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A1ANX

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1sing1.53Å1.54Å
C2C1sing1.53Å1.53Å
C1C3sing1.53Å1.55Å
NC3sing1.47Å1.46Å
C4Nsing1.38Å1.36Å
C4N1doub1.33Å1.37ÅAromatic
N1C5sing1.32Å1.35ÅAromatic
C5N2doub1.32Å1.33ÅAromatic
N2C6sing1.33Å1.34ÅAromatic
C6N3sing1.37Å1.37ÅAromatic
N3C7sing1.38Å1.38ÅAromatic
C8C7sing1.48Å1.48Å
C8C9sing1.41Å1.40ÅAromatic
C9N4doub1.31Å1.33ÅAromatic
N4N5sing1.40Å1.34ÅAromatic
N5C10sing1.35Å1.34ÅAromatic
C10C8doub1.37Å1.39ÅAromatic
C7C11doub1.36Å1.38ÅAromatic
C11C12sing1.46Å1.43ÅAromatic
C12C4sing1.41Å1.42ÅAromatic
C6C12doub1.41Å1.39ÅAromatic
C3C13sing1.51Å1.52Å
C13C14doub1.38Å1.39ÅAromatic
C14C15sing1.38Å1.38ÅAromatic
C15C16doub1.39Å1.39ÅAromatic
C16C17sing1.38Å1.41ÅAromatic
C18C17doub1.39Å1.39ÅAromatic
C13C18sing1.38Å1.40ÅAromatic
C17Ssing1.77Å1.76Å
OSdoub1.42Å1.43Å
SO1doub1.42Å1.44Å
C19Ssing1.82Å1.76Å
C20C19sing1.54Å1.52Å
C21C20sing1.52Å1.52Å
C16C21sing1.50Å1.51Å
N3H1sing0.97Å1.00Å
C5H11sing1.08Å1.08Å
C10H13sing1.08Å1.08Å
C15H16sing1.08Å1.08Å
C20H21sing1.09Å1.10Å
C20H20sing1.09Å1.10Å
C21H22sing1.09Å1.10Å
C21H23sing1.09Å1.10Å
C19H18sing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C14H15sing1.08Å1.08Å
C18H17sing1.08Å1.08Å
C3Hsing1.09Å1.10Å
C1H6sing1.09Å1.10Å
C2H9sing1.09Å1.10Å
C2H7sing1.09Å1.10Å
C2H8sing1.09Å1.10Å
CH5sing1.09Å1.10Å
CH4sing1.09Å1.10Å
CH3sing1.09Å1.10Å
NH10sing0.97Å1.00Å
C11H14sing1.08Å1.08Å
N5H2sing0.97Å1.00Å
C9H12sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CC1C2110.4°109.4°
CC1C3110.9°109.5°
CC1H6107.7°109.4°
C1CH5109.5°109.5°
C1CH4109.5°109.5°
C1CH3109.5°109.5°
C2C1C3112.1°109.5°
C2C1H6107.9°109.5°
C1C2H9109.5°109.4°
C1C2H7109.5°109.5°
C1C2H8109.5°109.4°
C1C3N110.2°109.4°
C1C3C13113.3°109.5°
C1C3H107.0°109.5°
C3C1H6107.6°109.5°
C3NC4125.4°120.0°
NC3C13110.9°109.4°
NC3H108.0°109.5°
C3NH10105.3°120.0°
NC4N1119.7°120.9°
NC4C12120.7°120.9°
C4NH10105.4°120.0°
C4N1C5116.4°121.1°
N1C4C12119.6°118.3°
N1C5N2129.3°122.7°
N1C5H11115.3°118.7°
C5N2C6112.8°120.7°
N2C5H11115.4°118.6°
N2C6N3126.0°134.0°
N2C6C12125.5°118.6°
C6N3C7108.6°109.9°
N3C6C12108.5°107.4°
C6N3H1125.7°125.1°
N3C7C8121.0°125.2°
N3C7C11109.2°109.5°
C7N3H1125.7°125.0°
C7C8C9127.3°126.2°
C7C8C10127.4°126.3°
C8C7C11129.8°125.3°
C8C9N4110.1°108.1°
C9C8C10105.2°107.5°
C8C9H12124.9°126.0°
C9N4N5105.9°108.6°
N4C9H12125.0°125.9°
N4N5C10112.5°108.2°
N4N5H2123.7°125.9°
N5C10C8106.2°107.6°
N5C10H13126.9°126.2°
C10N5H2123.8°125.9°
C8C10H13126.9°126.2°
C7C11C12106.7°106.8°
C7C11H14126.6°126.6°
C11C12C4136.6°134.9°
C11C12C6107.0°106.4°
C12C11H14126.7°126.6°
C4C12C6116.3°118.6°
C3C13C14122.1°120.3°
C3C13C18119.8°120.2°
C13C3H107.2°109.5°
C13C14C15120.8°119.9°
C14C13C18118.1°119.4°
C13C14H15119.6°120.1°
