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4US

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C4C5doub1.38Å1.39ÅAromatic
C4C3sing1.39Å1.40ÅAromatic
C5C6sing1.40Å1.40ÅAromatic
C22C21doub1.38Å1.38ÅAromatic
C22C23sing1.38Å1.38ÅAromatic
N1C7sing1.35Å1.32Å
C21C15sing1.39Å1.40ÅAromatic
C23C24doub1.38Å1.39ÅAromatic
C15C3sing1.48Å1.50Å
C15C25doub1.40Å1.39ÅAromatic
C3C2doub1.40Å1.41ÅAromatic
C6C7sing1.47Å1.50Å
C6C1doub1.41Å1.40ÅAromatic
C7O1doub1.22Å1.26Å
C24C25sing1.38Å1.39ÅAromatic
C25CL1sing1.74Å1.72Å
C2C1sing1.40Å1.42ÅAromatic
C2C9sing1.47Å1.45ÅAromatic
C1N2sing1.38Å1.38ÅAromatic
N2C8sing1.38Å1.38ÅAromatic
C9C13doub1.40Å1.40ÅAromatic
C9C8sing1.41Å1.41ÅAromatic
C13C12sing1.36Å1.39ÅAromatic
C8C10doub1.39Å1.38ÅAromatic
C12C11doub1.40Å1.40ÅAromatic
C10C11sing1.39Å1.39ÅAromatic
C11C14sing1.48Å1.49Å
C14O2doub1.22Å1.22Å
C14N3sing1.35Å1.35Å
C16N3sing1.47Å1.47Å
C16C17sing1.53Å1.53Å
N3C19sing1.47Å1.48Å
C17N4sing1.47Å1.47Å
N4C20sing1.47Å1.47Å
N4C18sing1.47Å1.46Å
C19C18sing1.53Å1.53Å
C13H8sing1.08Å1.08Å
C18H14sing1.09Å1.10Å
C18H13sing1.09Å1.10Å
C17H12sing1.09Å1.10Å
C17H11sing1.09Å1.10Å
C16H10sing1.09Å1.10Å
C16H9sing1.09Å1.10Å
C19H16sing1.09Å1.10Å
C19H15sing1.09Å1.10Å
C20H18sing1.09Å1.10Å
C20H17sing1.09Å1.10Å
C20H19sing1.09Å1.10Å
C21H20sing1.08Å1.08Å
C22H21sing1.08Å1.08Å
C23H22sing1.08Å1.08Å
C24H23sing1.08Å1.08Å
C12H7sing1.08Å1.08Å
C4H1sing1.08Å1.08Å
C5H2sing1.08Å1.08Å
N1H3sing0.97Å1.00Å
N1H4sing0.97Å1.00Å
N2H5sing0.97Å1.00Å
C10H6sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C5C4C3121.1°120.3°
C4C5C6121.5°120.6°
C5C4H1119.4°119.8°
C4C5H2119.2°119.7°
C4C3C15118.7°120.1°
C4C3C2118.6°119.9°
C3C4H1119.5°119.9°
C5C6C7122.9°120.0°
C5C6C1117.4°119.9°
C6C5H2119.2°119.7°
C21C22C23120.5°120.2°
C22C21C15120.8°119.8°
C22C21H20119.6°120.1°
C21C22H21119.7°119.9°
C22C23C24119.9°120.3°
C23C22H21119.7°119.9°
C22C23H22120.1°119.8°
N1C7C6119.7°120.0°
N1C7O1120.6°120.0°
C7N1H3120.0°120.0°
C7N1H4120.0°120.0°
C21C15C3119.2°120.1°
C21C15C25117.8°119.7°
C15C21H20119.6°120.0°
C23C24C25119.4°120.1°
C24C23H22120.0°119.9°
C23C24H23120.3°119.9°
C3C15C25123.0°120.1°
C15C3C2122.7°120.1°
C15C25C24121.5°119.8°
C15C25CL1120.1°120.1°
C3C2C1119.6°120.1°
C3C2C9133.9°133.4°
C7C6C1119.4°120.0°
C6C7O1119.2°120.0°
C6C1C2121.8°119.2°
C6C1N2129.2°132.2°
C24C25CL1118.3°120.1°
C25C24H23120.3°119.9°
C1C2C9106.5°106.5°
C2C1N2108.9°108.6°
C2C9C13135.2°133.5°
C2C9C8106.2°106.3°
C1N2C8109.1°110.3°
C1N2H5125.5°124.8°
N2C8C9109.3°108.3°
N2C8C10128.5°132.3°
C8N2H5125.5°124.8°
C13C9C8118.5°120.2°
C9C13C12119.5°120.1°
C9C13H8120.3°119.9°
C9C8C10121.9°119.4°
C13C12C11121.0°120.3°
C12C13H8120.3°120.0°
C13C12H7119.5°119.8°
C8C10C11118.7°119.7°
C8C10H6120.7°120.1°
