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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C10N09sing1.46Å1.46Å
C10C11sing1.51Å1.54Å
N09C08sing1.38Å1.46Å
N06C05doub1.31Å1.32ÅAromatic
N06N07sing1.40Å1.40ÅAromatic
C11C12doub1.38Å1.38ÅAromatic
C11C16sing1.38Å1.39ÅAromatic
C08N07sing1.37Å1.36ÅAromatic
C08C17doub1.36Å1.39ÅAromatic
C05C04sing1.39Å1.39ÅAromatic
N07C27sing1.37Å1.30ÅAromatic
C12C13sing1.38Å1.39ÅAromatic
C16C15doub1.38Å1.38ÅAromatic
C17C18sing1.40Å1.39ÅAromatic
C04C27doub1.39Å1.43ÅAromatic
C04C02sing1.51Å1.52Å
C13C14doub1.38Å1.38ÅAromatic
C27N26sing1.34Å1.35ÅAromatic
C15C14sing1.38Å1.38ÅAromatic
C18N26doub1.32Å1.33ÅAromatic
C18N19sing1.39Å1.45Å
C01C02sing1.53Å1.52Å
C03C02sing1.53Å1.53Å
N19C20sing1.46Å1.48Å
C20C21sing1.53Å1.48Å
C20C25sing1.53Å1.54Å
C21C22sing1.53Å1.48Å
C25N24sing1.47Å1.48Å
C22C23sing1.53Å1.53Å
N24C23sing1.47Å1.48Å
C10H1sing1.09Å1.10Å
C10H2sing1.09Å1.10Å
C13H3sing1.08Å1.08Å
C15H4sing1.08Å1.08Å
C17H5sing1.08Å1.08Å
C20H6sing1.09Å1.10Å
C21H7sing1.09Å1.10Å
C21H8sing1.09Å1.10Å
C22H9sing1.09Å1.10Å
C22H10sing1.09Å1.10Å
C01H11sing1.09Å1.10Å
C01H12sing1.09Å1.10Å
C01H13sing1.09Å1.10Å
C02H14sing1.09Å1.10Å
C03H15sing1.09Å1.10Å
C03H16sing1.09Å1.10Å
C03H17sing1.09Å1.10Å
C05H18sing1.08Å1.08Å
C12H19sing1.08Å1.08Å
C14H20sing1.08Å1.08Å
C16H21sing1.08Å1.08Å
C23H22sing1.09Å1.10Å
C23H23sing1.09Å1.10Å
C25H24sing1.09Å1.10Å
C25H25sing1.09Å1.10Å
N09H26sing0.97Å1.00Å
N19H27sing0.97Å1.00Å
N24H28sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N09C10C11114.2°109.5°
C10N09C08122.7°120.0°
N09C10H1108.3°109.5°
N09C10H2108.3°109.5°
C10N09H26106.0°120.0°
C10C11C12119.3°120.0°
C10C11C16121.1°120.0°
C11C10H1108.3°109.5°
C11C10H2108.2°109.5°
N09C08N07121.0°120.5°
N09C08C17120.5°120.5°
C08N09H26106.1°120.0°
C05N06N07108.8°108.9°
N06C05C04107.9°108.9°
N06C05H18126.1°125.5°
N06N07C08129.9°132.4°
N06N07C27109.0°107.7°
C12C11C16119.6°120.0°
C11C12C13120.3°120.0°
C11C12H19119.8°120.0°
C11C16C15120.1°120.0°
C11C16H21119.9°120.0°
N07C08C17118.6°119.0°
C08N07C27121.1°119.9°
C08C17C18118.5°119.4°
C08C17H5120.7°120.3°
C05C04C27106.6°107.6°
C05C04C02126.9°126.2°
C04C05H18126.1°125.6°
N07C27C04107.7°106.9°
N07C27N26121.9°120.7°
C12C13C14119.9°120.0°
C12C13H3120.0°120.0°
C13C12H19119.9°120.0°
C16C15C14120.1°120.0°
C16C15H4119.9°120.0°
C15C16H21120.0°120.0°
C17C18N26120.2°120.2°
C17C18N19118.7°119.9°
C18C17H5120.7°120.3°
C27C04C02126.5°126.2°
C04C27N26130.4°132.4°
C04C02C01110.8°109.5°
C04C02C03111.3°109.5°
C04C02H14108.0°109.5°
C13C14C15119.9°120.0°
C14C13H3120.1°120.0°
C13C14H20120.0°120.0°
C27N26C18119.7°120.9°
C14C15H4120.0°120.0°
C15C14H20120.0°120.0°
N26C18N19121.1°119.9°
C18N19C20120.9°120.0°
C18N19H27106.5°120.0°
C01C02C03110.7°109.5°
C02C01H11109.5°109.5°
C02C01H12109.5°109.5°
C02C01H13109.5°109.5°
C01C02H14108.0°109.5°
C03C02H14107.9°109.4°
C02C03H15109.5°109.4°
C02C03H16109.5°109.5°
C02C03H17109.5°109.5°
N19C20C21107.8°109.5°
N19C20C25108.3°109.5°