C14C15C16122.5°121.0°
C14C15H16118.8°119.5°
C15C14H15119.6°120.1°
C15C16C17116.4°118.8°
C15C16C21119.6°116.5°
C16C15H16118.8°119.5°
C16C17C18121.7°120.2°
C16C17S121.0°121.9°
C17C16C21123.9°124.7°
C17C18C13120.5°120.6°
C18C17S117.1°117.8°
C17C18H17119.7°119.7°
C13C18H17119.8°119.7°
C17SO106.4°104.4°
C17SO1109.2°104.4°
C17SC19104.7°103.6°
OSO1116.5°121.1°
OSC19109.5°110.7°
O1SC19109.7°110.6°
SC19C20109.9°107.1°
SC19H18109.4°109.9°
SC19H19109.4°109.9°
C19C20C21109.8°109.1°
C19C20H21109.4°109.5°
C19C20H20109.4°109.5°
C20C19H18109.4°109.9°
C20C19H19109.4°110.0°
C20C21C16112.9°113.9°
C21C20H21109.4°109.6°
C21C20H20109.4°109.6°
C20C21H22108.6°108.6°
C20C21H23108.6°108.5°
C16C21H22108.6°108.6°
C16C21H23108.6°108.5°
H21C20H20109.5°109.6°
H22C21H23109.5°108.5°
H18C19H19109.5°110.0°
H9C2H7109.5°109.5°
H9C2H8109.5°109.5°
H7C2H8109.5°109.5°
H5CH4109.5°109.4°
H5CH3109.5°109.4°
H4CH3109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CC1C2C3124.2°120.0°
CC1C2H6117.5°119.9°
CC1C3H6117.6°120.0°
CC1C3N56.7°60.0°
CC1C3C13178.4°180.0°
CC1C3H60.5°60.0°
CC1C2H9180.0°60.0°
CC1C2H760.0°60.0°
CC1C2H860.0°180.0°
C1CH5H4120.0°120.0°
C1CH5H3120.0°120.0°
C1CH4H3120.0°120.0°
C2C1C3H6118.5°120.0°
C2C1C3N179.4°180.0°
C2C1C3C1354.4°60.1°
C2C1C3H63.5°60.0°
C1C2H9H7120.0°120.0°
C1C2H9H8120.0°120.0°
C1C2H7H8120.0°120.0°
C2C1CH5180.0°180.0°
C2C1CH460.0°60.0°
C2C1CH360.0°60.0°
C1C3NC13126.3°120.0°
C1C3NH116.5°120.0°
C1C3NC4141.9°85.0°
C1C3C13H117.8°120.1°
C1C3C13C14112.4°79.9°
C1C3C13C1868.5°100.3°
C3C1C2H955.8°60.0°
C3C1C2H764.2°180.0°
C3C1C2H8175.8°60.0°
C3C1CH555.1°60.0°
C3C1CH4175.1°180.0°
C3C1CH365.0°60.0°
C1C3NH1095.9°95.0°
C3NC4H10122.1°179.9°
C3NC4N115.0°0.0°
C3NC4C12167.6°180.0°
NC3C13H117.7°120.0°
NC3C13C14123.0°40.0°
NC3C13C1856.1°139.8°
NC3C1H660.9°60.0°
NC4N1C12177.5°180.0°
NC4N1C5176.8°179.9°
NC4C12C111.2°0.0°
NC4C12C6175.2°180.0°
C4NC3C1391.8°155.0°
C4NC3H25.4°35.0°
C4N1C5N21.9°0.1°
N1C4C12C11178.7°180.0°
N1C4C12C62.2°0.1°
C4N1C5H11178.1°180.0°
N1C4NH10137.1°179.9°
N1C5N2H11180.0°179.9°
N1C5N2C62.4°0.1°
C5N1C4C120.6°0.1°
C5N2C6N3178.8°180.0°
C5N2C6C120.4°0.0°
N2C6N3C12179.3°180.0°
N2C6N3C7179.3°180.0°
N2C6C12C11179.2°180.0°
N2C6C12C41.7°0.0°
N2C6N3H10.8°0.0°
C6N2C5H11177.6°180.0°
C6N3C7H1180.0°179.9°
C6N3C7C8178.9°179.9°
C6N3C7C110.8°0.0°
N3C6C12C111.6°0.0°
N3C6C12C4179.0°180.0°
N3C7C8C11179.6°179.9°
N3C7C8C916.3°179.9°
N3C7C8C10168.1°0.2°
N3C7C11C120.2°0.0°
C7N3C6C121.5°0.0°
N3C7C11H14179.8°180.0°
C7C8C9C10176.3°179.8°
C7C8C9N4175.2°179.8°
C7C8C10N5175.1°180.0°
C8C7C11C12179.9°179.9°
C8C7N3H11.1°0.1°
C7C8C10H134.9°0.0°
C8C7C11H140.2°0.1°
C7C8C9H124.8°0.0°
C8C9N4H12180.0°179.9°
C8C9N4N50.7°0.4°
C9C8C10N51.2°0.2°
C9C8C7C11163.3°0.0°
C9C8C10H13178.8°179.8°
C9N4N5C100.1°0.3°
