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RQ7

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.38Å1.39ÅAromatic
C1C6sing1.38Å1.38ÅAromatic
C2C3sing1.39Å1.40ÅAromatic
C6C5doub1.39Å1.39ÅAromatic
C14C12doub1.41Å1.40ÅAromatic
C14C15sing1.37Å1.39ÅAromatic
N3C12sing1.35Å1.40ÅAromatic
N3C11doub1.29Å1.30ÅAromatic
N2C11sing1.38Å1.38Å
N2C10sing1.35Å1.38Å
C12C13sing1.40Å1.40ÅAromatic
C15C16doub1.39Å1.39ÅAromatic
C11S1sing1.76Å1.75ÅAromatic
C3C10sing1.48Å1.50Å
C3C4doub1.40Å1.40ÅAromatic
C5C4sing1.38Å1.40ÅAromatic
C5C9sing1.51Å1.51Å
C10O1doub1.21Å1.23Å
C4C7sing1.51Å1.51Å
C13S1sing1.76Å1.74ÅAromatic
C13C17doub1.39Å1.39ÅAromatic
C16C17sing1.38Å1.39ÅAromatic
C9C8sing1.53Å1.51Å
C7N1sing1.47Å1.48Å
C8N1sing1.47Å1.47Å
N1C18sing1.39Å1.39Å
C18N4doub1.32Å1.35ÅAromatic
C18C19sing1.40Å1.40ÅAromatic
N4C22sing1.33Å1.35ÅAromatic
C19C20doub1.37Å1.38ÅAromatic
C22C23sing1.48Å1.51Å
C22C21doub1.40Å1.40ÅAromatic
C20C21sing1.40Å1.40ÅAromatic
C23O2doub1.21Å1.30Å
C23O3sing1.35Å1.22Å
C21C24sing1.48Å1.48Å
C24C26doub1.37Å1.38ÅAromatic
C24C25sing1.41Å1.41ÅAromatic
C26N6sing1.35Å1.34ÅAromatic
C25N5doub1.31Å1.32ÅAromatic
N6N5sing1.40Å1.36ÅAromatic
N6C27sing1.47Å1.46Å
C27C28sing1.51Å1.51Å
C32C28doub1.39Å1.39ÅAromatic
C32C31sing1.38Å1.38ÅAromatic
C28C29sing1.39Å1.39ÅAromatic
C31N7doub1.32Å1.34ÅAromatic
C29C30doub1.38Å1.39ÅAromatic
N7C30sing1.32Å1.34ÅAromatic
C6H1sing1.08Å1.08Å
C7H2sing1.09Å1.10Å
C7H3sing1.09Å1.10Å
C8H4sing1.09Å1.10Å
C8H5sing1.09Å1.10Å
C15H6sing1.08Å1.08Å
C17H7sing1.08Å1.08Å
C20H8sing1.08Å1.08Å
C26H9sing1.08Å1.08Å
C1H10sing1.08Å1.08Å
C2H11sing1.08Å1.08Å
C9H12sing1.09Å1.10Å
C9H13sing1.09Å1.10Å
N2H14sing0.97Å1.00Å
C14H15sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
C19H17sing1.08Å1.08Å
O3H18sing0.97Å0.95Å
C25H19sing1.08Å1.08Å
C27H20sing1.09Å1.10Å
C27H21sing1.09Å1.10Å
C29H22sing1.08Å1.08Å
C30H23sing1.08Å1.08Å
C31H24sing1.08Å1.08Å
C32H25sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6120.1°120.0°
C1C2C3119.8°119.7°
C2C1H10119.9°120.0°
C1C2H11120.1°120.1°
C1C6C5120.8°120.6°
C1C6H1119.6°119.7°
C6C1H10119.9°120.0°
C2C3C10118.5°120.0°
C2C3C4120.6°120.1°
C3C2H11120.1°120.2°
C6C5C4119.9°119.9°
C6C5C9119.2°118.4°
C5C6H1119.6°119.7°
C12C14C15119.5°120.5°
C14C12N3125.6°128.8°
C14C12C13119.3°118.3°
C12C14H15120.3°119.7°
C14C15C16120.7°120.6°
C14C15H6119.6°119.7°
C15C14H15120.2°119.8°
C12N3C11109.7°117.9°
N3C12C13115.1°112.9°
N3C11N2121.8°124.8°
N3C11S1117.2°110.4°
