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A2Y

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
ON1sing1.21Å1.32ÅAromatic
OC11sing1.35Å1.24ÅAromatic
SC1sing1.76Å1.46ÅAromatic
SC12sing1.76Å1.48ÅAromatic
C1C2doub1.34Å1.34ÅAromatic
C1H1sing1.08Å1.08Å
N1C9doub1.30Å1.26ÅAromatic
C2C3sing1.38Å1.34ÅAromatic
C2H2sing1.08Å1.08Å
N2C5sing1.47Å1.47Å
N2C10sing1.47Å1.48Å
N2H1N2sing1.01Å1.00Å
N2H2N2sing1.01Å1.00Å
C3C12doub1.36Å1.37ÅAromatic
C3H3sing1.08Å1.08Å
C4C9sing1.41Å1.34ÅAromatic
C4C11doub1.37Å1.37ÅAromatic
C4H44sing1.08Å1.08Å
C5C9sing1.51Å1.50Å
C5H15sing1.09Å1.10Å
C5H25sing1.09Å1.10Å
C10C61sing1.53Å1.56Å
C10C62sing1.53Å1.55Å
C10C63sing1.53Å1.56Å
C11C12sing1.47Å1.39Å
C61C71sing1.53Å1.55Å
C61H161sing1.09Å1.10Å
C61H261sing1.09Å1.10Å
C62C72sing1.53Å1.54Å
C62H362sing1.09Å1.10Å
C62H462sing1.09Å1.10Å
C63C73sing1.53Å1.54Å
C63H563sing1.09Å1.10Å
C63H663sing1.09Å1.10Å
C71C81sing1.53Å1.53Å
C71C83sing1.53Å1.53Å
C71H171sing1.09Å1.10Å
C72C81sing1.53Å1.53Å
C72C82sing1.53Å1.53Å
C72H272sing1.09Å1.10Å
C73C82sing1.53Å1.53Å
C73C83sing1.53Å1.53Å
C73H373sing1.09Å1.10Å
C81H181sing1.09Å1.10Å
C81H281sing1.09Å1.10Å
C82H382sing1.09Å1.10Å
C82H482sing1.09Å1.10Å
C83H583sing1.09Å1.10Å
C83H683sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N1OC11108.8°111.4°
ON1C9110.3°112.0°
OC11C4108.1°106.1°
OC11C12122.9°127.0°
C1SC1298.9°91.1°
SC1C2112.7°109.9°
SC1H1123.6°125.0°
SC12C3109.5°109.3°
SC12C11122.0°125.4°
C2C1H1123.6°125.1°
C1C2C3108.5°115.2°
C1C2H2125.7°122.4°
N1C9C4107.1°106.7°
N1C9C5123.8°126.7°
C3C2H2125.7°122.5°
C2C3C12110.3°114.4°
C2C3H3124.9°122.8°
C5N2C10119.2°109.5°
C5N2H1N2107.0°109.5°
C5N2H2N2107.0°109.5°
N2C5C9108.4°109.5°
N2C5H15109.7°109.4°
N2C5H25109.7°109.4°
C10N2H1N2107.0°109.5°
C10N2H2N2107.0°109.4°
N2C10C61112.2°109.5°
N2C10C62110.5°109.4°
N2C10C63112.5°109.5°
H1N2N2H2N2109.5°109.4°
C12C3H3124.9°122.8°
C3C12C11128.5°125.3°
C9C4C11105.7°103.9°
C9C4H44127.1°128.1°
C4C9C5129.0°126.7°
C11C4H44127.2°128.1°
C4C11C12129.0°126.9°
C9C5H15109.8°109.5°
C9C5H25109.8°109.5°
H15C5H25109.5°109.5°
C61C10C62106.8°109.5°
C61C10C63107.5°109.5°
C10C61C71111.3°109.4°
C10C61H161109.0°109.5°
C10C61H261109.0°109.5°
C62C10C63107.0°109.5°
C10C62C72111.7°109.5°
C10C62H362108.9°109.5°
C10C62H462108.9°109.5°
C10C63C73111.5°109.4°
C10C63H563109.0°109.5°
C10C63H663109.0°109.5°
C71C61H161109.0°109.5°
C71C61H261109.0°109.5°
C61C71C81110.0°109.5°
C61C71C83110.0°109.5°
C61C71H171109.1°109.5°
H161C61H261109.4°109.5°
C72C62H362108.9°109.4°
C72C62H462108.9°109.5°
C62C72C81110.0°109.5°
C62C72C82110.2°109.5°
C62C72H272109.0°109.5°
H362C62H462109.4°109.5°
C73C63H563109.0°109.5°
C73C63H663109.0°109.4°
C63C73C82110.0°109.5°
C63C73C83109.8°109.5°
C63C73H373109.1°109.5°
H563C63H663109.5°109.5°
C81C71C83109.2°109.4°
C81C71H171109.3°109.4°
C71C81C72108.9°109.5°
C71C81H181109.6°109.5°
C71C81H281109.6°109.5°
C83C71H171109.2°109.5°
C71C83C73108.9°109.5°
C71C83H583109.6°109.5°
