1.09Å1.10Å
C20H26sing1.08Å1.08Å
C14H13sing1.09Å1.10Å
C14H14sing1.09Å1.10Å
C16H17sing1.09Å1.10Å
C16H18sing1.09Å1.10Å
C9H10sing1.08Å1.08Å
C19H24sing1.09Å1.10Å
C19H23sing1.09Å1.10Å
C19H25sing1.09Å1.10Å
C18H21sing1.09Å1.10Å
C18H22sing1.09Å1.10Å
C18H20sing1.09Å1.10Å
N4H1sing0.97Å1.00Å
NH7sing0.97Å1.00Å
C1H6sing1.09Å1.10Å
C1H5sing1.09Å1.10Å
CH4sing1.09Å1.10Å
CH3sing1.09Å1.10Å
CH2sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CC1N111.5°109.5°
CC1H6109.0°109.5°
CC1H5109.0°109.5°
C1CH4109.5°109.5°
C1CH3109.5°109.5°
C1CH2109.5°109.5°
C1NC2121.2°120.0°
C1NH7119.4°120.0°
NC1H6109.0°109.4°
NC1H5109.0°109.5°
NC2O122.2°120.0°
NC2C3117.3°120.0°
C2NH7119.4°120.0°
OC2C3120.5°120.0°
C2C3C4128.6°125.5°
C2C3N4122.1°125.5°
C3C4C5106.9°107.6°
C4C3N4109.3°109.0°
C3C4H8126.6°126.2°
C4C5C6137.2°134.5°
C4C5C21107.0°107.1°
C5C4H8126.5°126.2°
C5C6N1121.3°120.8°
C5C6N2119.8°118.4°
C6C5C21115.7°118.4°
C6N1C7125.0°120.0°
N1C6N2119.0°120.8°
C6N1H9105.4°120.0°
N1C7C8113.0°109.4°
N1C7C17110.3°109.5°
C7N1H9105.5°120.0°
N1C7H107.4°109.5°
C7C8C9120.7°120.3°
C7C8C13121.0°120.3°
C8C7C17112.8°109.5°
C8C7H106.6°109.4°
C8C9C10121.0°119.9°
C9C8C13118.3°119.4°
C8C9H10119.5°120.1°
C9C10C11121.9°120.9°
C9C10H11119.0°119.6°
C10C9H10119.5°120.0°
C10C11C12116.6°118.8°
C10C11C16119.8°116.6°
C11C10H11119.1°119.5°
C11C12C13121.6°120.3°
C11C12S123.1°121.8°
C12C11C16123.6°124.6°
C12C13C8120.6°120.6°
C13C12S115.0°117.9°
C12C13H12119.7°119.7°
C8C13H12119.7°119.7°
C12SO1108.3°104.4°
C12SO2108.4°104.4°
C12SC14103.3°103.7°
O1SO2117.7°121.1°
O1SC14109.8°110.8°
O2SC14108.4°110.7°
SC14C15110.6°107.1°
SC14H13109.2°110.0°
SC14H14109.2°109.9°
C14C15C16110.5°109.2°
C14C15H15109.2°109.5°
C14C15H16109.2°109.5°
C15C14H13109.2°109.9°
C15C14H14109.2°109.9°
C15C16C11113.4°113.9°
C16C15H15109.2°109.3°
C16C15H16109.2°109.7°
C15C16H17108.5°108.6°
C15C16H18108.5°108.6°
C11C16H17108.5°108.8°
C11C16H18108.5°108.2°
C7C17C18111.3°109.4°
C7C17C19111.7°109.5°
C17C7H106.3°109.5°
C7C17H19107.6°109.5°
C18C17C19110.4°109.5°
C18C17H19107.7°109.4°
C17C18H21109.5°109.5°
C17C18H22109.5°109.5°
C17C18H20109.4°109.4°
C19C17H19107.9°109.5°
C17C19H24109.5°109.4°
C17C19H23109.5°109.5°
C17C19H25109.5°109.5°
C6N2C20117.3°121.1°
N2C20N3128.9°122.8°
N2C20H26115.6°118.6°
C20N3C21112.6°120.8°
N3C20H26115.5°118.6°
N3C21C5125.5°118.6°
N3C21N4126.2°134.0°
C5C21N4108.2°107.4°
C21N4C3108.6°108.9°
C21N4H1125.7°125.6°
C3N4H1125.7°125.5°
H15C15H16109.5°109.6°
H13C14H14109.5°110.0°
H17C16H18109.5°108.6°
H24C19H23109.5°109.5°