C11N2C10121.9°120.0°
N2C11S1121.0°124.8°
C11N2H14119.1°120.0°
N2C10C3116.7°120.0°
N2C10O1122.4°120.0°
C10N2H14119.1°120.0°
C12C13S1109.7°108.4°
C12C13C17121.2°120.4°
C15C16C17120.4°120.0°
C16C15H6119.6°119.7°
C15C16H16119.8°120.0°
C11S1C1388.3°90.5°
C10C3C4120.9°120.0°
C3C10O1120.8°120.0°
C3C4C5118.8°119.7°
C3C4C7120.0°118.4°
C4C5C9120.8°121.7°
C5C4C7121.1°121.9°
C5C9C8112.2°110.0°
C5C9H12108.8°109.4°
C5C9H13108.8°109.4°
C4C7N1112.7°110.5°
C4C7H2108.7°109.3°
C4C7H3108.6°109.2°
S1C13C17129.1°131.2°
C13C17C16118.9°120.2°
C13C17H7120.5°119.9°
C16C17H7120.6°120.0°
C17C16H16119.8°120.0°
C9C8N1111.0°108.5°
C9C8H4109.1°109.6°
C9C8H5109.1°109.7°
C8C9H12108.8°109.4°
C8C9H13108.8°109.4°
C7N1C8113.4°110.3°
C7N1C18118.5°111.0°
N1C7H2108.7°109.3°
N1C7H3108.6°109.3°
C8N1C18118.1°111.0°
N1C8H4109.1°109.7°
N1C8H5109.1°109.6°
N1C18N4116.1°119.5°
N1C18C19121.2°119.5°
N4C18C19122.6°121.0°
C18N4C22118.2°121.5°
C18C19C20118.3°119.6°
C18C19H17120.9°120.2°
N4C22C23114.8°119.9°
N4C22C21123.2°120.3°
C19C20C21120.3°118.6°
C19C20H8119.9°120.7°
C20C19H17120.8°120.2°
C23C22C21121.9°119.8°
C22C23O2115.4°120.1°
C22C23O3120.8°119.9°
C22C21C20117.3°119.0°
C22C21C24123.3°120.5°
C20C21C24119.4°120.5°
C21C20H8119.9°120.8°
O2C23O3123.9°120.0°
C23O3H18109.5°117.0°
C21C24C26126.4°126.3°
C21C24C25128.8°126.2°
C26C24C25104.7°107.5°
C24C26N6106.7°107.6°
C24C26H9126.6°126.2°
C24C25N5111.5°108.0°
C24C25H19124.2°125.9°
C26N6N5112.4°108.2°
C26N6C27128.1°125.9°
N6C26H9126.7°126.1°
C25N5N6104.7°108.6°
N5C25H19124.2°126.0°
N5N6C27119.5°125.9°
N6C27C28112.2°109.5°
N6C27H20108.8°109.4°
N6C27H21108.8°109.5°
C27C28C32121.2°120.8°
C27C28C29121.0°120.8°
C28C27H20108.8°109.5°
C28C27H21108.8°109.5°
C28C32C31119.3°119.2°
C32C28C29117.8°118.4°
C28C32H25120.4°120.4°
C32C31N7123.4°120.7°
C32C31H24118.3°119.7°
C31C32H25120.4°120.4°
C28C29C30119.2°119.2°
C28C29H22120.4°120.4°
C31N7C30116.9°121.7°
N7C31H24118.3°119.6°
C29C30N7123.4°120.7°
C30C29H22120.4°120.4°
C29C30H23118.3°119.6°
N7C30H23118.3°119.7°
H2C7H3109.5°109.2°
H4C8H5109.5°109.6°
H12C9H13109.5°109.3°
H20C27H21109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6H10180.0°179.9°
C1C2C3H11180.0°180.0°
C2C1C6C51.2°0.1°
C1C2C3C10176.5°179.9°
C1C2C3C40.0°0.0°
C2C1C6H1178.8°179.9°
C6C1C2C30.4°0.1°
C1C6C5H1180.0°180.0°
C1C6C5C41.5°0.2°
C1C6C5C9175.2°179.8°
C6C1C2H11179.6°179.9°
C2C3C10N218.9°0.1°
C2C3C10C4176.5°179.9°
C2C3C4C50.2°0.1°
C2C3C10O1157.0°180.0°