C71C83H683109.6°109.4°
C81C72C82109.1°109.4°
C81C72H272109.2°109.5°
C72C81H181109.6°109.5°
C72C81H281109.6°109.5°
C82C72H272109.2°109.5°
C72C82C73108.8°109.5°
C72C82H382109.6°109.4°
C72C82H482109.6°109.5°
C82C73C83109.4°109.4°
C82C73H373109.2°109.5°
C73C82H382109.7°109.4°
C73C82H482109.6°109.5°
C83C73H373109.3°109.5°
C73C83H583109.6°109.5°
C73C83H683109.6°109.5°
H181C81H281109.5°109.5°
H382C82H482109.5°109.4°
H583C83H683109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
ON1C9C40.0°0.0°
N1OC11C40.1°0.0°
ON1C9C5180.0°180.0°
N1OC11C12179.9°180.0°
OC11C12S10.8°180.0°
C11ON1C90.0°0.0°
OC11C12C3169.2°0.1°
OC11C4C90.1°0.0°
OC11C4C12179.9°179.9°
OC11C4H44179.9°180.0°
SC1C2H1180.0°180.0°
SC1C2C30.1°0.0°
SC1C2H2179.9°180.0°
C1SC12C30.1°0.0°
C1SC12C11179.9°180.0°
C12SC1C20.1°0.0°
C12SC1H1179.9°180.0°
SC12C3C20.0°0.0°
SC12C3C11180.0°179.9°
SC12C3H3180.0°180.0°
SC12C11C4169.2°0.0°
C1C2C3H2180.0°180.0°
C1C2C3C120.0°0.0°
C1C2C3H3180.0°180.0°
H1C1C2C3179.9°180.0°
H1C1C2H20.1°0.0°
N1C9C5N2119.0°85.0°
N1C9C4C5180.0°180.0°
N1C9C4C110.0°0.0°
N1C9C4H44179.9°180.0°
N1C9C5H150.8°155.0°
N1C9C5H25121.2°35.0°
C2C3C12H3180.0°180.0°
C2C3C12C11179.9°180.0°
H2C2C3C12180.0°180.0°
H2C2C3H30.0°0.0°
C5N2C10H1N2121.4°120.1°
C5N2C10H2N2121.4°120.0°
C5N2H1N2H2N2115.6°120.0°
N2C5C9C461.0°95.0°
N2C5C9H15119.8°120.0°
N2C5C9H25119.8°120.0°
N2C5H15H25120.5°120.0°
C5N2C10C6162.1°180.0°
C5N2C10C62178.8°60.0°
C5N2C10C6359.2°59.9°
C10N2H1N2H2N2115.6°119.9°
C10N2C5C9170.2°180.0°
C10N2C5H1550.3°60.0°
C10N2C5H2570.0°60.0°
N2C10C61C62121.3°119.9°
N2C10C61C63124.2°120.0°
N2C10C62C63122.8°119.9°
N2C10C61C71179.0°180.0°
N2C10C61H16158.7°60.0°
N2C10C61H26160.7°60.0°
N2C10C62C72179.9°180.0°
N2C10C62H36259.6°60.0°
N2C10C62H46259.7°60.0°
N2C10C63C73178.9°179.9°
N2C10C63H56360.8°60.1°
N2C10C63H66358.6°60.0°
H1N2N2C5C948.8°59.9°
H1N2N2C5H1571.0°60.1°
H1N2N2C5H25168.6°179.9°
H1N2N2C10C61176.5°59.9°
H1N2N2C10C6257.4°60.1°
H1N2N2C10C6362.1°180.0°
H2N2N2C5C968.4°60.0°
H2N2N2C5H15171.7°180.0°
H2N2N2C5H2551.4°60.0°
H2N2N2C10C6159.3°60.0°
H2N2N2C10C6259.8°180.0°
H2N2N2C10C63179.4°60.1°
C3C12C11C410.9°180.0°
H3C3C12C110.1°0.0°
C9C4C11H44180.0°179.9°
C4C9C5H15179.2°25.0°
C4C9C5H2558.8°145.0°
C9C4C11C12179.9°180.0°
C11C4C9C5180.0°180.0°
H44C4C9C50.0°0.0°
H44C4C11C120.1°0.1°
C9C5H15H25120.5°120.0°
C61C10C62C63114.9°120.1°
C10C61C71H161120.3°120.0°
C10C61C71H261120.3°120.0°
C10C61H161H261119.1°120.0°
C61C10C62C7257.8°60.0°
C61C10C62H362178.1°180.0°
C61C10C62H46262.6°60.0°
C61C10C63C7357.1°60.0°
C61C10C63H56363.2°60.0°
C61C10C63H663177.3°180.0°
C10C61C71C8160.4°60.0°
C10C61C71C8359.9°60.0°
C10C61C71H171179.7°180.0°
C62C10C61C7157.7°60.0°
C62C10C61H16162.6°59.9°
C62C10C61H261178.0°180.0°
C10C62C72H362120.4°120.0°
C10C62C72H462120.3°120.0°
C10C62H362H462119.0°120.0°
C62C10C63C7357.4°60.0°
C62C10C63H563177.7°180.0°
C62C10C63H66362.9°59.9°
C10C62C72C8160.3°60.0°
C10C62C72C8260.0°60.0°
