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61P

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C14C15doub1.38Å1.38ÅAromatic
C14C13sing1.38Å1.38ÅAromatic
C15C16sing1.40Å1.39ÅAromatic
C13C12doub1.40Å1.39ÅAromatic
C16C17sing1.48Å1.46Å
C16C29doub1.39Å1.40ÅAromatic
C17N4doub1.30Å1.28Å
C12C29sing1.40Å1.40ÅAromatic
C12C11sing1.48Å1.47Å
N4N5sing1.40Å1.38Å
N5C18sing1.35Å1.35Å
C18C19sing1.51Å1.53Å
C18O1doub1.21Å1.23Å
C19N6sing1.47Å1.50Å
C19C20sing1.53Å1.53Å
C26C27doub1.37Å1.39ÅAromatic
C26C25sing1.39Å1.39ÅAromatic
C27C28sing1.40Å1.39ÅAromatic
C25C24doub1.38Å1.39ÅAromatic
C28C21sing1.46Å1.44ÅAromatic
C28C23doub1.41Å1.41ÅAromatic
C20C21sing1.51Å1.50Å
C24C23sing1.39Å1.39ÅAromatic
C21C22doub1.34Å1.37ÅAromatic
C23N7sing1.38Å1.37ÅAromatic
C22N7sing1.37Å1.37ÅAromatic
C11H1sing1.08Å1.08Å
C13H4sing1.08Å1.08Å
C14H5sing1.08Å1.08Å
C15H6sing1.08Å1.08Å
C19H8sing1.09Å1.10Å
C20H9sing1.09Å1.10Å
C20H10sing1.09Å1.10Å
C27H11sing1.08Å1.08Å
C26H12sing1.08Å1.08Å
C25H13sing1.08Å1.08Å
C24H14sing1.08Å1.08Å
N7H15sing0.97Å1.00Å
C22H16sing1.08Å1.08Å
N6H17sing1.01Å1.00Å
N6H18sing1.01Å1.00Å
N5H20sing0.97Å1.00Å
C17H21sing1.08Å1.08Å
C29H23sing1.08Å1.08Å
C11N1doub1.30Å63.89Å
N1N2sing1.40Å0.00Å
N2C3sing1.35Å0.00Å
C3C4sing1.51Å0.00Å
C3O2doub1.21Å0.00Å
C4N3sing1.47Å0.00Å
C4C7sing1.53Å0.00Å
C7C8sing1.51Å0.00Å
C8N8sing1.37Å0.00ÅAromatic
C8C2doub1.34Å0.00ÅAromatic
N8C9sing1.38Å0.00ÅAromatic
C2C6sing1.47Å0.00ÅAromatic
C6C9sing1.41Å0.00ÅAromatic
C9C5doub1.39Å0.00ÅAromatic
C6C10doub1.40Å0.00ÅAromatic
C10C30sing1.37Å0.00ÅAromatic
C5C1sing1.38Å0.00ÅAromatic
C30C1doub1.39Å0.00ÅAromatic
N2H2sing0.97Å0.00Å
C4H3sing1.09Å0.00Å
N3H7sing1.01Å0.00Å
N3H19sing1.01Å0.00Å
C7H22sing1.09Å0.00Å
C7H24sing1.09Å0.00Å
N8H25sing0.97Å0.00Å
C2H26sing1.08Å0.00Å
C5H27sing1.08Å0.00Å
C10H28sing1.08Å0.00Å
C30H29sing1.08Å0.00Å
C1H30sing1.08Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C15C14C13120.2°120.3°
C14C15C16120.7°120.2°
C15C14H5119.9°119.9°
C14C15H6119.7°119.9°
C14C13C12120.6°120.2°
C14C13H4119.7°120.0°
C13C14H5119.9°119.8°
C15C16C17119.7°120.1°
C15C16C29118.7°119.8°
C16C15H6119.6°119.9°
C13C12C29118.8°119.8°
C13C12C11120.4°120.1°
C12C13H4119.7°119.9°
C17C16C29121.6°120.1°
C16C17N4122.3°120.0°
C16C17H21118.8°119.9°
C16C29C12121.0°119.7°
C16C29H23119.5°120.2°
C17N4N5114.4°120.0°
N4C17H21118.9°120.1°
C29C12C11120.8°120.1°
C12C29H23119.5°120.1°
C12C11H1156.7°120.0°
C12C11N146.6°119.9°
