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K4E

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C13C14sing1.53Å1.56Å
C13C10sing1.53Å1.57Å
C14C15sing1.53Å1.55Å
O3C16doub1.22Å1.19Å
O2C9doub1.21Å1.20Å
C8C9sing1.51Å1.49Å
C8N1sing1.47Å1.46Å
C9N2sing1.35Å1.31Å
N1C1sing1.40Å1.39Å
C7O1sing1.43Å1.46Å
C10N2sing1.46Å1.45Å
C10C11sing1.53Å1.57Å
O1C6sing1.36Å1.42Å
C16N4sing1.35Å1.32Å
C16N3sing1.35Å1.35Å
N4C17sing1.39Å1.35Å
C15N3sing1.46Å1.49Å
C15C12sing1.53Å1.51Å
N3C18sing1.39Å1.36Å
C1C6doub1.39Å1.47ÅAromatic
C1C2sing1.39Å1.43ÅAromatic
C17C18doub1.40Å1.42ÅAromatic
C17C22sing1.39Å1.43ÅAromatic
C6C5sing1.39Å1.45ÅAromatic
C18C19sing1.39Å1.44ÅAromatic
C11C12sing1.53Å1.52Å
C22C21doub1.38Å1.45ÅAromatic
C19C20doub1.38Å1.45ÅAromatic
C2C3doub1.38Å1.44ÅAromatic
C21C20sing1.38Å1.45ÅAromatic
C5C4doub1.38Å1.43ÅAromatic
C3C4sing1.38Å1.44ÅAromatic
C3CL1sing1.74Å1.77Å
N1H1sing0.97Å1.00Å
C2H2sing1.08Å1.08Å
C4H3sing1.08Å1.08Å
C5H4sing1.08Å1.08Å
C7H5sing1.09Å1.10Å
C7H6sing1.09Å1.10Å
C7H7sing1.09Å1.10Å
C8H8sing1.09Å1.10Å
C8H9sing1.09Å1.10Å
N2H10sing0.97Å1.00Å
C10H11sing1.09Å1.10Å
C11H12sing1.09Å1.10Å
C11H13sing1.09Å1.10Å
C12H14sing1.09Å1.10Å
C12H15sing1.09Å1.10Å
C13H16sing1.09Å1.10Å
C13H17sing1.09Å1.10Å
C14H18sing1.09Å1.10Å
C14H19sing1.09Å1.10Å
C15H20sing1.09Å1.10Å
N4H21sing0.97Å1.00Å
C19H22sing1.08Å1.08Å
C20H23sing1.08Å1.08Å
C21H24sing1.08Å1.08Å
C22H25sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C14C13C10114.3°109.5°
C13C14C15113.0°109.5°
C14C13H16108.2°109.5°
C14C13H17108.3°109.5°
C13C14H18108.6°109.5°
C13C14H19108.6°109.5°
C13C10N2108.6°109.5°
C13C10C11111.0°109.4°
C13C10H11109.0°109.5°
C10C13H16108.3°109.5°
C10C13H17108.3°109.4°
C14C15N3109.6°109.5°
C14C15C12114.7°109.5°
C15C14H18108.6°109.5°
C15C14H19108.6°109.5°
C14C15H20107.0°109.4°
O3C16N4120.6°125.2°
O3C16N3126.2°125.1°
O2C9C8120.4°120.0°
O2C9N2123.0°119.9°
C9C8N1111.4°109.5°
C8C9N2116.6°120.0°
C9C8H8109.0°109.5°
C9C8H9109.0°109.4°
C8N1C1120.9°120.0°
C8N1H1106.5°119.9°
N1C8H8109.0°109.5°
N1C8H9109.0°109.4°
C9N2C10121.9°120.0°
C9N2H10119.0°120.0°
N1C1C6119.3°120.0°
N1C1C2120.3°120.1°
C1N1H1106.5°120.1°
C7O1C6116.0°117.0°
O1C7H5109.5°109.4°
O1C7H6109.5°109.5°
O1C7H7109.5°109.4°
N2C10C11108.6°109.5°
C10N2H10119.1°120.0°
N2C10H11110.6°109.5°
C10C11C12114.1°109.5°
C11C10H11109.1°109.4°