H24C19H25109.4°109.5°
H23C19H25109.5°109.5°
H21C18H22109.5°109.4°
H21C18H20109.5°109.5°
H22C18H20109.4°109.5°
H6C1H5109.5°109.5°
H4CH3109.4°109.5°
H4CH2109.5°109.4°
H3CH2109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CC1NH6120.3°120.0°
CC1NH5120.3°120.0°
CC1NC289.0°180.0°
CC1NH791.0°0.1°
CC1H6H5119.1°120.0°
C1CH4H3120.0°120.0°
C1CH4H2120.0°120.0°
C1CH3H2120.0°120.0°
C1NC2H7180.0°179.9°
C1NC2O0.7°0.1°
C1NC2C3178.6°180.0°
NC1H6H5119.1°120.0°
NC1CH4180.0°180.0°
NC1CH360.0°60.0°
NC1CH260.0°60.0°
NC2OC3179.3°180.0°
NC2C3C4176.6°180.0°
NC2C3N42.0°0.0°
C2NC1H631.3°60.1°
C2NC1H5150.7°60.0°
OC2C3C42.7°0.0°
OC2C3N4178.7°180.0°
OC2NH7179.2°179.9°
C2C3C4N4178.7°180.0°
C2C3C4C5178.2°180.0°
C2C3N4C21178.9°180.0°
C2C3C4H81.9°0.1°
C2C3N4H11.0°0.0°
C3C2NH71.4°0.1°
C3C4C5H8180.0°179.9°
C3C4C5C6174.4°180.0°
C3C4C5C211.0°0.0°
C4C3N4C210.1°0.1°
C4C3N4H1179.9°180.0°
C4C5C6C21175.2°179.9°
C4C5C6N10.5°0.0°
C4C5C6N2178.1°180.0°
C4C5C21N3178.3°180.0°
C4C5C21N41.1°0.1°
C5C4C3N40.6°0.0°
C5C6N1N2178.6°180.0°
C5C6N1C7173.9°180.0°
C5C6N2C201.3°0.0°
C6C5C21N31.7°0.1°
C6C5C21N4175.5°180.0°
C5C6N1H964.0°0.3°
C6C5C4H85.6°0.1°
C6N1C7H9122.1°179.7°
C6N1C7C898.0°155.3°
C6N1C7C17134.6°84.7°
N1C6N2C20177.3°180.0°
N1C6C5C21175.7°179.9°
C6N1C7H19.2°35.3°
N1C7C8C17126.0°120.0°
N1C7C8H117.7°120.0°
N1C7C8C9120.7°40.1°
N1C7C8C1356.9°140.3°
N1C7C17H116.1°120.1°
N1C7C17C1859.8°60.0°
N1C7C17C19176.3°180.0°
C7N1C6N27.5°0.0°
N1C7C17H1958.0°59.9°
C7C8C9C13177.7°179.6°
C7C8C9C10178.3°179.5°
C7C8C13C12178.3°180.0°
C8C7C17H116.5°120.0°
C8C7C17C18172.8°180.0°
C8C7C17C1948.9°60.0°
C8C7N1H9139.9°25.0°
C7C8C13H121.7°0.1°
C8C7C17H1969.4°60.0°
C7C8C9H101.7°0.5°
C8C9C10H10180.0°180.0°
C8C9C10C110.4°0.0°
C9C8C13C120.7°0.4°
C9C8C7C17113.3°79.9°
C9C8C7H3.0°160.0°
C8C9C10H11179.6°179.7°
C9C8C13H12179.4°179.7°
C9C10C11H11180.0°179.7°
C9C10C11C121.2°0.5°
C10C9C8C130.6°0.1°
C9C10C11C16177.4°178.4°
C10C11C12C16178.6°178.8°
C10C11C12C131.2°0.9°
C10C11C12S173.4°178.2°
C10C11C16C15155.4°156.1°
C10C11C16H1784.0°34.9°
C10C11C16H1834.8°83.0°
C11C10C9H10179.7°180.0°
C11C12C13S175.0°179.2°
C11C12C13C80.3°0.9°
C11C12SO1133.0°103.0°
C11C12SO298.3°129.0°
C11C12SC1416.6°13.1°
C12C11C16C1526.0°25.0°
C12C11C10H11178.8°179.2°
C11C12C13H12179.7°179.2°
C12C11C16H1794.6°146.3°
C12C11C16H18146.6°95.9°
C12C13C8H12180.0°180.0°
C13C12SO152.1°76.2°
C13C12SO276.6°51.9°
C13C12SC14168.5°167.8°
C13C12C11C16177.4°177.9°
C8C13C12S174.7°178.3°
C13C8C7C1769.0°99.7°
C13C8C7H174.6°20.4°
C13C8C9H10179.4°179.9°
