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7YY

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C18N17sing1.47Å1.51Å
N17N19sing1.40Å1.31ÅAromatic
N17C16sing1.34Å1.35ÅAromatic
N19C20doub1.32Å1.34ÅAromatic
C16C15doub1.38Å1.37ÅAromatic
C20C15sing1.47Å1.37ÅAromatic
C20C21sing1.41Å1.43ÅAromatic
C15C14sing1.41Å1.39ÅAromatic
C21C22doub1.36Å1.33ÅAromatic
C14C13doub1.36Å1.37ÅAromatic
C22C13sing1.40Å1.44ÅAromatic
C22CL2sing1.74Å1.80Å
C13N12sing1.40Å1.37Å
N12C11sing1.37Å1.34Å
N10C11doub1.32Å1.27Å
N10C08sing1.34Å1.38Å
C11N24sing1.37Å1.40Å
O09C08doub1.22Å1.16Å
C08N07sing1.35Å1.39Å
N24C25sing1.47Å1.36Å
N24C35sing1.35Å1.51Å
C25C26sing1.51Å1.50Å
C26C34doub1.38Å1.34ÅAromatic
C26C27sing1.38Å1.35ÅAromatic
C34C32sing1.38Å1.40ÅAromatic
F28C27sing1.35Å1.25Å
C27C29doub1.38Å1.42ÅAromatic
C32F33sing1.35Å1.19Å
C32C30doub1.39Å1.43ÅAromatic
N07C35sing1.35Å1.43Å
N07C06sing1.47Å1.47Å
C35O36doub1.22Å1.17Å
C29C30sing1.38Å1.39ÅAromatic
C30F31sing1.35Å1.18Å
N37C05doub1.31Å1.34ÅAromatic
N37N02sing1.40Å1.27ÅAromatic
C06C05sing1.51Å1.35Å
C01N02sing1.46Å1.52Å
C05N04sing1.33Å1.31ÅAromatic
N02C03sing1.35Å1.36ÅAromatic
N04C03doub1.31Å1.31ÅAromatic
C14H1sing1.08Å1.08Å
C01H2sing1.09Å1.10Å
C01H3sing1.09Å1.10Å
C01H4sing1.09Å1.10Å
C03H5sing1.08Å1.08Å
C06H6sing1.09Å1.10Å
C06H7sing1.09Å1.10Å
N12H8sing0.97Å1.00Å
C16H9sing1.08Å1.08Å
C18H10sing1.09Å1.10Å
C18H11sing1.09Å1.10Å
C18H12sing1.09Å1.10Å
C21H13sing1.08Å1.08Å
C25H14sing1.09Å1.10Å
C25H15sing1.09Å1.10Å
C29H16sing1.08Å1.08Å
C34H17sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C18N17N19125.3°125.0°
C18N17C16124.2°125.0°
N17C18H10109.5°109.5°
N17C18H11109.5°109.5°
N17C18H12109.4°109.4°
N19N17C16110.4°110.0°
N17N19C20106.5°108.9°
N17C16C15108.2°107.9°
N17C16H9125.9°126.1°
N19C20C15111.1°106.8°
N19C20C21131.4°134.5°
C16C15C20103.7°106.4°
C16C15C14135.7°134.7°
C15C16H9125.9°126.1°
C15C20C21117.5°118.6°
C20C15C14120.6°118.9°
C20C21C22120.1°119.7°
C20C21H13120.0°120.1°
C15C14C13123.8°119.5°
C15C14H1118.1°120.3°
C21C22C13123.9°121.8°
C21C22CL2118.2°119.1°
C22C21H13120.0°120.2°
C14C13C22114.1°121.5°
C14C13N12124.1°119.3°
C13C14H1118.1°120.2°
C13C22CL2117.9°119.1°
C22C13N12121.7°119.2°
C13N12C11123.4°120.0°
C13N12H8118.3°120.0°
N12C11N10117.6°119.9°
N12C11N24122.8°120.0°
C11N12H8118.3°119.9°
C11N10C08127.9°120.5°
N10C11N24119.5°120.0°
N10C08O09121.4°119.8°
N10C08N07118.7°120.5°
C11N24C25120.8°120.2°
C11N24C35116.8°119.6°
O09C08N07119.7°119.7°
C08N07C35117.4°119.9°
C08N07C06119.9°120.0°
C25N24C35122.2°120.2°
N24C25C26114.0°109.5°
N24C25H14108.3°109.4°
N24C25H15108.3°109.5°
N24C35N07119.2°119.5°
N24C35O36120.6°120.2°
C25C26C34122.1°120.0°
