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A1AIP

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1sing1.51Å1.49Å
C1Ndoub1.31Å1.33ÅAromatic
NN1sing1.40Å1.36ÅAromatic
C2N1sing1.46Å1.46Å
N1C3sing1.35Å1.34ÅAromatic
C3C4doub1.37Å1.37ÅAromatic
C1C4sing1.41Å1.42ÅAromatic
C4C5sing1.48Å1.46Å
C5C6doub1.36Å1.37ÅAromatic
C6C7sing1.46Å1.44ÅAromatic
C7C8doub1.40Å1.42ÅAromatic
C8N2sing1.38Å1.36Å
N2C9sing1.47Å1.46Å
C9C10sing1.51Å1.52Å
C10C11doub1.38Å1.39ÅAromatic
C11C12sing1.38Å1.38ÅAromatic
C12C13doub1.39Å1.39ÅAromatic
C13C14sing1.38Å1.41ÅAromatic
C15C14doub1.39Å1.39ÅAromatic
C10C15sing1.38Å1.39ÅAromatic
C14Ssing1.77Å1.73Å
OSdoub1.42Å1.45Å
SO1doub1.42Å1.44Å
C16Ssing1.82Å1.75Å
C17C16sing1.54Å1.52Å
C18C17sing1.52Å1.51Å
C13C18sing1.50Å1.51Å
C19C9sing1.53Å1.55Å
C20C19sing1.53Å1.52Å
C21C19sing1.53Å1.52Å
N3C8sing1.33Å1.35ÅAromatic
C22N3doub1.32Å1.34ÅAromatic
N4C22sing1.32Å1.34ÅAromatic
C23N4doub1.33Å1.35ÅAromatic
C7C23sing1.41Å1.40ÅAromatic
N5C23sing1.37Å1.37ÅAromatic
C5N5sing1.38Å1.39ÅAromatic
C6H9sing1.08Å1.08Å
C15H13sing1.08Å1.08Å
C17H16sing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C20H22sing1.09Å1.10Å
C20H21sing1.09Å1.10Å
C20H23sing1.09Å1.10Å
C21H25sing1.09Å1.10Å
C21H26sing1.09Å1.10Å
C21H24sing1.09Å1.10Å
C22H27sing1.08Å1.08Å
C16H15sing1.09Å1.10Å
C16H14sing1.09Å1.10Å
C18H18sing1.09Å1.10Å
C18H19sing1.09Å1.10Å
C12H12sing1.08Å1.08Å
C11H11sing1.08Å1.08Å
C9Hsing1.09Å1.10Å
C19H20sing1.09Å1.10Å
N2H10sing0.97Å1.00Å
N5H1sing0.97Å1.00Å
CH4sing1.09Å1.10Å
CH3sing1.09Å1.10Å
CH2sing1.09Å1.10Å
C3H8sing1.08Å1.08Å
C2H7sing1.09Å1.10Å
C2H5sing1.09Å1.10Å
C2H6sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CC1N120.2°126.0°
CC1C4128.2°125.9°
C1CH4109.5°109.5°
C1CH3109.5°109.5°
C1CH2109.5°109.4°
C1NN1104.1°108.6°
NC1C4111.4°108.1°
NN1C2119.3°125.9°
NN1C3113.1°108.2°
C2N1C3127.4°125.9°
N1C2H7109.5°109.5°
N1C2H5109.5°109.5°
N1C2H6109.5°109.5°
N1C3C4106.9°107.6°
N1C3H8126.6°126.2°
C3C4C1104.5°107.5°
C3C4C5125.8°126.3°
C4C3H8126.6°126.2°
C1C4C5129.6°126.3°
C4C5C6128.6°125.3°
C4C5N5122.2°125.3°
C5C6C7106.9°106.8°
C6C5N5109.2°109.5°
C5C6H9126.5°126.6°
C6C7C8137.4°135.0°
C6C7C23107.0°106.4°
C7C6H9126.6°126.6°
C7C8N2120.6°120.8°
C7C8N3120.3°118.3°
C8C7C23115.5°118.6°
C8N2C9125.5°120.0°
N2C8N3119.0°120.9°
C8N2H10105.3°120.0°
N2C9C10112.8°109.5°
