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A1IPG

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C13C11sing1.51Å1.52Å
C11O12doub1.21Å1.22Å
C11N8sing1.35Å1.37Å
C9N8sing1.47Å1.47Å
C9C10sing1.54Å1.55Å
N8C7sing1.47Å1.49Å
C10C6sing1.55Å1.57Å
C7C6sing1.55Å1.57Å
C29C30doub1.36Å1.36ÅAromatic
C29C28sing1.41Å1.42ÅAromatic
C30C21sing1.40Å1.41ÅAromatic
C6C5sing1.53Å1.55Å
C17C16doub1.38Å1.38ÅAromatic
C17C18sing1.39Å1.40ÅAromatic
O3S1doub1.42Å1.43Å
C16C15sing1.38Å1.38ÅAromatic
C27C28doub1.41Å1.42ÅAromatic
C27C26sing1.37Å1.38ÅAromatic
C28C23sing1.42Å1.42ÅAromatic
C21C18sing1.48Å1.47Å
C21C22doub1.38Å1.38ÅAromatic
C5N4sing1.47Å1.48Å
C18C19doub1.39Å1.40ÅAromatic
C15S1sing1.76Å1.76Å
C15C20doub1.38Å1.38ÅAromatic
S1N4sing1.66Å1.67Å
S1O2doub1.42Å1.42Å
C26C25doub1.39Å1.40ÅAromatic
N4C14sing1.46Å1.48Å
C23C22sing1.40Å1.41ÅAromatic
C23N24doub1.34Å1.35ÅAromatic
C19C20sing1.38Å1.38ÅAromatic
C25N24sing1.31Å1.32ÅAromatic
C7H1sing1.09Å1.10Å
C7H2sing1.09Å1.10Å
C9H3sing1.09Å1.10Å
C9H4sing1.09Å1.10Å
C10H5sing1.09Å1.10Å
C10H6sing1.09Å1.10Å
C13H7sing1.09Å1.10Å
C13H8sing1.09Å1.10Å
C13H9sing1.09Å1.10Å
C14H10sing1.09Å1.10Å
C14H11sing1.09Å1.10Å
C14H12sing1.09Å1.10Å
C16H13sing1.08Å1.08Å
C19H14sing1.08Å1.08Å
C20H15sing1.08Å1.08Å
C22H16sing1.08Å1.08Å
C27H17sing1.08Å1.08Å
C30H18sing1.08Å1.08Å
C5H19sing1.09Å1.10Å
C5H20sing1.09Å1.10Å
C6H21sing1.09Å1.10Å
C17H22sing1.08Å1.08Å
C25H23sing1.08Å1.08Å
C26H24sing1.08Å1.08Å
C29H25sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C13C11O12118.3°120.0°
C13C11N8122.3°120.0°
C11C13H7109.5°109.4°
C11C13H8109.5°109.5°
C11C13H9109.4°109.5°
O12C11N8119.4°120.0°
C11N8C9127.5°125.6°
C11N8C7127.6°125.7°
N8C9C10103.7°107.2°
C9N8C7104.9°108.7°
N8C9H3110.9°109.9°
N8C9H4110.9°109.9°
C9C10C6104.6°103.0°
C10C9H3110.9°109.9°
C10C9H4110.9°109.9°
C9C10H5110.7°110.7°
C9C10H6110.6°110.7°
N8C7C6104.8°104.8°
N8C7H1110.6°110.4°
N8C7H2110.6°110.4°
C10C6C7103.9°101.6°
C10C6C5109.4°111.0°
C6C10H5110.7°110.7°
C6C10H6110.7°110.7°
C10C6H21108.6°111.0°
C7C6C5117.3°111.0°
C6C7H1110.6°110.4°
C6C7H2110.6°110.4°
C7C6H21108.6°111.0°
C30C29C28117.4°119.9°
C29C30C21122.8°120.8°
C29C30H18118.6°119.6°
C30C29H25121.3°120.0°
C29C28C27121.1°121.2°
C29C28C23120.4°119.9°
C28C29H25121.3°120.1°
C30C21C18118.6°119.7°
C30C21C22121.1°120.6°
C21C30H18118.6°119.6°
C6C5N4121.4°109.5°
C6C5H19106.4°109.5°
C6C5H20106.4°109.5°
C5C6H21108.8°110.9°
C16C17C18119.3°119.9°
C17C16C15120.8°120.1°
C17C16H13119.6°119.9°
C16C17H22120.3°120.0°
C17C18C21118.5°120.1°
C17C18C19119.6°119.7°
C18C17H22120.3°120.1°
O3S1C1597.6°106.4°
O3S1N4111.4°106.4°
O3S1O2122.4°123.2°
C16C15S1116.5°119.9°
C16C15C20120.5°120.2°
C15C16H13119.6°120.0°
C28C27C26119.5°118.2°
C27C28C23118.5°118.9°
C28C27H17120.3°120.9°
C27C26C25118.9°119.9°
C26C27H17120.3°120.9°