N4N5C18120.2°120.0°
N4N5H20119.9°120.0°
N5C18C19115.3°120.0°
N5C18O1124.0°120.0°
C18N5H20119.9°120.0°
C19C18O1120.7°120.0°
C18C19N6108.3°109.5°
C18C19C20111.0°109.4°
C18C19H8108.5°109.4°
N6C19C20111.8°109.5°
N6C19H8108.9°109.5°
C19N6H17109.5°111.0°
C19N6H18109.5°111.0°
C19C20C21114.7°109.4°
C20C19H8108.4°109.5°
C19C20H9108.2°109.5°
C19C20H10108.1°109.5°
C27C26C25120.8°120.5°
C26C27C28119.9°119.8°
C26C27H11120.1°120.1°
C27C26H12119.6°119.8°
C26C25C24120.6°120.7°
C25C26H12119.6°119.7°
C26C25H13119.7°119.7°
C27C28C21134.3°134.0°
C27C28C23118.6°119.9°
C28C27H11120.1°120.1°
C25C24C23118.4°119.8°
C24C25H13119.7°119.6°
C25C24H14120.8°120.1°
C21C28C23107.1°106.1°
C28C21C20127.3°126.5°
C28C21C22106.2°106.9°
C28C23C24121.8°119.3°
C28C23N7107.5°107.1°
C20C21C22126.6°126.5°
C21C20H9108.1°109.5°
C21C20H10108.2°109.5°
C24C23N7130.7°133.5°
C23C24H14120.8°120.1°
C21C22N7110.3°109.9°
C21C22H16124.9°125.0°
C23N7C22109.0°109.9°
C23N7H15125.5°125.1°
C22N7H15125.5°125.0°
N7C22H16124.8°125.1°
H1C11N1156.7°120.1°
H9C20H10109.5°109.5°
H17N6H18109.5°111.0°
C11N1N290.0°120.0°
N1N2C390.0°120.0°
N1N2H290.0°120.0°
N2C3C490.0°120.0°
N2C3O290.0°120.0°
C3N2H290.0°120.0°
C4C3O290.0°120.0°
C3C4N390.0°109.4°
C3C4C790.0°109.5°
C3C4H390.0°109.5°
N3C4C790.0°109.5°
N3C4H390.0°109.4°
C4N3H790.0°111.0°
C4N3H1990.0°111.0°
C4C7C890.0°109.4°
C7C4H390.0°109.5°
C4C7H2290.0°109.5°
C4C7H2490.0°109.5°
C7C8N890.0°125.0°
C7C8C290.0°125.0°
C8C7H2290.0°109.5°
C8C7H2490.0°109.5°
N8C8C290.0°110.0°
C8N8C990.0°109.8°
C8N8H2590.0°125.1°
C8C2C690.0°107.0°
C8C2H2690.0°126.5°
N8C9C690.0°107.2°
N8C9C590.0°133.5°
C9N8H2590.0°125.1°
C2C6C990.0°106.0°
C2C6C1090.0°134.0°
C6C2H2690.0°126.5°
C6C9C590.0°119.3°
C9C6C1090.0°119.9°
C9C5C190.0°119.8°
C9C5H2790.0°120.1°
C6C10C3090.0°119.8°
C6C10H2890.0°120.1°
C10C30C190.0°120.5°
C30C10H2890.0°120.1°
C10C30H2990.0°119.7°
C5C1C3090.0°120.7°
C1C5H2790.0°120.1°
C5C1H3090.0°119.7°
C1C30H2990.0°119.8°
C30C1H3090.0°119.6°
H7N3H1990.0°111.0°
H22C7H2490.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C15C14C13H5180.0°179.9°
C14C15C16H6180.0°180.0°
C15C14C13C120.6°0.1°
C14C15C16C17179.2°180.0°
C14C15C16C290.9°0.0°
C15C14C13H4179.4°180.0°
C13C14C15C160.3°0.1°
C14C13C12H4180.0°180.0°
C14C13C12C290.7°0.0°
C14C13C12C11178.4°179.7°
C13C14C15H6179.8°180.0°
C15C16C17C29180.0°180.0°
C15C16C17N4178.7°0.0°
C15C16C29C120.7°0.1°
C16C15C14H5179.7°180.0°