C25C26C27119.0°119.9°
C26C25H14108.4°109.4°
C26C25H15108.3°109.5°
C34C26C27119.0°120.1°
C26C34C32126.0°120.0°
C26C34H17117.0°120.0°
C26C27F28121.5°120.0°
C26C27C29119.2°120.0°
C34C32F33122.6°120.0°
C34C32C30115.5°120.0°
C32C34H17117.0°120.0°
F28C27C29119.2°120.0°
C27C29C30121.9°120.0°
C27C29H16119.0°120.0°
F33C32C30121.9°120.0°
C32C30C29118.3°119.9°
C32C30F31119.4°120.1°
C35N07C06122.6°120.0°
N07C35O36120.3°120.3°
N07C06C05118.1°109.5°
N07C06H6107.3°109.5°
N07C06H7107.3°109.5°
C29C30F31122.3°120.0°
C30C29H16119.1°120.0°
C05N37N02106.2°106.8°
N37C05C06124.3°125.5°
N37C05N04112.6°108.9°
N37N02C01125.8°126.9°
N37N02C03107.5°106.3°
C06C05N04123.0°125.5°
C05C06H6107.3°109.5°
C05C06H7107.3°109.5°
C01N02C03126.7°126.8°
N02C01H2109.5°109.4°
N02C01H3109.5°109.5°
N02C01H4109.5°109.5°
C05N04C03102.9°109.9°
N02C03N04110.7°108.0°
N02C03H5124.6°126.0°
N04C03H5124.7°126.0°
H2C01H3109.5°109.4°
H2C01H4109.5°109.5°
H3C01H4109.4°109.5°
H6C06H7109.5°109.5°
H10C18H11109.5°109.5°
H10C18H12109.5°109.5°
H11C18H12109.5°109.5°
H14C25H15109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C18N17N19C16176.7°179.9°
C18N17N19C20179.7°180.0°
C18N17C16C15178.7°180.0°
C18N17C16H91.3°0.0°
N17C18H10H11120.0°120.0°
N17C18H10H12120.0°119.9°
N17C18H11H12120.0°119.9°
N19N17C16C151.9°0.0°
N17N19C20C153.0°0.0°
N17N19C20C21178.8°180.0°
N19N17C16H9178.1°179.9°
N19N17C18H100.0°89.9°
N19N17C18H11120.0°150.0°
N19N17C18H12120.0°30.0°
C16N17N19C203.0°0.0°
N17C16C15H9180.0°179.9°
N17C16C15C200.1°0.0°
N17C16C15C14179.6°180.0°
C16N17C18H10176.3°90.0°
C16N17C18H1163.7°30.1°
C16N17C18H1256.3°150.0°
N19C20C15C161.8°0.0°
N19C20C15C21176.4°180.0°
N19C20C15C14177.8°180.0°
N19C20C21C22177.0°179.7°
N19C20C21H132.9°0.1°
C16C15C20C14179.6°180.0°
C16C15C20C21178.2°180.0°
C16C15C14C13180.0°180.0°
C16C15C14H10.0°0.0°
C15C20C21C221.5°0.3°
C20C15C14C130.5°0.0°
C20C15C14H1179.5°180.0°
C20C15C16H9180.0°179.9°
C15C20C21H13178.5°180.0°
C21C20C15C141.4°0.0°
C20C21C22H13180.0°179.8°
C20C21C22C130.3°0.6°
C20C21C22CL2179.2°180.0°
C15C14C13H1180.0°180.0°
C15C14C13C222.2°0.3°
C15C14C13N12179.2°180.0°
C14C15C16H90.4°0.0°
C21C22C13C142.1°0.6°
C21C22C13CL2178.9°179.4°
C21C22C13N12179.2°179.7°
C14C13C22N12177.1°179.7°
C14C13C22CL2179.0°180.0°
C14C13N12C11107.5°35.3°
C14C13N12H872.5°144.7°
C22C13N12C1169.3°144.4°
C22C13C14H1177.8°179.7°
C22C13N12H8110.7°35.6°
C13C22C21H13179.7°179.7°
CL2C22C13N121.9°0.3°
CL2C22C21H130.8°0.3°
C13N12C11H8180.0°180.0°
C13N12C11N100.2°8.1°
C13N12C11N24177.4°172.1°
N12C13C14H10.8°0.0°
N12C11N10N24177.3°179.8°
N12C11N10C08178.6°179.8°
N12C11N24C253.5°0.2°
N12C11N24C35178.4°179.7°
C11N10C08O09179.4°180.0°
C11N10C08N074.7°0.0°
