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54N

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N3N4sing1.39Å1.37Å
N3C14sing1.35Å1.36Å
OC14doub1.22Å1.23Å
N4C15doub1.30Å1.29Å
C14C13sing1.46Å1.48Å
C4C3sing1.38Å1.38ÅAromatic
C4C5doub1.38Å1.39ÅAromatic
C3C2doub1.40Å1.40ÅAromatic
C6C5sing1.51Å1.51Å
C6N1sing1.47Å1.46Å
C15C12sing1.46Å1.44Å
C5Nsing1.32Å1.35ÅAromatic
C19C20doub1.38Å1.39ÅAromatic
C19C18sing1.38Å1.38ÅAromatic
C13C12sing1.41Å1.42ÅAromatic
C13C9doub1.41Å1.41ÅAromatic
FC18sing1.35Å1.36Å
C20C21sing1.39Å1.39ÅAromatic
C12C11doub1.41Å1.44ÅAromatic
C2C9sing1.48Å1.50Å
C2C1sing1.40Å1.45ÅAromatic
C7N1sing1.47Å1.46Å
C18C17doub1.39Å1.39ÅAromatic
C9C10sing1.39Å1.39ÅAromatic
NC1doub1.32Å1.34ÅAromatic
N1C8sing1.47Å1.46Å
C1Csing1.51Å1.50Å
C21O1sing1.36Å1.38Å
C21C22doub1.39Å1.39ÅAromatic
C11N5sing1.39Å1.35Å
C11N2sing1.32Å1.35ÅAromatic
C10N2doub1.32Å1.34ÅAromatic
N5C16sing1.46Å1.46Å
C17C22sing1.38Å1.42ÅAromatic
C17C16sing1.51Å1.52Å
O1C24sing1.44Å1.46Å
C22C23sing1.52Å1.51Å
C24C23sing1.55Å1.53Å
C3H1sing1.08Å1.08Å
C7H2sing1.09Å1.10Å
C7H3sing1.09Å1.10Å
C7H4sing1.09Å1.10Å
C8H5sing1.09Å1.10Å
C8H6sing1.09Å1.10Å
C8H7sing1.09Å1.10Å
C16H10sing1.09Å1.10Å
C16H11sing1.09Å1.10Å
C19H12sing1.08Å1.08Å
C20H13sing1.08Å1.08Å
N5H16sing0.97Å1.00Å
C4H18sing1.08Å1.08Å
C6H19sing1.09Å1.10Å
C6H20sing1.09Å1.10Å
C10H8sing1.08Å1.08Å
C15H9sing1.08Å1.08Å
C24H14sing1.09Å1.10Å
C24H15sing1.09Å1.10Å
C23H17sing1.09Å1.10Å
C23H21sing1.09Å1.10Å
N3H22sing0.97Å1.00Å
CH23sing1.09Å1.10Å
CH24sing1.09Å1.10Å
CH25sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N4N3C14128.2°121.7°
N3N4C15116.7°122.8°
N4N3H22115.9°119.2°
N3C14O120.2°120.7°
N3C14C13114.8°118.6°
C14N3H22115.9°119.2°
OC14C13124.9°120.7°
N4C15C12124.4°119.9°
N4C15H9117.8°120.1°
C14C13C12118.1°118.5°
C14C13C9122.2°122.9°
C3C4C5119.0°119.3°
C4C3C2120.0°118.3°
C4C3H1120.0°120.8°
C3C4H18120.5°120.4°
C4C5C6120.8°119.5°
C4C5N122.7°121.0°
C5C4H18120.5°120.3°
C3C2C9118.6°120.6°
C3C2C1117.6°118.9°
C2C3H1120.0°120.8°
C5C6N1114.1°109.5°
C6C5N116.4°119.5°
C5C6H19108.3°109.5°
C5C6H20108.3°109.5°
C6N1C7110.5°111.0°
C6N1C8111.1°111.0°
N1C6H19108.3°109.4°
N1C6H20108.3°109.5°
C15C12C13117.8°118.6°
C15C12C11124.2°122.5°
C12C15H9117.8°120.1°
C5NC1119.5°121.9°
C20C19C18119.0°120.3°
C19C20C21118.6°120.3°
C20C19H12120.5°119.8°
C19C20H13120.7°119.9°
C19C18F118.4°120.2°
C19C18C17123.9°119.7°
C18C19H12120.5°119.8°
C12C13C9119.7°118.6°
C13C12C11117.9°118.9°
C13C9C2124.2°120.8°
C13C9C10117.2°118.4°
FC18C17117.7°120.1°
C20C21O1126.3°129.9°
C20C21C22122.4°118.9°
C21C20H13120.7°119.8°
C12C11N5121.0°120.0°
C12C11N2121.1°120.0°
C9C2C1123.8°120.5°
C2C9C10118.5°120.8°
C2C1N121.1°120.5°
C2C1C123.4°119.8°
C7N1C8109.9°111.0°
N1C7H2109.5°109.5°
N1C7H3109.5°109.4°
N1C7H4109.5°109.4°
C18C17C22116.9°120.0°
