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D36

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1Ssing1.81Å1.67Å
O2Sdoub1.42Å1.42Å
SN1sing1.66Å1.54Å
SO1doub1.42Å1.46Å
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C1H1Bsing1.09Å1.10Å
C2N1sing1.47Å1.48Å
N1C4sing1.39Å1.40Å
C3C2sing1.53Å1.54Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
N2C3sing1.47Å1.48Å
N2HN2sing1.01Å1.00Å
N2HN2Asing1.01Å1.00Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
C7N3sing1.40Å1.36Å
N3C8sing1.38Å1.37Å
N3HN3sing0.97Å1.00Å
C4C5doub1.39Å1.44ÅAromatic
C4N8sing1.32Å1.35ÅAromatic
N4C8doub1.32Å1.36ÅAromatic
N4C9sing1.33Å1.34ÅAromatic
C5C6sing1.38Å1.41ÅAromatic
C5H5sing1.08Å1.08Å
C10N5sing1.47Å1.49Å
N5C9sing1.36Å1.34ÅAromatic
N5N6sing1.40Å1.41ÅAromatic
C6C7doub1.39Å1.41ÅAromatic
C6H6sing1.08Å1.08Å
N6C17doub1.30Å1.35ÅAromatic
C20C7sing1.39Å1.40ÅAromatic
C8N7sing1.33Å1.37ÅAromatic
N7C19doub1.32Å1.34ÅAromatic
N8C20doub1.32Å1.36ÅAromatic
C9C18doub1.41Å1.36ÅAromatic
C16C10sing1.51Å1.54Å
C11C10sing1.54Å1.55Å
C10H10sing1.09Å1.10Å
C12C11sing1.46Å1.54Å
C11H11sing1.09Å1.10Å
C11H11Asing1.09Å1.10Å
C13C12sing1.54Å1.53Å
C12H12sing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
C14C13sing1.50Å1.55Å
C13H13sing1.09Å1.10Å
C13H13Asing1.09Å1.10Å
C14C15sing1.54Å1.55Å
C14H14sing1.09Å1.10Å
C14H14Asing1.09Å1.10Å
C15C16sing1.54Å1.52Å
C15H15sing1.09Å1.10Å
C15H15Asing1.09Å1.10Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
C18C17sing1.46Å1.44ÅAromatic
C17H17sing1.08Å1.08Å
C18C19sing1.40Å1.41ÅAromatic
C19H19sing1.08Å1.08Å
C20H20sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1SO2110.6°110.5°
C1SN1113.9°104.5°
C1SO1106.6°110.5°
SC1H1109.5°109.4°
SC1H1A109.5°109.5°
SC1H1B109.4°109.5°
O2SN1108.2°104.3°
O2SO1104.3°121.0°
N1SO1112.8°104.3°
SN1C2122.5°120.0°
SN1C4117.6°120.0°
H1C1H1A109.5°109.5°
H1C1H1B109.4°109.5°
H1AC1H1B109.5°109.5°
C2N1C4119.9°120.0°
N1C2C3107.4°109.5°
N1C2H2110.2°109.5°
N1C2H2A110.1°109.5°
N1C4C5122.1°119.6°
N1C4N8118.0°119.6°
C3C2H2110.2°109.5°
C3C2H2A110.2°109.5°
C2C3N2114.5°109.5°
C2C3H3107.8°109.4°
C2C3H3A107.8°109.5°
H2C2H2A108.8°109.5°
C3N2HN2109.5°111.0°
C3N2HN2A109.5°111.0°
N2C3H3107.8°109.5°
N2C3H3A107.8°109.5°
HN2N2HN2A109.5°111.0°
H3C3H3A111.1°109.5°
C7N3C8128.6°120.0°
C7N3HN3115.7°120.0°