N2C9C19110.0°109.4°
N2C9H107.9°109.5°
C9N2H10105.3°120.0°
C9C10C11120.8°120.3°
C9C10C15120.9°120.3°
C10C9C19111.8°109.5°
C10C9H107.2°109.5°
C10C11C12120.9°119.9°
C11C10C15118.2°119.5°
C10C11H11119.5°120.1°
C11C12C13121.9°120.9°
C11C12H12119.0°119.5°
C12C11H11119.5°120.0°
C12C13C14116.7°118.8°
C12C13C18119.3°116.5°
C13C12H12119.1°119.5°
C13C14C15121.5°120.3°
C13C14S122.1°121.9°
C14C13C18124.0°124.7°
C14C15C10120.7°120.6°
C15C14S116.3°117.8°
C14C15H13119.7°119.7°
C10C15H13119.7°119.7°
C14SO108.8°104.4°
C14SO1108.7°104.4°
C14SC16103.0°103.6°
OSO1117.7°121.2°
OSC16108.9°110.7°
O1SC16108.7°110.7°
SC16C17109.2°107.1°
SC16H15109.5°109.9°
SC16H14109.6°109.9°
C16C17C18108.7°109.1°
C16C17H16109.7°109.5°
C16C17H17109.7°109.6°
C17C16H15109.6°109.9°
C17C16H14109.5°109.9°
C17C18C13112.5°113.8°
C18C17H16109.7°109.6°
C18C17H17109.7°109.6°
C17C18H18108.7°108.6°
C17C18H19108.7°108.6°
C13C18H18108.7°108.6°
C13C18H19108.7°108.6°
C9C19C20111.5°109.5°
C9C19C21111.8°109.5°
C19C9H106.9°109.5°
C9C19H20107.5°109.5°
C20C19C21110.4°109.5°
C19C20H22109.5°109.5°
C19C20H21109.5°109.4°
C19C20H23109.4°109.5°
C20C19H20107.7°109.5°
C19C21H25109.5°109.4°
C19C21H26109.5°109.5°
C19C21H24109.5°109.5°
C21C19H20107.7°109.4°
C8N3C22117.1°121.0°
N3C22N4129.0°122.8°
N3C22H27115.5°118.6°
C22N4C23112.6°120.7°
N4C22H27115.5°118.6°
N4C23C7125.4°118.5°
N4C23N5126.5°134.1°
C7C23N5108.1°107.4°
C23N5C5108.8°110.0°
C23N5H1125.6°125.0°
C5N5H1125.6°125.1°
H16C17H17109.5°109.5°
H22C20H21109.5°109.4°
H22C20H23109.5°109.5°
H21C20H23109.5°109.5°
H25C21H26109.4°109.4°
H25C21H24109.5°109.5°
H26C21H24109.5°109.5°
H15C16H14109.5°110.0°
H18C18H19109.5°108.4°
H4CH3109.5°109.5°
H4CH2109.5°109.5°
H3CH2109.5°109.4°
H7C2H5109.5°109.5°
H7C2H6109.5°109.5°
H5C2H6109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CC1NC4176.3°180.0°
CC1NN1176.5°180.0°
CC1C4C3176.6°180.0°
CC1C4C56.0°0.0°
C1CH4H3120.0°120.1°
C1CH4H2120.0°120.0°
C1CH3H2120.0°120.0°
C1NN1C2174.7°179.7°
C1NN1C30.4°0.0°
NC1C4C30.6°0.0°
NC1C4C5178.1°180.0°
NC1CH40.0°90.0°
NC1CH3120.0°150.0°
NC1CH2120.0°30.0°
NN1C2C3174.4°179.6°
NN1C3C40.8°0.0°
N1NC1C40.1°0.0°
NN1C3H8179.2°180.0°
NN1C2H70.0°90.3°
NN1C2H5120.0°29.7°
NN1C2H6120.0°149.6°
C2N1C3C4173.9°179.7°
C2N1C3H86.1°0.3°
N1C2H7H5120.0°120.0°
N1C2H7H6120.0°120.0°
N1C2H5H6120.0°120.0°