C18C17C16123.0°120.0°
C9C10N2124.7°121.4°
C9C10H8117.7°119.3°
NC1C115.5°119.7°
N1C8H5109.5°109.5°
N1C8H6109.5°109.5°
N1C8H7109.5°109.5°
C1CH23109.5°109.5°
C1CH24109.5°109.5°
C1CH25109.4°109.4°
O1C21C22111.3°111.2°
C21O1C24108.7°109.3°
C21C22C17119.0°120.8°
C21C22C23110.1°107.1°
N5C11N2118.0°119.9°
C11N5C16123.3°120.1°
C11N5H16105.9°120.0°
C11N2C10119.3°122.7°
N2C10H8117.6°119.3°
N5C16C17111.1°109.5°
N5C16H10109.1°109.4°
N5C16H11109.1°109.4°
C16N5H16105.9°120.0°
C22C17C16120.0°120.0°
C17C22C23130.8°132.2°
C17C16H10109.1°109.5°
C17C16H11109.1°109.5°
O1C24C23107.8°102.8°
O1C24H14109.9°110.7°
O1C24H15109.9°111.0°
C22C23C24101.9°101.9°
C22C23H17111.4°110.9°
C22C23H21111.3°110.9°
C23C24H14109.9°110.7°
C23C24H15109.9°110.7°
C24C23H17111.3°110.9°
C24C23H21111.4°110.9°
H2C7H3109.5°109.5°
H2C7H4109.5°109.5°
H3C7H4109.5°109.5°
H5C8H6109.5°109.4°
H5C8H7109.5°109.5°
H6C8H7109.5°109.5°
H10C16H11109.4°109.4°
H19C6H20109.5°109.5°
H14C24H15109.5°110.7°
H17C23H21109.4°110.9°
H23CH24109.5°109.5°
H23CH25109.4°109.5°
H24CH25109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N4N3C14H22180.0°180.0°
N4N3C14O175.6°179.9°
N4N3C14C132.2°0.0°
N3N4C15C121.0°0.1°
N3N4C15H9179.0°180.0°
N3C14OC13177.5°179.9°
C14N3N4C150.9°0.0°
N3C14C13C121.7°0.1°
N3C14C13C9176.7°179.9°
OC14C13C12175.9°180.0°
OC14C13C95.7°0.1°
OC14N3H224.4°0.0°
N4C15C12H9180.0°179.9°
N4C15C12C131.2°0.0°
N4C15C12C11178.9°179.9°
C15N4N3H22179.1°180.0°
C14C13C12C150.3°0.0°
C14C13C12C9178.5°180.0°
C14C13C12C11179.6°180.0°
C14C13C9C20.9°0.0°
C14C13C9C10180.0°179.8°
C13C14N3H22177.8°179.9°
C3C4C5H18180.0°180.0°
C4C3C2H1180.0°179.9°
C3C4C5C6177.3°180.0°
C3C4C5N0.4°0.3°
C4C3C2C9179.9°180.0°
C4C3C2C10.7°0.0°
C5C4C3C20.6°0.0°
C4C5C6N177.8°179.7°
C4C5C6N1112.1°95.0°
C4C5NC10.4°0.6°
C5C4C3H1179.4°180.0°
C4C5C6H19127.2°145.0°
C4C5C6H208.6°25.0°
C3C2C9C13105.5°115.2°
C3C2C9C1179.1°180.0°
C3C2C9C1073.7°65.0°
C3C2C1N0.8°0.3°
C3C2C1C179.9°180.0°
C2C3C4H18179.5°180.0°
C5C6N1H19120.7°120.0°
C5C6N1H20120.7°120.0°
C5C6N1C7164.2°170.0°
C6C5NC1177.4°179.7°
C5C6N1C873.5°66.0°
C6C5C4H182.7°0.0°
C5C6H19H20117.9°120.0°
N1C6C5N70.1°84.7°
C6N1C7C8123.0°123.9°
C6N1C7H2180.0°60.0°
C6N1C7H360.0°180.0°
C6N1C7H460.0°60.0°
C6N1C8H5180.0°63.9°
C6N1C8H660.0°56.0°
C6N1C8H760.0°176.0°
N1C6H19H20117.9°120.0°
C15C12C13C11179.9°179.9°
C15C12C13C9178.2°180.0°
C15C12C11N50.1°0.0°
C15C12C11N2179.3°179.7°
C5NC1C20.6°0.6°
C5NC1C179.8°179.7°
NC5C4H18179.6°179.8°
NC5C6H1950.6°35.2°
NC5C6H20169.3°155.2°
C20C19C18H12180.0°179.8°
C20C19C18F177.3°179.9°
C19C20C21H13180.0°179.9°
C20C19C18C171.4°0.1°
C19C20C21O1178.5°179.4°
C19C20C21C220.5°0.2°
C19C18FC17178.8°179.9°
C18C19C20C210.6°0.0°
C19C18C17C220.9°0.1°
C19C18C17C16177.1°180.0°
C18C19C20H13179.4°179.9°
C12C13C9C2179.3°180.0°