C2C3C4C7176.7°179.9°
C3C2C1H10179.5°179.9°
C6C5C4C31.0°0.3°
C6C5C4C9176.6°180.0°
C6C5C4C7175.9°179.7°
C6C5C9C8161.2°163.2°
C5C6C1H10178.8°180.0°
C6C5C9H1240.8°42.9°
C6C5C9H1378.4°76.7°
C12C14C15H15180.0°180.0°
C14C12N3C13179.5°180.0°
C14C12N3C11179.6°180.0°
C12C14C15C160.8°0.0°
C14C12C13S1179.2°180.0°
C14C12C13C171.2°0.0°
C12C14C15H6179.2°180.0°
C15C14C12N3179.9°180.0°
C15C14C12C130.6°0.0°
C14C15C16H6180.0°180.0°
C14C15C16C171.6°0.0°
C14C15C16H16178.4°180.0°
C12N3C11N2177.6°180.0°
C12N3C11S10.6°0.0°
N3C12C13S10.4°0.0°
N3C12C13C17179.2°180.0°
N3C12C14H150.1°0.0°
N3C11N2S1178.1°180.0°
N3C11N2C10176.0°180.0°
C11N3C12C130.1°0.0°
N3C11S1C130.7°0.0°
N3C11N2H144.0°0.0°
C11N2C10H14180.0°180.0°
C11N2C10C3167.4°179.9°
C11N2C10O18.5°0.0°
N2C11S1C13177.5°180.0°
C10N2C11S15.8°0.0°
N2C10C3O1175.9°179.9°
N2C10C3C4164.6°180.0°
C12C13S1C110.6°0.0°
C12C13S1C17179.5°180.0°
C12C13C17C160.5°0.0°
C12C13C17H7179.5°180.0°
C13C12C14H15179.4°180.0°
C15C16C17C131.0°0.1°
C15C16C17H16180.0°180.0°
C15C16C17H7179.1°180.0°
C16C15C14H15179.2°180.0°
C11S1C13C17179.0°180.0°
S1C11N2H14174.2°180.0°
C10C3C4C5176.7°179.8°
C10C3C4C70.2°0.2°
C10C3C2H113.5°0.0°
C3C10N2H1412.6°0.0°
C3C4C5C7176.8°180.0°
C3C4C5C9175.7°179.8°
C4C3C10O119.5°0.1°
C3C4C7N1165.0°162.7°
C3C4C7H244.5°77.0°
C3C4C7H374.5°42.4°
C4C3C2H11180.0°179.9°
C4C5C9C822.2°16.8°
C5C4C7N118.2°17.3°
C4C5C6H1178.5°179.8°
C5C4C7H2138.7°103.0°
C5C4C7H3102.3°137.6°
C4C5C9H12142.6°137.0°
C4C5C9H1398.2°103.3°
C9C5C4C77.5°0.2°
C5C9C8H12120.4°120.2°
C5C9C8H13120.4°120.1°
C5C9C8N148.2°50.4°
C9C5C6H14.8°0.2°
C5C9C8H472.0°170.1°
C5C9C8H5168.4°69.4°
C5C9H12H13118.8°119.7°
O1C10N2H14171.5°180.0°
C4C7N1H2120.5°120.3°
C4C7N1H3120.5°120.2°
C4C7N1C845.4°52.4°
C4C7N1C18169.6°175.8°
C4C7H2H3118.5°119.4°
S1C13C17C16180.0°179.9°
S1C13C17H70.0°0.0°
C13C17C16H7180.0°180.0°
C13C17C16H16179.0°180.0°
C17C16C15H6178.4°180.0°
C9C8N1C762.0°71.2°
C9C8N1H4120.2°119.7°
C9C8N1H5120.2°119.8°
C9C8N1C18152.9°165.4°
C9C8H4H5119.3°120.6°
C8C9H12H13118.8°119.7°
C7N1C8C18145.1°123.4°
C7N1C18N4176.9°0.0°
C7N1C18C191.4°179.2°
N1C7H2H3118.5°119.5°
C7N1C8H458.3°169.1°
C7N1C8H5177.8°48.6°
C8N1C18N439.7°123.0°
C8N1C18C19141.9°56.2°
C8N1C7H2165.9°67.9°
C8N1C7H375.0°172.6°
N1C8H4H5119.3°120.4°
N1C8C9H12168.6°170.6°
N1C8C9H1372.2°69.7°
N1C18N4C19178.3°179.2°
N1C18N4C22177.4°179.9°
N1C18C19C20177.7°179.8°
C18N1C7H249.1°55.5°
C18N1C7H369.9°64.0°
C18N1C8H486.9°45.7°
C18N1C8H532.7°74.8°