N10C11N24C25179.3°180.0°
N10C11N24C354.5°0.1°
N10C11N12H8179.8°171.8°
C08N10C11N241.3°0.0°
N10C08O09N07174.6°180.0°
N10C08N07C356.8°0.0°
N10C08N07C06176.2°180.0°
C11N24C25C35174.6°179.9°
C11N24C25C2692.4°81.3°
C11N24C35N072.0°0.1°
C11N24C35O36179.1°180.0°
N24C11N12H82.6°7.9°
C11N24C25H14146.9°38.6°
C11N24C25H1528.2°158.6°
O09C08N07C35178.5°180.0°
O09C08N07C061.4°0.0°
C08N07C35N243.6°0.1°
C08N07C35C06176.9°179.9°
C08N07C35O36175.3°180.0°
C08N07C06C05104.7°90.0°
C08N07C06H6134.1°150.0°
C08N07C06H716.5°30.0°
N24C25C26H14120.7°119.9°
N24C25C26H15120.7°120.1°
N24C25C26C3410.0°104.2°
N24C25C26C27171.4°75.4°
C25N24C35N07176.8°180.0°
C25N24C35O364.3°0.1°
N24C25H14H15117.9°120.0°
C35N24C25C2682.1°98.8°
N24C35N07O36179.0°179.9°
N24C35N07C06179.5°180.0°
C35N24C25H1438.5°141.3°
C35N24C25H15157.2°21.3°
C25C26C34C27178.6°179.6°
C25C26C34C32177.3°179.8°
C25C26C27F281.2°0.1°
C25C26C27C29178.9°180.0°
C26C25H14H15118.0°120.0°
C25C26C34H172.7°0.0°
C26C34C32H17180.0°179.8°
C34C26C27F28179.9°179.8°
C34C26C27C292.5°0.3°
C26C34C32F33178.8°179.7°
C26C34C32C304.5°0.5°
C34C26C25H14130.7°15.7°
C34C26C25H15110.6°135.7°
C27C26C34C324.1°0.5°
C26C27F28C29177.7°179.9°
C26C27C29C301.9°0.0°
C27C26C25H1450.7°164.7°
C27C26C25H1568.0°44.7°
C26C27C29H16178.1°179.9°
C27C26C34H17175.9°179.6°
C34C32F33C30176.4°179.8°
C34C32C30C293.5°0.2°
C34C32C30F31177.5°179.7°
F28C27C29C30179.6°180.0°
F28C27C29H160.4°0.0°
C27C29C30C322.5°0.0°
C27C29C30H16180.0°180.0°
C27C29C30F31178.6°179.9°
F33C32C30C29179.8°180.0°
F33C32C30F310.9°0.1°
F33C32C34H171.2°0.1°
C32C30C29F31178.9°179.9°
C32C30C29H16177.5°180.0°
C30C32C34H17175.4°179.7°
C35N07C06C0572.2°90.0°
C35N07C06H649.1°30.0°
C35N07C06H7166.6°150.0°
C06N07C35O361.6°0.1°
N07C06C05N3717.9°89.7°
N07C06C05H6121.2°120.0°
N07C06C05H7121.2°120.0°
N07C06C05N04157.0°90.0°
N07C06H6H7116.1°120.0°
F31C30C29H161.4°0.1°
N37C05C06N04174.9°179.7°
C05N37N02C01179.0°179.9°
C05N37N02C032.9°0.3°
N37C05N04C030.8°0.3°
N37C05C06H6139.2°30.2°
N37C05C06H7103.3°150.2°
N02N37C05C06177.8°179.9°
N37N02C01C03177.8°179.7°
N02N37C05N042.4°0.4°
N37N02C03N042.6°0.2°
N37N02C01H20.0°90.3°
N37N02C01H3120.0°29.6°
N37N02C01H4120.0°149.7°
N37N02C03H5177.4°179.8°
C06C05N04C03176.2°180.0°
C05C06H6H7116.1°120.0°
C01N02C03N04179.3°179.9°
N02C01H2H3120.0°119.9°
N02C01H2H4120.0°120.1°
N02C01H3H4120.0°120.1°
C01N02C03H50.7°0.1°
C05N04C03N021.1°0.0°
C05N04C03H5178.9°180.0°
N04C05C06H635.8°150.0°
N04C05C06H781.8°30.0°
N02C03N04H5180.0°180.0°
C03N02C01H2177.7°90.0°
C03N02C01H357.7°150.0°
C03N02C01H462.2°30.0°
H2C01H3H4120.0°120.0°
H10C18H11H12120.0°120.1°

232829

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