C12C13C9C101.6°0.3°
C13C12C11N5179.9°180.0°
C13C12C11N20.6°0.2°
C13C12C15H9178.8°180.0°
C9C13C12C111.9°0.0°
C13C9C2C10179.1°179.8°
C13C9C2C173.6°64.7°
C13C9C10N21.4°0.2°
C13C9C10H8178.6°179.8°
FC18C17C22177.7°180.0°
FC18C17C164.2°0.0°
FC18C19H122.7°0.0°
C20C21O1C22178.2°179.7°
C20C21C22C170.9°0.4°
C20C21O1C24179.0°161.5°
C20C21C22C23177.4°179.4°
C21C20C19H12179.4°179.8°
C12C11N5N2179.3°179.8°
C12C11N2C103.5°0.2°
C12C11N5C16176.2°179.8°
C12C11N5H1654.3°0.2°
C11C12C15H91.1°0.0°
C9C2C1N179.9°179.7°
C9C2C1C1.0°0.0°
C2C9C10N2177.8°180.0°
C9C2C3H10.1°0.1°
C2C9C10H82.2°0.0°
C1C2C9C10107.2°115.0°
C2C1NC179.2°179.7°
C1C2C3H1179.3°180.0°
C2C1CH23179.2°90.0°
C2C1CH2459.2°150.0°
C2C1CH2560.8°30.0°
N1C7H2H3120.0°120.0°
N1C7H2H4120.0°120.0°
N1C7H3H4120.0°119.9°
C7N1C8H557.4°60.0°
C7N1C8H662.6°180.0°
C7N1C8H7177.4°60.0°
C7N1C6H1943.5°50.0°
C7N1C6H2075.1°70.0°
C18C17C22C210.2°0.3°
C18C17C16N566.6°90.0°
C18C17C22C16178.1°180.0°
C18C17C22C23177.6°179.4°
C18C17C16H1053.7°150.0°
C18C17C16H11173.2°30.0°
C17C18C19H12178.6°179.9°
C9C10N2C114.0°0.0°
C9C10N2H8180.0°180.0°
NC1CH230.0°90.3°
NC1CH24120.0°29.7°
NC1CH25120.0°149.7°
C8N1C7H257.1°64.0°
C8N1C7H3177.1°56.1°
C8N1C7H463.0°176.1°
N1C8H5H6120.0°120.0°
N1C8H5H7120.0°120.0°
N1C8H6H7120.0°120.0°
C8N1C6H19165.8°174.0°
C8N1C6H2047.2°54.0°
C1CH23H24120.0°120.0°
C1CH23H25120.0°120.0°
C1CH24H25120.0°119.9°
O1C21C22C17179.2°179.3°
O1C21C22C230.9°0.9°
C21O1C24C235.2°27.6°
O1C21C20H131.5°0.5°
C21O1C24H14114.5°90.6°
C21O1C24H15125.0°146.0°
C21C22C17C23177.8°179.7°
C21C22C17C16178.3°179.7°
C22C21O1C242.7°18.8°
C21C22C23C243.9°15.5°
C22C21C20H13179.5°179.9°
C21C22C23H17114.9°102.7°
C21C22C23H21122.7°133.6°
N5C11N2C10177.2°180.0°
C11N5C16H16121.9°180.0°
C11N5C16C1776.1°180.0°
C11N5C16H10163.6°59.9°
C11N5C16H1144.1°59.9°
N2C11N5C163.2°0.0°
N2C11N5H16125.1°180.0°
C11N2C10H8176.0°180.0°
N5C16C17C22115.4°90.0°
N5C16C17H10120.3°120.0°
N5C16C17H11120.2°120.0°
N5C16H10H11119.2°119.9°
C17C22C23C24178.1°164.2°
C22C17C16H10124.4°30.1°
C22C17C16H114.9°150.0°
C17C22C23H1763.1°77.6°
C17C22C23H2159.3°46.1°
C16C17C22C230.5°0.5°
C17C16H10H11119.3°120.0°
C17C16N5H1645.7°0.0°
O1C24C23C225.4°25.3°
O1C24C23H14119.7°118.3°
O1C24C23H15119.7°118.5°
O1C24H14H15120.8°123.5°
O1C24C23H17113.4°92.8°
O1C24C23H21124.2°143.4°
C22C23C24H17118.8°118.1°
C22C23C24H21118.8°118.1°
C22C23C24H14114.3°93.0°
C22C23C24H15125.1°143.8°
C22C23H17H21123.5°123.7°
C23C24H14H15120.8°123.2°
C24C23H17H21123.5°123.7°
H1C3C4H180.5°0.0°
H2C7H3H4120.0°120.0°
H5C8H6H7120.0°120.0°
H10C16N5H1674.5°120.1°
H11C16N5H16166.0°120.0°
H12C19C20H130.6°0.1°
H14C24C23H17126.9°148.9°
H14C24C23H214.4°25.2°
H15C24C23H176.4°25.7°
H15C24C23H21116.1°98.0°
H23CH24H25120.0°120.0°

246704

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