C10C11H12108.3°109.4°
C10C11H13108.3°109.4°
O1C6C1116.5°120.1°
O1C6C5120.4°120.1°
N4C16N3113.3°109.7°
C16N4C17105.5°108.4°
C16N4H21127.2°125.8°
C16N3C15132.7°125.8°
C16N3C18106.2°108.4°
N4C17C18108.8°106.8°
N4C17C22128.7°133.4°
C17N4H21127.2°125.8°
N3C15C12110.3°109.5°
C15N3C18121.0°125.8°
N3C15H20107.6°109.5°
C15C12C11112.0°109.5°
C15C12H14108.8°109.5°
C15C12H15108.8°109.4°
C12C15H20107.3°109.5°
N3C18C17106.2°106.8°
N3C18C19131.0°133.3°
C6C1C2120.3°119.9°
C1C6C5123.1°119.8°
C1C2C3115.4°119.9°
C1C2H2122.3°120.0°
C18C17C22122.6°119.9°
C17C18C19122.7°119.8°
C17C22C21115.4°119.9°
C17C22H25122.3°120.0°
C6C5C4115.8°120.0°
C6C5H4122.1°120.0°
C18C19C20116.3°119.9°
C18C19H22121.8°120.1°
C12C11H12108.3°109.5°
C12C11H13108.3°109.5°
C11C12H14108.8°109.5°
C11C12H15108.8°109.4°
C22C21C20122.8°120.2°
C22C21H24118.6°119.9°
C21C22H25122.3°120.1°
C19C20C21120.2°120.3°
C20C19H22121.9°120.1°
C19C20H23119.9°119.9°
C2C3C4124.9°120.2°
C2C3CL1124.5°119.9°
C3C2H2122.3°120.0°
C21C20H23119.9°119.8°
C20C21H24118.6°119.9°
C5C4C3120.4°120.2°
C5C4H3119.8°119.9°
C4C5H4122.1°120.0°
C4C3CL1110.6°120.0°
C3C4H3119.8°119.9°
H5C7H6109.5°109.6°
H5C7H7109.4°109.5°
H6C7H7109.5°109.4°
H8C8H9109.5°109.5°
H12C11H13109.5°109.4°
H14C12H15109.5°109.5°
H16C13H17109.5°109.5°
H18C14H19109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C14C13C10H16120.7°120.0°
C14C13C10H17120.7°120.0°
C13C14C15H18120.5°120.0°
C13C14C15H19120.5°120.0°
C14C13C10N2165.5°180.0°
C14C13C10C1146.3°60.0°
C13C14C15N3172.3°180.0°
C13C14C15C1247.6°60.0°
C14C13C10H1173.9°59.9°
C14C13H16H17117.8°120.0°
C13C14H18H19118.4°120.0°
C13C14C15H2071.3°60.0°
C10C13C14C1544.9°60.0°
C13C10N2C9123.3°85.0°
C13C10N2C11120.7°120.0°
C13C10N2H11119.6°120.0°
C13C10C11H11120.1°119.9°
C13C10C11C1251.2°60.0°
C13C10N2H1056.7°95.0°
C13C10C11H12171.9°180.0°
C13C10C11H1369.5°60.1°
C10C13H16H17117.8°119.9°
C10C13C14H18165.4°180.0°
C10C13C14H1975.6°60.0°
C14C15N3C1654.8°60.3°
C14C15N3C12127.2°120.0°
C14C15N3H20116.0°120.0°
C14C15C12H20118.7°119.9°
C14C15N3C18122.8°120.0°
C14C15C12C1152.1°60.0°
C14C15C12H14172.4°60.1°
C14C15C12H1568.3°180.0°
C15C14C13H16165.6°60.0°
C15C14C13H1775.8°180.0°
C15C14H18H19118.4°120.0°
O3C16N4N3179.4°180.0°
O3C16N4C17177.6°180.0°
O3C16N3C150.6°0.0°
O3C16N3C18178.4°179.8°
O3C16N4H212.4°0.1°