N19C20H6109.7°109.5°
C20N19H27106.6°120.0°
C21C20C25112.3°109.3°
C20C21C22111.9°109.2°
C21C20H6109.8°109.5°
C20C21H7108.9°109.5°
C20C21H8108.8°109.5°
C20C25N24112.4°109.5°
C25C20H6108.9°109.5°
C20C25H24108.8°109.4°
C20C25H25108.7°109.4°
C21C22C23111.3°109.3°
C22C21H7108.9°109.5°
C22C21H8108.9°109.5°
C21C22H9109.0°109.5°
C21C22H10109.0°109.5°
C25N24C23112.2°111.2°
N24C25H24108.7°109.5°
N24C25H25108.8°109.5°
C25N24H28108.8°111.0°
C22C23N24111.9°109.5°
C23C22H9109.0°109.5°
C23C22H10109.0°109.5°
C22C23H22108.9°109.5°
C22C23H23108.8°109.4°
N24C23H22108.8°109.5°
N24C23H23108.9°109.4°
C23N24H28108.8°111.0°
H1C10H2109.5°109.5°
H7C21H8109.5°109.6°
H9C22H10109.5°109.5°
H11C01H12109.5°109.4°
H11C01H13109.5°109.4°
H12C01H13109.4°109.5°
H15C03H16109.5°109.5°
H15C03H17109.4°109.5°
H16C03H17109.5°109.5°
H22C23H23109.4°109.5°
H24C25H25109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N09C10C11H1120.7°120.0°
N09C10C11H2120.7°120.0°
C10N09C08H26121.8°179.9°
N09C10C11C12149.4°90.0°
N09C10C11C1630.1°90.5°
C10N09C08N07160.5°180.0°
C10N09C08C1719.3°0.0°
N09C10H1H2117.8°120.0°
C11C10N09C0849.1°180.0°
C10C11C12C16179.5°179.5°
C10C11C12C13179.7°180.0°
C10C11C16C15179.6°179.7°
C11C10H1H2117.8°120.0°
C10C11C12H190.3°0.0°
C10C11C16H210.4°0.0°
C11C10N09H2672.7°0.0°
N09C08N07N060.4°0.1°
N09C08N07C17179.8°180.0°
N09C08N07C27179.7°180.0°
N09C08C17C18179.6°180.0°
C08N09C10H171.6°60.0°
C08N09C10H2169.8°59.9°
N09C08C17H50.5°0.3°
C05N06N07C08179.8°180.0°
N06C05C04H18180.0°179.6°
C05N06N07C270.1°0.0°
N06C05C04C270.3°0.4°
N06C05C04C02179.8°179.5°
N06N07C08C27179.9°180.0°
N06N07C08C17179.8°180.0°
N07N06C05C040.3°0.2°
N06N07C27C040.0°0.2°
N06N07C27N26180.0°179.7°
N07N06C05H18179.7°179.8°
C11C12C13H19180.0°180.0°
C12C11C16C150.0°0.8°
C11C12C13C140.1°0.0°
C12C11C10H128.7°150.0°
C12C11C10H289.9°30.0°
C11C12C13H3179.9°179.8°
C12C11C16H21180.0°179.5°
C16C11C12C130.2°0.5°
C11C16C15H21180.0°179.7°
C11C16C15C140.2°0.6°
C16C11C10H1150.8°29.5°
C16C11C10H290.6°149.5°
C11C16C15H4179.8°179.4°
C16C11C12H19179.8°179.4°
N07C08C17C180.3°0.0°
C08N07C27C04180.0°179.8°
C08N07C27N260.0°0.3°
N07C08C17H5179.7°179.7°
N07C08N09H2638.7°0.0°
C17C08N07C270.1°0.0°
C08C17C18H5180.0°179.7°
C08C17C18N260.3°0.3°
C08C17C18N19180.0°179.7°
C17C08N09H26141.1°180.0°
C05C04C27N070.2°0.3°
C05C04C27C02179.5°179.8°
C05C04C27N26179.8°179.8°
C05C04C02C0198.1°59.8°
C05C04C02C0325.6°60.2°
C05C04C02H14143.8°179.8°
N07C27C04N26180.0°179.5°
N07C27C04C02179.7°179.5°
N07C27N26C180.0°0.6°
C12C13C14H3180.0°179.8°
C12C13C14C150.1°0.2°
C12C13C14H20180.0°179.8°
C16C15C14C130.2°0.0°
C16C15C14H4180.0°180.0°
C16C15C14H20179.8°179.9°
C17C18N26C270.2°0.6°
C17C18N26N19179.7°180.0°
C17C18N19C20169.8°180.0°
C17C18N19H2768.6°0.0°
C04C27N26C18180.0°180.0°
C27C04C02C0181.3°120.0°
C27C04C02C03155.0°120.0°
C27C04C02H1436.7°0.0°
C27C04C05H18179.7°180.0°
C02C04C27N260.3°0.0°
C04C02C01C03124.1°120.0°
C04C02C01H14118.1°120.0°
C04C02C03H14118.3°120.0°