C15C16C17H211.3°180.0°
C15C16C29H23179.3°179.8°
C13C12C29C160.1°0.0°
C13C12C29C11179.1°179.7°
C13C12C11H1169.9°179.7°
C12C13C14H5179.5°180.0°
C13C12C29H23179.9°179.8°
C13C12C11N110.2°0.0°
C16C17N4H21180.0°179.9°
C17C16C29C12179.4°180.0°
C16C17N4N5179.6°180.0°
C17C16C15H60.8°0.0°
C17C16C29H230.6°0.2°
C29C16C17N41.3°179.9°
C16C29C12H23180.0°179.8°
C16C29C12C11179.0°179.7°
C29C16C15H6179.2°180.0°
C29C16C17H21178.7°0.0°
C17N4N5C18174.0°180.0°
C17N4N5H206.0°0.1°
C29C12C11H111.1°0.0°
C29C12C13H4179.2°180.0°
C29C12C11N1168.9°179.7°
C12C11H1N1179.9°179.8°
C11C12C13H41.7°0.3°
C11C12C29H231.0°0.1°
C12C11N1N290.0°179.7°
N4N5C18H20180.0°179.9°
N4N5C18C19178.9°180.0°
N4N5C18O11.6°0.0°
N5N4C17H210.4°0.1°
N5C18C19O1179.5°180.0°
N5C18C19N6114.5°160.0°
N5C18C19C20122.5°80.0°
N5C18C19H83.5°40.0°
C18C19N6C20122.6°120.0°
C18C19N6H8117.7°120.0°
C18C19C20H8119.0°119.9°
C18C19C20C2156.2°175.0°
C18C19C20H9177.0°65.1°
C18C19C20H1064.5°55.0°
C18C19N6H17180.0°60.0°
C18C19N6H1860.0°176.0°
C19C18N5H201.1°0.1°
O1C18C19N666.1°20.0°
O1C18C19C2057.0°100.0°
O1C18C19H8176.0°140.1°
O1C18N5H20178.4°179.9°
N6C19C20H8120.0°120.1°
N6C19C20C21177.2°65.0°
N6C19C20H962.0°54.9°
N6C19C20H1056.5°175.0°
C19N6H17H18120.0°124.0°
C19C20C21C28110.1°85.3°
C19C20C21H9120.8°120.0°
C19C20C21H10120.8°120.0°
C19C20C21C2271.9°95.1°
C19C20H9H10117.6°120.0°
C20C19N6H1757.4°60.0°
C20C19N6H18177.4°64.0°
C27C26C25H12180.0°179.9°
C26C27C28H11180.0°180.0°
C27C26C25C240.1°0.1°
C26C27C28C21179.5°180.0°
C26C27C28C230.0°0.0°
C27C26C25H13179.9°180.0°
C25C26C27C280.2°0.1°
C26C25C24H13180.0°179.9°
C26C25C24C230.2°0.1°
C25C26C27H11179.8°179.9°
C26C25C24H14179.8°180.0°
C27C28C21C23179.5°180.0°
C27C28C21C201.4°0.0°
C27C28C23C240.3°0.0°
C27C28C21C22179.7°179.7°
C27C28C23N7179.8°180.0°
C28C27C26H12179.8°180.0°
C25C24C23C280.4°0.0°
C25C24C23H14180.0°180.0°
C25C24C23N7179.7°180.0°
C24C25C26H12179.9°180.0°
C28C21C20C22178.0°179.7°
C21C28C23C24179.9°180.0°
C21C28C23N70.2°0.0°
C28C21C22N70.1°0.4°
C28C21C20H910.7°34.7°
C28C21C20H10129.2°154.7°
C21C28C27H110.6°0.0°
C28C21C22H16179.8°179.8°
C23C28C21C20178.2°179.9°
C28C23C24N7180.0°180.0°
C23C28C21C220.2°0.2°
C28C23N7C220.1°0.3°
C23C28C27H11179.9°180.0°
C28C23C24H14179.6°180.0°
C28C23N7H15179.9°180.0°
C20C21C22N7178.2°179.9°
C21C20C19H862.7°55.0°
C21C20H9H10117.6°120.0°
C20C21C22H161.8°0.0°
C24C23N7C22180.0°179.8°
C23C24C25H13179.8°180.0°
C24C23N7H150.0°0.0°
C21C22N7C230.0°0.4°