C10C62C72H272179.9°180.0°
C63C10C61C7156.8°60.0°
C63C10C61H161177.1°180.0°
C63C10C61H26163.5°60.0°
C63C10C62C7257.1°60.0°
C63C10C62H36263.2°59.9°
C63C10C62H462177.5°180.0°
C10C63C73H563120.3°120.0°
C10C63C73H663120.3°120.0°
C10C63H563H663119.1°120.0°
C10C63C73C8260.4°60.0°
C10C63C73C8360.1°60.0°
C10C63C73H373179.8°180.0°
C71C61H161H261119.2°120.0°
C61C71C81C83120.8°120.0°
C61C71C81H171119.8°120.0°
C61C71C83H171119.7°120.0°
C61C71C81C7259.6°60.0°
C61C71C83C7360.2°60.0°
C61C71C81H18160.3°60.0°
C61C71C81H281179.5°180.0°
C61C71C83H583179.9°180.0°
C61C71C83H68359.7°60.0°
H161C61C71C8159.9°60.0°
H161C61C71C83179.8°179.9°
H161C61C71H17160.0°60.0°
H261C61C71C81179.3°180.0°
H261C61C71C8360.4°60.0°
H261C61C71H17159.4°60.0°
C72C62H362H462119.0°120.0°
C62C72C81C7159.4°60.0°
C62C72C81C82121.0°120.0°
C62C72C81H272119.7°120.0°
C62C72C82H272119.8°120.0°
C62C72C82C7359.6°60.0°
C62C72C81H18160.5°60.0°
C62C72C81H281179.4°180.0°
C62C72C82H38260.3°60.0°
C62C72C82H482179.5°180.0°
H362C62C72C81179.3°180.0°
H362C62C72C8260.3°60.0°
H362C62C72H27259.5°60.0°
H462C62C72C8160.0°60.0°
H462C62C72C82179.6°180.0°
H462C62C72H27259.8°60.0°
C73C63H563H663119.1°120.0°
C63C73C83C7160.3°60.0°
C63C73C82C7259.9°60.0°
C63C73C82C83120.7°120.0°
C63C73C82H373119.7°120.0°
C63C73C83H373119.6°120.0°
C63C73C82H38260.1°60.0°
C63C73C82H482179.7°180.0°
C63C73C83H583179.8°180.0°
C63C73C83H68359.7°60.0°
H563C63C73C82179.3°180.0°
H563C63C73C8360.2°60.0°
H563C63C73H37359.5°60.0°
H663C63C73C8259.9°60.0°
H663C63C73C83179.6°180.0°
H663C63C73H37359.9°60.0°
C81C71C83H171119.4°119.9°
C71C81C72H181119.9°120.0°
C71C81C72H281119.9°120.0°
C71C81C72C8261.6°60.0°
C71C81C72H272179.1°180.0°
C81C71C83C7360.6°60.0°
C71C81H181H281120.3°120.0°
C81C71C83H58359.3°60.0°
C81C71C83H683179.5°180.0°
C83C71C81C7261.2°60.0°
C71C83C73C8260.5°60.0°
C71C83C73H583119.9°120.0°
C71C83C73H683119.9°120.0°
C71C83C73H373179.9°180.0°
C83C71C81H181178.9°180.0°
C83C71C81H28158.7°60.0°
C71C83H583H683120.3°120.0°
H171C71C81C72179.4°180.0°
H171C71C83C73180.0°180.0°
H171C71C81H18159.5°60.0°
H171C71C81H28160.7°60.0°
H171C71C83H58360.1°60.0°
H171C71C83H68360.0°60.0°
C81C72C82H272119.3°120.0°
C81C72C82C7361.3°60.0°
C72C81H181H281120.3°120.0°
C81C72C82H382178.8°180.0°
C81C72C82H48258.6°60.0°
C72C82C73H382119.9°120.0°
C72C82C73H482119.9°120.1°
C72C82C73C8360.9°60.0°
C72C82C73H373179.6°180.0°
C82C72C81H181178.5°180.0°
C82C72C81H28158.4°60.0°
C72C82H382H482120.3°120.0°
H272C72C82C73179.4°180.0°
H272C72C81H18159.2°60.0°
H272C72C81H28161.0°60.0°
H272C72C82H38259.4°60.0°
H272C72C82H48260.8°59.9°
C82C73C83H373119.6°120.0°
C73C82H382H482120.3°120.0°
C82C73C83H58359.4°60.0°
C82C73C83H683179.5°180.0°
C83C73C82H382179.2°180.0°
C83C73C82H48259.0°60.0°
C73C83H583H683120.2°120.0°
H373C73C82H38259.7°60.0°
H373C73C82H48260.5°59.9°
H373C73C83H58360.2°60.0°
H373C73C83H68360.0°60.0°

222926

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