C12SO1O2123.3°117.0°
C12SO1C14112.1°111.0°
C12SO2C14111.5°111.0°
C12SC14C1545.2°45.0°
SC12C11C168.0°3.0°
SC12C13H125.3°1.6°
C12SC14H1375.0°74.4°
C12SC14H14165.4°164.3°
O1SO2C14125.3°132.0°
O1SC14C15160.5°66.5°
O1SC14H1340.3°174.1°
O1SC14H1479.3°52.9°
O2SC14C1569.7°156.3°
O2SC14H13170.1°37.0°
O2SC14H1450.4°84.3°
SC14C15H13120.2°119.4°
SC14C15H14120.2°119.4°
SC14C15C1668.4°71.2°
SC14C15H15171.5°48.5°
SC14C15H1651.7°168.8°
SC14H13H14119.5°121.2°
C14C15C16H15120.2°119.8°
C14C15C16H16120.1°119.9°
C14C15C16C1156.9°61.4°
C14C15H15H16119.5°120.1°
C15C14H13H14119.5°121.2°
C14C15C16H1763.7°177.1°
C14C15C16H18177.4°59.2°
C15C16C11H17120.6°121.3°
C15C16C11H18120.6°120.9°
C16C15H15H16119.5°120.2°
C16C15C14H1351.8°48.2°
C16C15C14H14171.4°169.4°
C15C16H17H18118.2°117.9°
C16C11C10H112.6°1.9°
C11C16C15H15177.0°58.4°
C11C16C15H1663.3°178.6°
C11C16H17H18118.2°117.6°
C7C17C18C19124.6°120.0°
C7C17C18H19117.7°120.0°
C7C17C19H19118.1°120.1°
C17C7N1H912.6°95.0°
C7C17C19H24180.0°60.0°
C7C17C19H2360.0°180.0°
C7C17C19H2560.0°60.0°
C7C17C18H21180.0°60.0°
C7C17C18H2260.0°180.0°
C7C17C18H2060.0°60.0°
C18C17C19H19117.5°119.9°
C18C17C7H56.4°60.0°
C18C17C19H2455.6°60.0°
C18C17C19H23175.6°60.0°
C18C17C19H2564.4°180.0°
C17C18H21H22120.0°120.0°
C17C18H21H20120.0°120.0°
C17C18H22H20119.9°120.0°
C19C17C7H67.6°60.0°
C17C19H24H23120.0°120.0°
C17C19H24H25120.0°120.0°
C17C19H23H25120.0°120.1°
C19C17C18H2155.3°179.9°
C19C17C18H2264.7°60.0°
C19C17C18H20175.4°60.0°
C6N2C20N32.1°0.0°
N2C6C5C212.9°0.1°
N2C6N1H9114.6°179.7°
C6N2C20H26177.9°180.0°
N2C20N3H26180.0°180.0°
N2C20N3C213.2°0.0°
C20N3C21C51.1°0.0°
C20N3C21N4177.8°179.9°
N3C21C5N4177.2°179.9°
N3C21N4C3177.9°180.0°
C21N3C20H26176.8°180.0°
N3C21N4H12.0°0.1°
C5C21N4C30.8°0.1°
C21C5C4H8178.9°179.8°
C5C21N4H1179.2°180.0°
C21N4C3H1180.0°179.9°
N4C3C4H8179.4°179.9°
H9N1C7H102.9°145.0°
HC7C17H19174.2°NaN°
H11C10C9H100.3°0.3°
H15C15C14H1368.4°167.9°
H15C15C14H1451.3°70.9°
H15C15C16H1756.4°63.0°
H15C15C16H1862.4°179.1°
H16C15C14H13171.9°71.8°
H16C15C14H1468.4°49.4°
H16C15C16H17176.2°57.2°
H16C15C16H1857.3°60.7°
H19C17C19H2461.9°179.9°
H19C17C19H2358.1°60.0°
H19C17C19H25178.1°60.1°
H19C17C18H2162.3°60.0°
H19C17C18H22177.7°60.0°
H19C17C18H2057.8°180.0°
H24C19H23H25120.0°120.0°
H21C18H22H20120.0°120.1°
H7NC1H6148.7°120.1°
H7NC1H529.3°119.9°
H6C1CH459.7°60.0°
H6C1CH360.3°180.0°
H6C1CH2179.7°60.0°
H5C1CH459.7°60.0°
H5C1CH3179.7°60.0°
H5C1CH260.3°180.0°
H4CH3H2120.0°119.9°

225946

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