C12C11C10119.9°120.3°
C12C11C14121.0°119.9°
C11C12H7119.5°119.9°
C10C11C14119.1°119.8°
C11C10H6120.7°120.2°
C11C14O2117.7°120.0°
C11C14N3120.8°120.0°
O2C14N3121.5°120.0°
C14N3C16126.3°120.9°
C14N3C19120.9°120.9°
N3C16C17112.1°108.5°
C16N3C19112.8°118.2°
N3C16H10108.8°109.6°
N3C16H9108.8°109.6°
C16C17N4111.9°109.3°
C16C17H12108.9°109.5°
C16C17H11108.9°109.5°
C17C16H10108.8°109.7°
C17C16H9108.8°109.6°
N3C19C18111.5°108.5°
N3C19H16109.0°109.6°
N3C19H15109.0°109.8°
C17N4C20109.8°111.0°
C17N4C18110.1°111.3°
N4C17H12108.8°109.5°
N4C17H11108.9°109.4°
C20N4C18110.3°111.0°
N4C20H18109.5°109.4°
N4C20H17109.5°109.5°
N4C20H19109.5°109.5°
N4C18C19111.3°109.3°
N4C18H14109.0°109.5°
N4C18H13109.0°109.5°
C19C18H14109.0°109.5°
C19C18H13109.0°109.5°
C18C19H16109.0°109.6°
C18C19H15109.0°109.6°
H14C18H13109.5°109.5°
H12C17H11109.5°109.5°
H10C16H9109.4°109.8°
H16C19H15109.5°109.6°
H18C20H17109.4°109.4°
H18C20H19109.5°109.5°
H17C20H19109.5°109.5°
H3N1H4120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C5C4C3H1180.0°180.0°
C4C5C6H2180.0°179.9°
C5C4C3C15178.5°179.9°
C5C4C3C20.5°0.0°
C4C5C6C7174.8°180.0°
C4C5C6C11.3°0.0°
C3C4C5C60.0°0.0°
C4C3C15C2168.2°64.7°
C4C3C15C2179.0°180.0°
C4C3C15C25109.6°115.0°
C4C3C2C10.3°0.0°
C4C3C2C9178.5°180.0°
C3C4C5H2180.0°180.0°
C5C6C7N115.7°0.0°
C5C6C7C1173.4°180.0°
C5C6C7O1157.0°180.0°
C5C6C1C22.2°0.0°
C5C6C1N2179.0°179.9°
C6C5C4H1180.0°180.0°
C21C22C23H21180.0°180.0°
C22C21C15H20180.0°179.9°
C21C22C23C240.3°0.0°
C22C21C15C3175.2°180.0°
C22C21C15C252.8°0.3°
C21C22C23H22179.6°180.0°
C23C22C21C152.3°0.0°
C22C23C24H22180.0°180.0°
C22C23C24C251.0°0.3°
C23C22C21H20177.7°179.9°
C22C23C24H23179.0°179.9°
N1C7C6O1172.7°179.9°
N1C7C6C1170.9°180.0°
C7N1H3H4180.0°179.9°
C21C15C3C25177.8°179.7°
C21C15C3C2112.8°115.3°
C21C15C25C241.4°0.6°
C21C15C25CL1177.4°179.7°
C15C21C22H21177.7°180.0°
C23C24C25C150.5°0.6°
C23C24C25H23180.0°179.7°
C23C24C25CL1179.3°179.7°
C24C23C22H21179.7°180.0°
C3C15C25C24176.5°179.8°
C3C15C25CL14.8°0.0°
C15C3C2C1179.3°180.0°
C15C3C2C90.5°0.0°
C3C15C21H204.8°0.0°
C15C3C4H11.5°0.0°
C25C15C3C269.4°65.0°
C15C25C24CL1178.8°179.7°
C25C15C21H20177.2°179.7°
C15C25C24H23179.5°179.7°
C3C2C1C61.8°0.0°
C3C2C1C9179.1°180.0°
C3C2C1N2179.1°180.0°
C3C2C9C134.7°0.0°
C3C2C9C8179.4°180.0°
C2C3C4H1179.5°180.0°
C7C6C1C2175.9°180.0°
C7C6C1N27.2°0.1°
C7C6C5H25.2°0.1°
C6C7N1H3172.6°0.1°
C6C7N1H47.4°180.0°
C1C6C7O116.4°0.0°
C6C1C2N2177.4°180.0°
C6C1C2C9177.3°180.0°
C6C1N2C8177.6°179.9°
C1C6C5H2178.7°179.9°
C6C1N2H52.4°0.0°
O1C7N1H30.0°180.0°
O1C7N1H4180.0°0.1°
C25C24C23H22179.0°179.7°
CL1C25C24H230.7°0.0°
C2C1N2C80.5°0.1°
C1C2C9C13176.4°180.0°
C1C2C9C80.5°0.0°
C2C1N2H5179.5°180.0°
C9C2C1N20.1°0.0°
C2C9C8N20.8°0.1°
C2C9C13C8175.5°180.0°