N1C3C4H8180.0°180.0°
N1C3C4C10.8°0.0°
N1C3C4C5178.4°180.0°
C3N1C2H7174.4°90.0°
C3N1C2H565.6°150.0°
C3N1C2H654.4°30.0°
C3C4C1C5177.5°180.0°
C3C4C5C6163.1°40.0°
C3C4C5N518.5°140.0°
C1C4C5C613.9°140.0°
C1C4C5N5164.5°40.0°
C4C1CH4175.7°90.0°
C4C1CH355.7°30.0°
C4C1CH264.4°150.0°
C1C4C3H8179.2°180.0°
C4C5C6N5178.5°180.0°
C4C5C6C7179.8°180.0°
C4C5N5C23179.5°180.0°
C4C5C6H90.2°0.0°
C4C5N5H10.5°0.0°
C5C4C3H81.6°0.0°
C5C6C7H9180.0°180.0°
C5C6C7C8175.7°180.0°
C5C6C7C230.9°0.0°
C6C5N5C231.8°0.0°
C6C5N5H1178.2°180.0°
C6C7C8C23176.4°180.0°
C6C7C8N21.9°0.0°
C6C7C8N3178.9°179.9°
C6C7C23N4178.5°180.0°
C6C7C23N50.2°0.0°
C7C6C5N51.6°0.0°
C7C8N2N3177.0°179.9°
C7C8N2C9167.8°180.0°
C7C8N3C221.6°0.1°
C8C7C23N41.1°0.0°
C8C7C23N5177.7°180.0°
C8C7C6H94.3°0.0°
C7C8N2H1070.1°0.0°
C8N2C9H10122.2°180.0°
C8N2C9C1093.3°155.0°
C8N2C9C19141.1°85.0°
N2C8N3C22175.4°180.0°
N2C8C7C23174.5°180.0°
C8N2C9H24.9°35.0°
N2C9C10C19124.6°120.0°
N2C9C10H118.6°120.0°
N2C9C10C11124.3°40.0°
N2C9C10C1552.0°140.3°
N2C9C19H116.8°120.0°
N2C9C19C2057.5°60.0°
N2C9C19C21178.3°60.0°
C9N2C8N315.2°0.0°
N2C9C19H2060.3°180.0°
C9C10C11C15176.3°179.7°
C9C10C11C12175.2°179.4°
C9C10C15C14175.2°179.7°
C10C9C19H117.0°120.0°
C10C9C19C20176.3°180.0°
C10C9C19C2152.2°59.9°
C9C10C15H134.8°0.2°
C9C10C11H114.8°0.6°
C10C9C19H2065.9°60.0°
C10C9N2H10144.5°25.0°
C10C11C12H11180.0°180.0°
C10C11C12C130.9°0.0°
C11C10C15C141.1°0.0°
C11C10C9C19111.1°80.0°
C11C10C15H13178.8°180.0°
C10C11C12H12179.1°179.9°
C11C10C9H5.7°160.0°
C11C12C13H12180.0°180.0°
C11C12C13C140.5°0.7°
C12C11C10C151.1°0.3°
C11C12C13C18177.3°178.9°
C12C13C14C18177.8°179.6°
C12C13C14C150.5°1.1°
C12C13C14S178.1°178.1°
C12C13C18C17157.1°155.8°
C12C13C18H1882.4°83.1°
C12C13C18H1936.7°34.7°
C13C12C11H11179.1°180.0°
C13C14C15S178.6°179.2°
C13C14C15C100.9°0.7°
C13C14SO129.9°103.4°
C13C14SO1100.8°128.5°
C13C14SC1614.5°12.5°
C14C13C18C1725.2°24.7°
C13C14C15H13179.1°179.3°
C14C13C18H1895.3°96.5°
C14C13C18H19145.6°145.8°
C14C13C12H12179.5°179.2°
C14C15C10H13180.0°180.0°
C15C14SO51.5°75.8°
C15C14SO177.9°52.3°
C15C14SC16166.9°168.2°
C15C14C13C18177.2°178.5°
C10C15C14S177.8°178.5°
C15C10C9C1972.6°99.7°
C15C10C11H11178.9°179.6°
C15C10C9H170.6°20.3°
C14SOO1124.2°117.1°
C14SOC16111.6°110.9°
C14SO1C16111.5°110.9°
C14SC16C1747.0°44.9°
SC14C13C184.2°2.3°