N3C7C6125.5°120.4°
N3C7C20116.0°120.4°
C8N3HN3115.7°120.0°
N3C8N4119.6°118.8°
N3C8N7120.8°118.8°
C5C4N8119.9°120.8°
C4C5C6119.9°119.2°
C4C5H5120.1°120.4°
C4N8C20120.4°121.7°
C8N4C9121.7°120.4°
N4C8N7119.6°122.4°
N4C9N5135.7°134.7°
N4C9C18119.7°118.7°
C6C5H5120.0°120.4°
C5C6C7118.4°118.4°
C5C6H6120.8°120.8°
C10N5C9134.4°125.3°
C10N5N6113.3°125.4°
N5C10C16110.1°109.6°
N5C10C11105.5°109.6°
N5C10H10114.4°109.7°
C9N5N6112.3°109.3°
N5C9C18104.5°106.6°
N5N6C17107.1°110.1°
C7C6H6120.8°120.8°
C6C7C20118.5°119.2°
N6C17C18104.7°107.6°
N6C17H17127.6°126.2°
C7C20N8122.9°120.8°
C7C20H20118.5°119.6°
C8N7C19120.0°121.2°
N7C19C18119.8°118.6°
N7C19H19120.1°120.7°
N8C20H20118.6°119.6°
C9C18C17111.3°106.3°
C9C18C19119.2°118.7°
C16C10C11116.6°108.7°
C16C10H10102.9°109.6°
C10C16C15110.1°112.6°
C10C16H16109.3°109.0°
C10C16H16A109.3°108.6°
C11C10H10107.6°109.7°
C10C11C12117.8°112.4°
C10C11H11106.8°109.0°
C10C11H11A106.8°108.9°
C12C11H11106.8°108.9°
C12C11H11A106.8°108.8°
C11C12C13114.6°112.4°
C11C12H12107.8°108.9°
C11C12H12A107.8°108.9°
H11C11H11A112.0°108.9°
C13C12H12107.8°108.9°
C13C12H12A107.8°108.8°
C12C13C14106.2°108.5°
C12C13H13110.6°109.6°
C12C13H13A110.6°109.6°
H12C12H12A111.1°108.9°
C14C13H13110.6°109.7°
C14C13H13A110.6°109.8°
C13C14C15112.0°112.5°
C13C14H14108.7°108.9°
C13C14H14A108.7°108.9°
H13C13H13A108.4°109.7°
C15C14H14108.7°108.9°
C15C14H14A108.6°108.9°
C14C15C16111.7°112.9°
C14C15H15108.7°108.8°
C14C15H15A108.7°108.8°
H14C14H14A110.3°108.8°
C16C15H15108.8°108.9°
C16C15H15A108.8°108.7°
C15C16H16109.3°108.9°
C15C16H16A109.2°108.9°
H15C15H15A110.2°108.7°
H16C16H16A109.7°108.9°
C18C17H17127.7°126.2°
C17C18C19129.5°135.0°
C18C19H19120.1°120.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1SO2N1125.3°111.8°
C1SO2O1114.3°131.5°
C1SN1O1121.7°116.0°
SC1H1H1A120.0°120.0°
SC1H1H1B120.0°120.0°
SC1H1AH1B120.0°120.0°
C1SN1C249.9°97.2°
C1SN1C4132.2°82.8°
O2SN1O1114.9°127.9°
O2SC1H1180.0°43.3°
O2SC1H1A60.0°76.7°
O2SC1H1B60.0°163.3°
O2SN1C273.4°146.7°
O2SN1C4104.5°33.3°
N1SC1H157.9°68.4°
N1SC1H1A178.0°171.6°
N1SC1H1B62.0°51.6°
SN1C2C4177.8°180.0°
SN1C2C393.9°95.0°
SN1C2H2146.1°145.0°
SN1C2H2A26.1°25.0°
SN1C4C573.8°174.0°
SN1C4N8106.4°5.7°
O1SC1H167.2°180.0°
O1SC1H1A52.8°60.0°
O1SC1H1B172.9°60.0°
O1SN1C2171.7°18.9°
O1SN1C410.4°161.2°