C2C9C13C12172.0°180.0°
C2C9C8C10174.1°179.4°
C2C9C13H88.0°0.3°
C1N2C8H5180.0°179.9°
C1N2C8C90.8°0.1°
C1N2C8C10173.7°179.3°
N2C8C9C13177.5°179.9°
N2C8C9C10174.9°179.3°
N2C8C10C11170.7°180.0°
N2C8C10H69.2°0.1°
C9C13C12H8180.0°179.7°
C13C9C8C102.6°0.7°
C9C13C12C111.2°0.3°
C9C13C12H7178.8°179.8°
C8C9C13C123.5°0.0°
C9C8C10C113.2°1.0°
C8C9C13H8176.5°179.7°
C9C8N2H5179.2°180.0°
C9C8C10H6176.9°179.1°
C13C12C11H7180.0°179.9°
C13C12C11C107.1°0.0°
C13C12C11C14172.9°180.0°
C8C10C11C127.9°0.6°
C8C10C11H6180.0°179.9°
C8C10C11C14172.1°179.4°
C10C8N2H56.3°0.9°
C12C11C10C14180.0°180.0°
C12C11C14O2101.0°49.6°
C12C11C14N377.0°130.5°
C11C12C13H8178.8°180.0°
C12C11C10H6172.1°179.5°
C10C11C14O279.0°130.4°
C10C11C14N3103.0°49.5°
C10C11C12H7172.9°179.9°
C11C14O2N3178.0°179.9°
C11C14N3C163.2°3.8°
C11C14N3C19176.8°176.2°
C14C11C12H77.1°0.1°
C14C11C10H67.9°0.5°
O2C14N3C16178.9°176.2°
O2C14N3C191.1°3.9°
C14N3C16C19179.9°180.0°
C14N3C16C17122.4°128.7°
C14N3C19C18142.7°128.8°
C14N3C16H10117.2°111.4°
C14N3C16H91.9°9.1°
C14N3C19H1622.4°9.1°
C14N3C19H1596.9°111.4°
N3C16C17H10120.4°119.7°
N3C16C17H9120.4°119.6°
N3C16C17N414.7°53.9°
C16N3C19C1837.2°51.2°
N3C16C17H12135.0°66.1°
N3C16C17H11105.7°173.8°
N3C16H10H9118.8°120.4°
C16N3C19H16157.5°170.9°
C16N3C19H1583.1°68.7°
C17C16N3C1957.6°51.2°
C16C17N4H12120.4°120.0°
C16C17N4H11120.4°119.9°
C16C17N4C20166.5°172.7°
C16C17N4C1845.0°63.2°
C16C17H12H11118.9°120.1°
C17C16H10H9118.8°120.5°
N3C19C18N422.9°53.8°
N3C19C18H16120.3°119.7°
N3C19C18H15120.3°119.9°
N3C19C18H1497.4°173.8°
N3C19C18H13143.1°66.1°
C19N3C16H1062.8°68.6°
C19N3C16H9178.0°170.9°
N3C19H16H15119.1°120.6°
C17N4C20C18121.4°124.2°
C17N4C18C1965.9°63.1°
C17N4C18H1454.4°176.9°
C17N4C18H13173.8°56.8°
N4C17H12H11118.9°120.0°
N4C17C16H10105.7°65.8°
N4C17C16H9135.1°173.5°
C17N4C20H18180.0°60.1°
C17N4C20H1760.0°180.0°
C17N4C20H1960.0°60.0°
C20N4C18C19172.8°172.8°
C20N4C18H1466.9°52.8°
C20N4C18H1352.6°67.3°
C20N4C17H1246.2°67.2°
C20N4C17H1173.1°52.9°
N4C20H18H17120.0°119.9°
N4C20H18H19120.0°120.1°
N4C20H17H19120.0°120.1°
N4C18C19H14120.3°120.0°
N4C18C19H13120.3°119.9°
N4C18H14H13119.2°120.1°
C18N4C17H1275.4°56.8°
C18N4C17H11165.4°176.9°
N4C18C19H1697.4°173.5°
N4C18C19H15143.2°66.1°
C18N4C20H1858.5°175.7°
C18N4C20H1761.4°55.7°
C18N4C20H19178.6°64.3°
C19C18H14H13119.2°120.1°
C18C19H16H15119.1°120.4°
H8C13C12H71.2°0.1°
H14C18C19H16142.3°66.5°
H14C18C19H1522.9°53.9°
H13C18C19H1622.8°53.6°
H13C18C19H1596.5°174.0°
H12C17C16H1014.6°174.2°
H12C17C16H9104.5°53.5°
H11C17C16H10133.9°54.1°
H11C17C16H914.7°66.6°
H18C20H17H19120.0°120.0°
H20C21C22H212.3°0.1°
H21C22C23H220.4°0.0°
H22C23C24H231.0°0.0°
H1C4C5H20.0°0.1°

225946

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