SC14C15H132.2°1.5°
C14SC16H1572.9°74.5°
C14SC16H14167.0°164.3°
OSO1C16124.3°132.0°
OSC16C17162.4°66.5°
OSC16H1542.4°174.1°
OSC16H1477.7°52.9°
O1SC16C1768.2°156.3°
O1SC16H15171.8°36.9°
O1SC16H1451.7°84.3°
SC16C17H15119.9°119.4°
SC16C17H14120.0°119.4°
SC16C17C1873.1°71.4°
SC16C17H16167.0°48.5°
SC16C17H1746.8°168.6°
SC16H15H14120.1°121.2°
C16C17C18H16119.9°119.9°
C16C17C18H17119.9°120.0°
C16C17C18C1360.2°61.5°
C16C17H16H17120.4°120.2°
C17C16H15H14120.1°121.2°
C16C17C18H1860.2°59.7°
C16C17C18H19179.3°177.4°
C17C18C13H18120.5°121.1°
C17C18C13H19120.5°121.1°
C18C17H16H17120.4°120.3°
C18C17C16H1546.9°48.0°
C18C17C16H14166.9°169.2°
C17C18H18H19118.6°117.8°
C13C18C17H16179.9°58.4°
C13C18C17H1759.7°178.6°
C13C18H18H19118.6°117.9°
C18C13C12H122.7°1.2°
C9C19C20C21124.9°120.1°
C9C19C20H20117.7°120.0°
C9C19C21H20117.9°120.0°
C9C19C20H22180.0°60.0°
C9C19C20H2160.0°60.0°
C9C19C20H2360.0°180.0°
C9C19C21H25180.0°60.0°
C9C19C21H2660.0°59.9°
C9C19C21H2460.0°180.0°
C19C9N2H1018.9°95.0°
C20C19C21H20117.4°119.9°
C19C20H22H21120.0°119.9°
C19C20H22H23120.0°120.0°
C19C20H21H23120.0°120.0°
C20C19C21H2555.3°60.1°
C20C19C21H26175.2°180.0°
C20C19C21H2464.8°59.9°
C20C19C9H59.3°60.0°
C21C19C20H2255.0°180.0°
C21C19C20H2165.0°60.1°
C21C19C20H23175.1°59.9°
C19C21H25H26120.0°119.9°
C19C21H25H24120.0°120.0°
C19C21H26H24120.0°120.1°
C21C19C9H64.8°180.0°
C8N3C22N40.9°0.0°
N3C8C7C232.5°0.1°
C8N3C22H27179.1°180.0°
N3C8N2H10106.9°180.0°
N3C22N4H27180.0°180.0°
N3C22N4C232.2°0.0°
C22N4C23C71.0°0.0°
C22N4C23N5179.6°180.0°
N4C23C7N5178.8°180.0°
N4C23N5C5177.5°180.0°
C23N4C22H27177.8°180.0°
N4C23N5H12.5°0.0°
C7C23N5C51.3°0.0°
C23C7C6H9179.1°180.0°
C7C23N5H1178.7°180.0°
C23N5C5H1180.0°180.0°
N5C5C6H9178.3°180.0°
H16C17C16H1573.0°167.9°
H16C17C16H1447.0°70.9°
H16C17C18H1859.6°179.5°
H16C17C18H1959.4°62.8°
H17C17C16H15166.7°71.9°
H17C17C16H1473.2°49.2°
H17C17C18H18179.9°60.3°
H17C17C18H1960.8°57.4°
H22C20H21H23120.0°120.0°
H22C20C19H2062.3°60.1°
H21C20C19H20177.7°180.0°
H23C20C19H2057.7°60.0°
H25C21H26H24120.0°120.0°
H25C21C19H2062.1°180.0°
H26C21C19H2057.9°60.1°
H24C21C19H20177.9°60.0°
H12C12C11H110.9°0.0°
HC9C19H20177.1°60.0°
HC9N2H1097.3°145.0°
H4CH3H2120.0°120.0°
H7C2H5H6120.0°120.0°

222036

PDB entries from 2024-07-03

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