N1C18C19H172.3°0.8°
N4C18C19C200.5°0.6°
C18N4C22C23179.0°179.4°
C18N4C22C210.0°0.6°
N4C18C19H17179.5°180.0°
C19C18N4C220.9°0.9°
C18C19C20H17180.0°179.4°
C18C19C20C210.9°0.0°
C18C19C20H8179.1°179.7°
N4C22C23C21179.0°179.9°
N4C22C21C201.4°0.0°
N4C22C23O269.0°180.0°
N4C22C23O3111.3°0.0°
N4C22C21C24179.6°180.0°
C19C20C21C221.8°0.3°
C19C20C21H8180.0°179.7°
C19C20C21C24179.2°179.8°
C23C22C21C20179.7°180.0°
C22C23O2O3179.7°180.0°
C23C22C21C240.7°0.1°
C22C23O3H18179.7°180.0°
C22C21C20C24179.1°179.9°
C21C22C23O2112.0°0.1°
C21C22C23O367.7°180.0°
C22C21C24C26142.1°129.9°
C22C21C24C2542.1°50.3°
C22C21C20H8178.2°180.0°
C20C21C24C2638.9°50.0°
C20C21C24C25136.9°129.7°
C21C20C19H17179.1°179.4°
O2C23O3H180.0°0.0°
C21C24C26C25176.6°179.8°
C21C24C26N6176.0°180.0°
C21C24C25N5176.1°180.0°
C24C21C20H80.8°0.0°
C21C24C26H94.0°0.0°
C21C24C25H193.9°0.0°
C24C26N6H9180.0°180.0°
C26C24C25N50.4°0.2°
C24C26N6N50.7°0.1°
C24C26N6C27176.1°180.0°
C26C24C25H19179.6°179.8°
C25C24C26N60.7°0.2°
C24C25N5H19180.0°180.0°
C24C25N5N60.0°0.1°
C25C24C26H9179.3°179.8°
C26N6N5C250.4°0.0°
C26N6N5C27177.1°179.9°
C26N6C27C2879.8°125.0°
C26N6C27H20159.8°5.0°
C26N6C27H2140.6°115.0°
C25N5N6C27176.7°179.9°
N5N6C27C2896.7°54.8°
N5N6C26H9179.3°179.9°
N6N5C25H19180.0°179.8°
N5N6C27H2023.7°174.9°
N5N6C27H21142.8°65.2°
N6C27C28H20120.4°120.0°
N6C27C28H21120.4°120.0°
N6C27C28C32104.9°90.3°
N6C27C28C2976.5°90.0°
C27N6C26H93.9°0.0°
N6C27H20H21118.8°120.0°
C27C28C32C29178.6°179.7°
C27C28C32C31178.2°179.7°
C27C28C29C30178.0°179.9°
C28C27H20H21118.7°120.0°
C27C28C29H221.9°0.0°
C27C28C32H251.8°0.3°
C28C32C31H25180.0°179.4°
C28C32C31N70.1°0.6°
C32C28C29C300.5°0.2°
C32C28C27H20134.6°29.7°
C32C28C27H2115.5°149.7°
C32C28C29H22179.5°179.7°
C28C32C31H24179.9°179.6°
C31C32C28C290.4°0.6°
C32C31N7H24180.0°179.8°
C32C31N7C300.0°0.3°
C28C29C30H22180.0°179.9°
C28C29C30N70.5°0.1°
C29C28C27H2043.9°150.0°
C29C28C27H21163.1°30.0°
C28C29C30H23179.5°180.0°
C29C28C32H25179.6°179.9°
C31N7C30C290.2°0.0°
C31N7C30H23179.7°180.0°
N7C31C32H25179.9°180.0°
C29C30N7H23180.0°180.0°
N7C30C29H22179.5°180.0°
C30N7C31H24180.0°179.9°
H1C6C1H101.2°0.0°
H4C8C9H1248.4°69.7°
H4C8C9H13167.6°50.0°
H5C8C9H1271.2°50.8°
H5C8C9H1348.0°170.5°
H6C15C14H150.8°0.0°
H6C15C16H161.6°0.0°
H7C17C16H160.9°0.0°
H8C20C19H170.8°0.3°
H10C1C2H110.5°0.2°
H22C29C30H230.5°0.1°
H24C31C32H250.1°0.2°

223532

PDB entries from 2024-08-07

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