H1C1H1AH1B120.0°120.0°
N1C2C3H2120.0°120.0°
N1C2C3H2A120.0°120.0°
N1C2H2H2A120.8°120.0°
N1C2C3N2140.8°180.0°
N1C2C3H320.8°60.0°
N1C2C3H3A99.2°60.0°
C2N1C4C5104.2°6.1°
C2N1C4N875.6°174.2°
C4N1C2C383.9°85.0°
C4N1C2H236.1°35.0°
C4N1C2H2A156.1°155.0°
N1C4C5N8179.8°179.7°
N1C4C5C6179.8°180.0°
N1C4C5H50.2°0.0°
N1C4N8C20178.2°179.7°
C3C2H2H2A120.9°120.0°
C2C3N2H3120.0°120.0°
C2C3N2H3A120.0°120.0°
C2C3N2HN2180.0°180.0°
C2C3N2HN2A60.0°56.0°
C2C3H3H3A117.9°120.0°
H2C2C3N299.2°60.0°
H2C2C3H3140.8°180.0°
H2C2C3H3A20.8°60.0°
H2AC2C3N220.9°60.0°
H2AC2C3H399.1°60.0°
H2AC2C3H3A140.9°180.0°
C3N2HN2HN2A120.0°123.9°
N2C3H3H3A117.9°120.0°
HN2N2C3H360.0°60.1°
HN2N2C3H3A60.0°60.0°
HN2AN2C3H3180.0°176.0°
HN2AN2C3H3A60.0°63.9°
C7N3C8HN3180.0°180.0°
C7N3C8N43.5°174.4°
N3C7C6C5179.6°179.9°
N3C7C6C20178.6°179.9°
N3C7C6H60.4°0.0°
C7N3C8N7176.3°5.5°
N3C7C20N8178.1°179.7°
N3C7C20H201.9°0.4°
N3C8N4N7179.8°179.9°
N3C8N4C9179.7°180.0°
C8N3C7C614.3°33.2°
C8N3C7C20167.0°146.7°
N3C8N7C19179.7°180.0°
HN3N3C8N4176.6°5.6°
HN3N3C7C6165.7°146.8°
HN3N3C7C2012.9°33.3°
HN3N3C8N73.6°174.5°
C4C5C6H5180.0°180.0°
C4C5C6C71.3°0.0°
C4C5C6H6178.7°180.0°
C5C4N8C201.6°0.6°
N8C4C5C60.0°0.3°
N8C4C5H5180.0°179.7°
C4N8C20C72.0°0.7°
C4N8C20H20178.0°180.0°
C8N4C9N5179.1°179.9°
N4C8N7C190.5°0.1°
C8N4C9C180.7°0.1°
N4C9N5C101.1°0.0°
N4C9N5C18178.6°180.0°
N4C9N5N6177.7°180.0°
C9N4C8N70.1°0.1°
N4C9C18C17178.8°180.0°
N4C9C18C190.8°0.0°
C5C6C7H6180.0°180.0°
C5C6C7C201.0°0.0°
H5C5C6C7178.7°180.0°
H5C5C6H61.3°0.1°
C10N5C9N6178.8°180.0°
C10N5N6C17179.6°180.0°
C10N5C9C18179.7°180.0°
N5C10C16C11120.1°119.7°
N5C10C16H10122.4°120.4°
N5C10C11H10122.6°120.4°
N5C10C11C12123.5°160.3°
N5C10C11H113.5°78.9°
N5C10C11H11A116.5°39.7°
N5C10C16C15173.0°146.3°
N5C10C16H1653.0°25.4°
N5C10C16H16A67.0°93.1°
C9N5N6C171.3°0.0°
C9N5C10C1653.7°120.5°
C9N5C10C1172.9°120.4°
C9N5C10H10169.0°0.1°
N5C9C18C170.1°0.0°
N5C9C18C19179.6°179.9°
N6N5C9C180.8°0.0°
N6N5C10C16127.4°59.6°
N6N5C10C11106.0°59.6°
N6N5C10H1012.2°180.0°
N5N6C17C181.2°0.0°
N5N6C17H17178.9°180.0°
C6C7C20N80.6°0.4°
C6C7C20H20179.3°179.7°
H6C6C7C20179.0°179.9°
N6C17C18C90.7°0.0°
N6C17C18H17180.0°180.0°
N6C17C18C19178.8°180.0°
C7C20N8H20180.0°179.3°
C8N7C19C180.4°0.1°
C8N7C19H19179.6°180.0°
N7C19C18C90.2°0.0°
N7C19C18C17179.2°180.0°