C21C22N7H16180.0°179.9°
C22C21C20H9167.3°145.0°
C22C21C20H1048.8°24.9°
C21C22N7H15180.0°179.8°
C23N7C22H15180.0°179.8°
N7C23C24H140.3°0.0°
C23N7C22H16179.9°179.7°
H1C11N1N290.0°0.0°
H4C13C14H50.6°0.0°
H5C14C15H60.2°0.0°
H8C19C20H958.0°175.0°
H8C19C20H10176.5°64.9°
H8C19N6H1762.3°180.0°
H8C19N6H1857.7°56.0°
H11C27C26H120.2°0.0°
H12C26C25H130.1°0.1°
H13C25C24H140.2°0.1°
H15N7C22H160.1°0.0°
C11N1N2C390.0°179.9°
C11N1N2H290.0°0.0°
N1N2C3H290.0°179.9°
N1N2C3C490.0°180.0°
N1N2C3O290.0°0.0°
N2C3C4O290.0°179.9°
N2C3C4N390.0°160.0°
N2C3C4C790.0°80.0°
N2C3C4H390.0°40.1°
C3C4N3C790.0°120.0°
C3C4N3H390.0°119.9°
C3C4C7H390.0°120.0°
C3C4C7C890.0°175.0°
C4C3N2H290.0°0.1°
C3C4N3H790.0°60.0°
C3C4N3H1990.0°176.0°
C3C4C7H2290.0°65.0°
C3C4C7H2490.0°55.0°
O2C3C4N390.0°20.0°
O2C3C4C790.0°100.0°
O2C3N2H290.0°180.0°
O2C3C4H390.0°140.0°
N3C4C7H390.0°120.0°
N3C4C7C890.0°65.0°
C4N3H7H1990.0°124.0°
N3C4C7H2290.0°55.0°
N3C4C7H2490.0°175.0°
C4C7C8H2290.0°120.0°
C4C7C8H2490.0°120.0°
C4C7C8N890.0°95.0°
C4C7C8C290.0°85.3°
C7C4N3H790.0°60.0°
C7C4N3H1990.0°64.0°
C4C7H22H2490.0°120.0°
C7C8N8C290.0°179.8°
C7C8N8C990.0°180.0°
C7C8C2C690.0°180.0°
C8C7C4H390.0°55.0°
C8C7H22H2490.0°120.0°
C7C8N8H2590.0°0.0°
C7C8C2H2690.0°0.0°
C8N8C9H2590.0°180.0°
N8C8C2C690.0°0.2°
C8N8C9C690.0°0.1°
C8N8C9C590.0°180.0°
N8C8C7H2290.0°25.0°
N8C8C7H2490.0°145.0°
N8C8C2H2690.0°179.8°
C2C8N8C990.0°0.2°
C8C2C6H2690.0°180.0°
C8C2C6C990.0°0.2°
C8C2C6C1090.0°180.0°
C2C8C7H2290.0°154.7°
C2C8C7H2490.0°34.7°
C2C8N8H2590.0°179.8°
N8C9C6C290.0°0.0°
N8C9C6C590.0°179.9°
N8C9C6C1090.0°179.9°
N8C9C5C190.0°180.0°
N8C9C5H2790.0°0.0°
C2C6C9C1090.0°179.8°
C2C6C9C590.0°179.9°
C2C6C10C3090.0°180.0°
C2C6C10H2890.0°0.0°
C9C6C10C3090.0°0.2°
C6C9C5C190.0°0.1°
C6C9N8H2590.0°179.9°
C9C6C2H2690.0°179.9°
C6C9C5H2790.0°179.9°
C9C6C10H2890.0°179.8°
C5C9C6C1090.0°0.0°
C9C5C1H2790.0°180.0°
C9C5C1C3090.0°0.1°
C5C9N8H2590.0°0.0°
C9C5C1H3090.0°180.0°
C6C10C30H2890.0°180.0°
C6C10C30C190.0°0.2°
C10C6C2H2690.0°0.0°
C6C10C30H2990.0°179.9°
C10C30C1C590.0°0.1°
C10C30C1H2990.0°179.7°
C10C30C1H3090.0°179.8°
C5C1C30H3090.0°179.9°
C5C1C30H2990.0°179.8°
C30C1C5H2790.0°179.9°
C1C30C10H2890.0°179.8°
H3C4N3H790.0°180.0°
H3C4N3H1990.0°56.0°
H3C4C7H2290.0°175.0°
H3C4C7H2490.0°65.0°
H27C5C1H3090.0°0.0°
H28C10C30H2990.0°0.1°
H29C30C1H3090.0°0.1°

224931

PDB entries from 2024-09-11

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