C27C26H24120.6°120.1°
C28C23C22120.8°119.2°
C28C23N24119.3°119.8°
C18C21C22120.3°119.7°
C21C18C19121.9°120.1°
C21C22C23117.6°119.6°
C21C22H16121.2°120.2°
C5N4S1120.8°120.0°
C5N4C14119.8°119.9°
N4C5H19106.4°109.4°
N4C5H20106.4°109.5°
C18C19C20120.4°119.9°
C18C19H14119.8°120.0°
S1C15C20123.0°119.9°
C15S1N4109.4°107.2°
C15S1O2109.6°106.4°
C15C20C19119.5°120.1°
C15C20H15120.3°119.9°
N4S1O2105.8°106.4°
S1N4C14119.4°120.0°
C26C25N24121.4°121.7°
C26C25H23119.3°119.2°
C25C26H24120.5°120.0°
N4C14H10109.5°109.5°
N4C14H11109.5°109.5°
N4C14H12109.5°109.5°
C22C23N24120.0°121.0°
C23C22H16121.2°120.2°
C23N24C25122.5°121.3°
C20C19H14119.8°120.1°
C19C20H15120.3°120.0°
N24C25H23119.3°119.1°
H1C7H2109.5°110.3°
H3C9H4109.4°110.0°
H5C10H6109.5°110.8°
H7C13H8109.5°109.5°
H7C13H9109.5°109.5°
H8C13H9109.4°109.5°
H10C14H11109.4°109.5°
H10C14H12109.5°109.4°
H11C14H12109.5°109.4°
H19C5H20109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C13C11O12N8179.9°179.9°
C13C11N8C90.8°4.9°
C13C11N8C7179.5°175.2°
C11C13H7H8120.0°120.0°
C11C13H7H9120.0°120.0°
C11C13H8H9120.0°120.0°
O12C11N8C9179.4°175.1°
O12C11N8C70.6°4.8°
O12C11C13H70.0°90.0°
O12C11C13H8120.0°150.0°
O12C11C13H9120.0°30.0°
C11N8C9C7179.0°179.9°
C11N8C9C10135.8°179.0°
C11N8C7C6140.1°155.9°
C11N8C7H120.9°85.2°
C11N8C7H2100.6°37.0°
C11N8C9H3105.1°59.5°
C11N8C9H416.7°61.6°
N8C11C13H7179.9°90.0°
N8C11C13H860.1°30.0°
N8C11C13H959.8°150.0°
N8C9C10H3119.1°119.4°
N8C9C10H4119.1°119.4°
N8C9C10C630.1°22.2°
C9N8C7C638.8°24.2°
C9N8C7H1158.1°94.7°
C9N8C7H280.4°143.1°
N8C9H3H4122.7°121.0°
N8C9C10H5149.4°96.2°
N8C9C10H689.1°140.5°
C10C9N8C743.1°1.1°
C9C10C6H5119.2°118.4°
C9C10C6H6119.2°118.4°
C9C10C6C76.7°35.6°
C9C10C6C5119.3°153.6°
C10C9H3H4122.7°121.2°
C9C10H5H6122.2°123.2°
C9C10C6H21122.1°82.6°
N8C7C6C1018.7°37.1°
N8C7C6H1119.3°118.9°
N8C7C6H2119.3°118.9°
N8C7C6C5139.5°155.1°
N8C7H1H2122.1°122.3°
C7N8C9H376.0°120.5°
C7N8C9H4162.3°118.3°
N8C7C6H2196.7°81.1°
C10C6C7C5120.8°118.0°
C10C6C7H21115.4°118.1°
C10C6C5H21118.4°123.9°
C10C6C5N4125.2°177.8°
C10C6C7H1138.0°81.8°
C10C6C7H2100.6°156.0°
C6C10C9H389.0°97.2°
C6C10C9H4149.2°141.6°
C6C10H5H6122.3°123.2°
C10C6C5H193.5°62.3°
C10C6C5H20113.1°57.8°
C7C6C5H21123.7°123.9°
C7C6C5N47.3°65.6°
C6C7H1H2122.1°122.2°
C7C6C10H5125.9°82.8°
C7C6C10H6112.5°153.9°
C7C6C5H19114.4°174.4°
C7C6C5H20129.0°54.4°
C30C29C28H25180.0°180.0°
C29C30C21H18180.0°179.9°
C30C29C28C27178.7°179.9°
C30C29C28C231.4°0.3°
C29C30C21C18179.8°180.0°
C29C30C21C220.1°0.3°
C28C29C30C211.1°0.0°
C29C28C27C23180.0°179.7°
C29C28C27C26179.7°179.7°
C29C28C23C220.5°0.3°
C29C28C23N24179.7°179.8°
C29C28C27H170.3°0.2°
C28C29C30H18178.9°180.0°
C30C21C18C176.9°0.3°
C30C21C18C22179.7°179.7°
C30C21C18C19174.1°180.0°
C30C21C22C230.9°0.3°
C30C21C22H16179.1°179.8°