N7C19C18H19180.0°179.9°
C9C18C17C19179.5°179.9°
C9C18C17H17179.3°180.0°
C9C18C19H19179.8°180.0°
C16C10C11H10114.9°119.8°
C16C10C11C121.0°79.9°
C16C10C11H11119.0°40.8°
C16C10C11H11A121.0°159.4°
C10C16C15C1490.7°41.5°
C10C16C15H16120.0°121.0°
C10C16C15H16A120.0°120.5°
C10C16C15H15149.3°162.4°
C10C16C15H15A29.4°79.4°
C10C16H16H16A119.8°118.3°
C10C11C12H11120.0°120.8°
C10C11C12H11A120.0°120.7°
C10C11H11H11A116.6°118.7°
C10C11C12C1370.1°61.9°
C10C11C12H1249.9°177.3°
C10C11C12H12A169.9°58.7°
C11C10C16C1566.9°94.0°
C11C10C16H16173.1°145.1°
C11C10C16H16A53.1°26.7°
H10C10C11C12113.9°39.9°
H10C10C11H11126.1°160.6°
H10C10C11H11A6.1°80.7°
H10C10C16C1550.6°25.9°
H10C10C16H1669.4°95.0°
H10C10C16H16A170.6°146.5°
C12C11H11H11A116.6°118.5°
C11C12C13H12120.0°120.8°
C11C12C13H12A120.0°120.6°
C11C12H12H12A117.9°118.6°
C11C12C13C1488.5°79.9°
C11C12C13H13151.5°39.8°
C11C12C13H13A31.4°160.1°
H11C11C12C13169.9°58.9°
H11C11C12H1270.1°61.9°
H11C11C12H12A49.9°179.5°
H11AC11C12C1349.9°177.4°
H11AC11C12H12169.9°56.6°
H11AC11C12H12A70.1°62.0°
C13C12H12H12A117.9°118.5°
C12C13C14H13120.0°119.6°
C12C13C14H13A120.0°119.8°
C12C13H13H13A121.3°120.3°
C12C13C14C1571.9°94.1°
C12C13C14H1448.2°145.1°
C12C13C14H14A168.1°26.6°
H12C12C13C1431.4°159.2°
H12C12C13H1388.6°81.0°
H12C12C13H13A151.4°39.3°
H12AC12C13C14151.4°40.7°
H12AC12C13H1331.5°160.4°
H12AC12C13H13A88.6°79.2°
C14C13H13H13A121.3°120.7°
C13C14C15H14120.0°120.8°
C13C14C15H14A120.0°120.8°
C13C14H14H14A119.0°118.5°
C13C14C15C1677.3°41.9°
C13C14C15H15162.7°79.1°
C13C14C15H15A42.8°162.6°
H13C13C14C15168.2°25.5°
H13C13C14H1471.8°95.3°
H13C13C14H14A48.2°146.3°
H13AC13C14C1548.1°146.1°
H13AC13C14H14168.2°25.3°
H13AC13C14H14A71.9°93.1°
C15C14H14H14A119.0°118.5°
C14C15C16H15120.0°120.9°
C14C15C16H15A120.0°120.8°
C14C15H15H15A119.1°118.3°
C14C15C16H16149.3°162.5°
C14C15C16H16A29.3°79.0°
H14C14C15C1642.8°162.6°
H14C14C15H1577.3°41.6°
H14C14C15H15A162.8°76.6°
H14AC14C15C16162.7°78.9°
H14AC14C15H1542.7°160.1°
H14AC14C15H15A77.2°41.8°
C16C15H15H15A119.1°118.2°
C15C16H16H16A119.7°118.6°
H15C15C16H1629.3°76.6°
H15C15C16H16A90.7°41.9°
H15AC15C16H1690.7°41.6°
H15AC15C16H16A149.4°160.2°
C17C18C19H190.8°0.1°
H17C17C18C191.2°0.1°

224201

PDB entries from 2024-08-28

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