N4C9C8C101.2°0.4°
C9N4N5H2179.9°179.8°
N4N5C10H2180.0°179.9°
N4N5C10C80.9°0.0°
N4N5C10H13179.1°180.0°
N5N4C9H12179.3°179.7°
N5C10C8H13180.0°180.0°
C10C8C7C1112.2°179.7°
C8C10N5H2179.2°180.0°
C10C8C9H12178.8°179.7°
C7C11C12H14180.0°180.0°
C7C11C12C4177.7°179.9°
C7C11C12C61.1°0.0°
C11C7N3H1179.2°180.0°
C11C12C4C6176.5°180.0°
C12C4NH1045.4°0.1°
C4C12C11H142.3°0.0°
C12C6N3H1178.5°179.9°
C6C12C11H14179.0°180.0°
C3C13C14C18179.1°179.8°
C3C13C14C15178.2°179.9°
C3C13C18C17176.8°179.9°
C3C13C14H151.8°0.1°
C3C13C18H173.2°0.0°
C13C3C1H664.1°60.0°
C13C3NH1030.4°24.9°
C13C14C15H15180.0°180.0°
C13C14C15C160.4°0.1°
C14C13C18C172.3°0.1°
C13C14C15H16179.6°179.9°
C14C13C18H17177.7°179.8°
C14C13C3H5.3°160.0°
C14C15C16H16180.0°179.9°
C14C15C16C170.3°0.8°
C15C14C13C180.9°0.3°
C14C15C16C21176.6°178.2°
C15C16C17C21176.1°178.9°
C15C16C17C181.2°0.9°
C15C16C17S174.8°179.0°
C15C16C21C20154.3°156.6°
C15C16C21H2285.2°35.5°
C15C16C21H2333.8°82.4°
C16C15C14H15179.6°179.8°
C16C17C18S176.2°180.0°
C16C17C18C132.5°0.5°
C16C17SO100.5°128.4°
C16C17SO1133.0°103.4°
C16C17SC1915.5°12.4°
C17C16C21C2029.7°24.5°
C17C16C15H16179.7°179.3°
C17C16C21H2290.8°145.6°
C17C16C21H23150.2°96.5°
C16C17C18H17177.5°179.5°
C17C18C13H17180.0°179.9°
C18C17SO75.7°51.6°
C18C17SO150.8°76.5°
C18C17SC19168.3°167.6°
C18C17C16C21174.9°177.9°
C13C18C17S173.7°179.5°
C18C13C14H15179.1°179.7°
C18C13C3H173.7°19.8°
C17SOO1122.1°117.1°
C17SOC19112.7°111.0°
C17SO1C19114.2°110.9°
C17SC19C2044.3°44.9°
SC17C16C219.0°2.1°
C17SC19H1875.8°74.5°
C17SC19H19164.3°164.3°
SC17C18H176.4°0.5°
OSO1C19125.2°132.0°
OSC19C2069.5°156.3°
OSC19H18170.4°37.0°
OSC19H1950.5°84.2°
O1SC19C20161.4°66.5°
O1SC19H1841.3°174.1°
O1SC19H1978.6°52.9°
SC19C20H18120.1°119.4°
SC19C20H19120.1°119.4°
SC19C20C2169.4°71.4°
SC19C20H21170.5°168.7°
SC19C20H2050.6°48.5°
SC19H18H19119.8°121.2°
C19C20C21H21120.0°119.9°
C19C20C21H20120.0°119.9°
C19C20C21C1660.7°61.4°
C19C20H21H20119.8°120.1°
C19C20C21H2259.8°177.4°
C19C20C21H23178.7°59.5°
C20C19H18H19119.8°121.2°
C20C21C16H22120.5°121.2°
C20C21C16H23120.5°121.0°
C21C20H21H20119.9°120.2°
C20C21H22H23118.4°117.9°
C21C20C19H1850.6°48.0°
C21C20C19H19170.5°169.2°
C21C16C15H163.4°1.7°
C16C21C20H21179.2°178.7°
C16C21C20H2059.3°58.4°
C16C21H22H23118.4°117.8°
H13C10N5H20.8°0.0°
H16C15C14H150.4°0.1°
H21C20C21H2260.2°57.5°
H21C20C21H2358.7°60.4°
H21C20C19H1869.4°72.0°
H21C20C19H1950.5°49.2°
H20C20C21H22179.8°62.8°
H20C20C21H2361.2°179.4°
H20C20C19H18170.7°167.9°
H20C20C19H1969.5°70.9°
HC3C1H6178.0°179.9°
HC3NH10147.6°144.9°
H6C1C2H962.5°179.9°
H6C1C2H7177.5°59.9°
H6C1C2H857.5°60.0°
H6C1CH562.4°60.0°
H6C1CH457.6°60.0°
H6C1CH3177.5°180.0°
H9C2H7H8120.0°120.1°
H5CH4H3120.0°120.0°

221716

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