C21C30C29H25179.0°180.0°
C6C5N4H19121.7°120.0°
C6C5N4H20121.7°120.0°
C6C5N4S184.9°94.7°
C6C5N4C1497.4°85.3°
C5C6C7H1101.2°36.2°
C5C6C7H220.2°86.0°
C5C6C10H50.1°35.2°
C5C6C10H6121.5°88.0°
C6C5H19H20114.6°120.0°
C16C17C18H22180.0°180.0°
C17C16C15H13180.0°180.0°
C16C17C18C21179.6°180.0°
C16C17C18C190.6°0.3°
C17C16C15S1179.8°180.0°
C17C16C15C200.1°0.3°
C18C17C16C150.8°0.0°
C17C18C21C19178.9°179.8°
C17C18C21C22173.3°180.0°
C17C18C19C200.2°0.3°
C18C17C16H13179.2°180.0°
C17C18C19H14179.8°179.8°
O3S1C15C1612.1°161.8°
O3S1N4C552.2°28.5°
O3S1C15N4116.0°113.5°
O3S1C15O2128.5°132.9°
O3S1C15C20167.8°18.5°
O3S1N4O2135.2°132.9°
O3S1N4C14130.1°151.5°
C16C15S1C20179.9°179.7°
C16C15S1N4103.8°84.7°
C16C15S1O2140.6°28.9°
C16C15C20C190.8°0.3°
C16C15C20H15179.2°179.7°
C15C16C17H22179.2°179.9°
C28C27C26H17180.0°179.9°
C28C27C26C250.7°0.0°
C27C28C23C22179.5°180.0°
C27C28C23N240.3°0.0°
C28C27C26H24179.3°180.0°
C27C28C29H251.3°0.0°
C26C27C28C230.3°0.0°
C27C26C25H24180.0°180.0°
C27C26C25N240.5°0.0°
C27C26C25H23179.6°180.0°
C28C23C22C210.6°0.0°
C28C23C22N24179.8°179.9°
C28C23N24C250.6°0.1°
C28C23C22H16179.4°179.9°
C23C28C27H17179.7°180.0°
C23C28C29H25178.7°179.7°
C18C21C22C23179.3°180.0°
C21C18C19C20178.7°180.0°
C21C18C19H141.3°0.0°
C18C21C22H160.7°0.1°
C18C21C30H180.2°0.0°
C21C18C17H220.4°0.0°
C22C21C18C195.6°0.3°
C21C22C23H16180.0°179.9°
C21C22C23N24179.2°179.9°
C22C21C30H18179.9°179.7°
C5N4S1C1554.6°85.0°
C5N4S1C14177.6°180.0°
C5N4S1O2172.6°161.4°
C5N4C14H10180.0°90.0°
C5N4C14H1160.0°30.0°
C5N4C14H1260.0°150.0°
N4C5H19H20114.6°120.0°
N4C5C6H21116.4°58.3°
C18C19C20C150.9°0.0°
C18C19C20H14180.0°180.0°
C18C19C20H15179.1°180.0°
C19C18C17H22179.3°179.8°
C15S1N4O2118.0°113.5°
C15S1N4C14123.1°95.0°
S1C15C20C19179.3°180.0°
S1C15C16H130.2°0.0°
S1C15C20H150.7°0.0°
C20C15S1N476.3°95.0°
C20C15S1O239.3°151.4°
C15C20C19H15180.0°180.0°
C20C15C16H13179.9°179.7°
C15C20C19H14179.1°179.9°
S1N4C14H102.3°90.0°
S1N4C14H11117.7°150.0°
S1N4C14H12122.3°30.0°
S1N4C5H1936.7°25.3°
S1N4C5H20153.4°145.3°
O2S1N4C145.0°18.6°
C26C25N24C230.2°0.1°
C26C25N24H23180.0°179.9°
C25C26C27H17179.4°180.0°
N4C14H10H11120.0°120.1°
N4C14H10H12120.0°120.0°
N4C14H11H12120.0°120.0°
C14N4C5H19140.9°154.7°
C14N4C5H2024.2°34.7°
C22C23N24C25179.2°180.0°
N24C23C22H160.8°0.0°
C23N24C25H23179.8°180.0°
N24C25C26H24179.5°180.0°
H1C7C6H2122.5°160.0°
H2C7C6H21144.0°37.8°
H3C9C10H530.3°144.4°
H3C9C10H6151.8°21.1°
H4C9C10H591.5°23.2°
H4C9C10H630.0°100.1°
H5C10C6H21118.6°159.0°
H6C10C6H212.9°35.8°
H7C13H8H9120.0°120.0°
H10C14H11H12120.0°119.9°
H13C16C17H220.8°0.1°
H14C19C20H151.0°0.0°
H17C27C26H240.7°0.0°
H18C30C29H251.0°0.0°
H19C5C6H21121.9°61.7°
H20C5C6H215.3°178.3°
H23C25C26H240.4°0.1°

248636

PDB entries from 2026-02-04

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