C04C02C01H11180.0°180.0°
C04C02C01H1260.0°60.0°
C04C02C01H1360.0°60.0°
C04C02C03H15180.0°60.0°
C04C02C03H1660.0°59.9°
C04C02C03H1760.0°180.0°
C02C04C05H180.2°0.1°
C13C14C15H20180.0°180.0°
C13C14C15H4179.8°180.0°
C14C13C12H19179.9°180.0°
C27N26C18N19179.9°179.4°
C15C14C13H3179.9°180.0°
C14C15C16H21179.8°179.7°
N26C18N19C2010.5°0.0°
N26C18C17H5179.7°179.9°
N26C18N19H27111.1°180.0°
C18N19C20H27121.6°180.0°
C18N19C20C21148.8°155.0°
C18N19C20C2589.5°85.2°
N19C18C17H50.0°0.0°
C18N19C20H629.3°34.9°
C01C02C03H14117.9°120.0°
C02C01H11H12120.0°120.0°
C02C01H11H13120.0°120.0°
C02C01H12H13120.0°120.0°
C01C02C03H1556.2°60.0°
C01C02C03H16176.2°180.0°
C01C02C03H1763.7°60.0°
C03C02C01H1156.0°60.0°
C03C02C01H1264.1°180.0°
C03C02C01H13176.0°60.0°
C02C03H15H16120.0°120.0°
C02C03H15H17120.0°120.0°
C02C03H16H17120.0°120.0°
N19C20C21C25119.2°120.0°
N19C20C21H6119.4°120.1°
N19C20C25H6119.3°120.1°
N19C20C21C22172.2°177.6°
N19C20C25N24170.3°179.2°
N19C20C21H767.4°62.5°
N19C20C21H851.9°57.7°
N19C20C25H2449.9°59.1°
N19C20C25H2569.2°60.8°
C21C20C25H6121.8°119.9°
C20C21C22H7120.4°119.9°
C20C21C22H8120.3°119.9°
C21C20C25N2451.4°59.2°
C20C21C22C2354.6°57.6°
C20C21H7H8118.9°120.1°
C20C21C22H965.6°62.3°
C20C21C22H10174.9°177.7°
C21C20C25H2469.1°60.8°
C21C20C25H25171.9°179.2°
C21C20N19H2727.2°25.0°
C25C20C21C2253.0°57.6°
C20C25N24H24120.5°120.0°
C20C25N24H25120.5°120.0°
C20C25N24C2351.5°61.7°
C25C20C21H7173.3°177.5°
C25C20C21H867.4°62.3°
C20C25H24H25118.6°119.9°
C25C20N19H27148.9°94.8°
C20C25N24H28172.0°174.2°
C21C22C23H9120.3°120.0°
C21C22C23H10120.3°120.0°
C21C22C23N2454.9°59.2°
C22C21C20H668.4°62.3°
C22C21H7H8118.9°120.2°
C21C22H9H10119.2°120.1°
C21C22C23H22175.3°179.2°
C21C22C23H2365.4°60.8°
C25N24C23C2253.5°61.7°
C25N24C23H28120.4°124.1°
N24C25C20H670.4°60.7°
C25N24C23H22173.9°178.2°
C25N24C23H2366.8°58.3°
N24C25H24H25118.7°120.0°
C22C23N24H22120.4°120.1°
C22C23N24H23120.4°120.0°
C23C22C21H7175.0°177.5°
C23C22C21H865.7°62.3°
C23C22H9H10119.2°120.1°
C22C23H22H23118.8°120.0°
C22C23N24H28174.0°174.2°
N24C23C22H965.3°60.8°
N24C23C22H10175.2°179.2°
N24C23H22H23118.9°119.9°
C23N24C25H2468.9°58.2°
C23N24C25H25172.0°178.3°
H1C10N09H26166.6°120.0°
H2C10N09H2648.0°120.0°
H3C13C12H190.1°0.3°
H3C13C14H200.0°0.0°
H4C15C14H200.2°0.1°
H4C15C16H210.2°0.3°
H6C20C21H752.0°57.6°
H6C20C21H8171.3°177.8°
H6C20C25H24169.1°179.2°
H6C20C25H2550.0°59.3°
H6C20N19H2792.3°145.1°
H7C21C22H954.7°57.6°
H7C21C22H1064.7°62.5°
H8C21C22H9174.0°177.8°
H8C21C22H1054.6°57.8°
H9C22C23H2255.1°59.3°
H9C22C23H23174.3°179.2°
H10C22C23H2264.4°60.8°
H10C22C23H2354.9°59.2°
H11C01H12H13120.0°119.9°
H11C01C02H1461.9°60.0°
H12C01C02H14178.0°60.0°
H13C01C02H1458.1°180.0°
H14C02C03H1561.7°180.0°
H14C02C03H1658.3°60.0°
H14C02C03H17178.3°60.0°
H15C03H16H17120.0°120.0°
H22C23N24H2865.6°54.1°
H23C23N24H2853.6°65.8°
H24C25N24H2851.5°65.8°
H25C25N24H2867.6°54.2°

224931

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