O2C9C8N2179.6°180.0°
O2C9C8N1175.7°0.1°
O2C9N2C109.3°0.0°
O2C9C8H864.0°120.0°
O2C9C8H955.4°120.0°
O2C9N2H10170.7°180.0°
C9C8N1H8120.3°120.0°
C9C8N1H9120.3°120.0°
C9C8N1C176.7°180.0°
C8C9N2C10170.3°180.0°
C9C8N1H1161.7°0.2°
C9C8H8H9119.1°120.0°
C8C9N2H109.7°0.0°
N1C8C9N23.9°180.0°
C8N1C1H1121.6°179.8°
C8N1C1C6148.3°179.7°
C8N1C1C229.8°0.5°
N1C8H8H9119.1°120.0°
C9N2C10H10180.0°179.9°
C9N2C10C11116.0°155.0°
N2C9C8H8116.4°60.0°
N2C9C8H9124.2°60.0°
C9N2C10H113.7°35.0°
N1C1C6O11.1°0.0°
N1C1C6C2178.2°179.8°
N1C1C6C5178.1°179.7°
N1C1C2C3178.0°180.0°
N1C1C2H22.0°0.0°
C1N1C8H843.6°59.9°
C1N1C8H9163.0°60.1°
C7O1C6C1118.3°180.0°
C7O1C6C560.9°0.3°
O1C7H5H6120.0°120.0°
O1C7H5H7120.0°119.9°
O1C7H6H7120.0°120.0°
N2C10C11H11120.6°120.0°
N2C10C11C12170.5°180.0°
N2C10C11H1268.8°60.0°
N2C10C11H1349.8°60.0°
N2C10C13H1673.8°60.0°
N2C10C13H1744.8°60.0°
C10C11C12C1554.3°60.0°
C10C11C12H12120.7°120.0°
C10C11C12H13120.7°120.0°
C11C10N2H1064.1°25.0°
C10C11H12H13117.9°119.9°
C10C11C12H14174.7°60.0°
C10C11C12H1566.1°180.0°
C11C10C13H16167.0°60.0°
C11C10C13H1774.4°180.0°
O1C6C1C5179.2°179.7°
O1C6C1C2179.3°179.8°
O1C6C5C4178.9°179.7°
O1C6C5H41.1°0.0°
C6O1C7H5180.0°60.1°
C6O1C7H660.0°60.0°
C6O1C7H760.0°180.0°
C16N4C17H21180.0°179.9°
N4C16N3C15178.7°180.0°
N4C16N3C180.9°0.2°
C16N4C17C182.0°0.3°
C16N4C17C22177.3°180.0°
N3C16N4C171.8°0.0°
C16N3C15C18177.5°179.7°
C16N3C15C1272.4°59.7°
C16N3C18C170.3°0.4°
C16N3C18C19178.2°179.8°
C16N3C15H20170.7°179.7°
N3C16N4H21178.2°180.0°
N4C17C18N31.5°0.4°
N4C17C18C22179.3°179.8°
N4C17C18C19179.5°179.7°
N4C17C22C21179.3°179.3°
N4C17C22H250.7°0.0°
N3C15C12H20117.0°120.1°
C15N3C18C17177.8°179.9°
C15N3C18C190.1°0.0°
N3C15C12C11176.4°180.0°
N3C15C12H1463.3°59.9°
N3C15C12H1556.0°60.0°
N3C15C14H1867.2°60.0°
N3C15C14H1951.8°60.0°
C12C15N3C18110.0°120.0°
C15C12C11H14120.4°120.0°
C15C12C11H15120.4°119.9°
C15C12C11H12175.0°180.0°
C15C12C11H1366.4°60.0°
C15C12H14H15118.8°119.9°
C12C15C14H18168.1°180.0°
C12C15C14H1972.9°60.0°
N3C18C17C19178.1°179.9°
N3C18C17C22177.9°179.8°
N3C18C19C20177.4°180.0°
C18N3C15H206.8°0.0°
N3C18C19H222.6°0.0°
C6C1C2C30.2°0.2°
C1C6C5C40.2°0.5°
C6C1N1H190.1°0.1°
C6C1C2H2179.8°179.8°
C1C6C5H4179.8°179.7°
C2C1C6C50.1°0.5°
C1C2C3H2180.0°179.9°
C1C2C3C40.1°0.0°
C1C2C3CL1179.0°180.0°
C2C1N1H191.8°179.7°
C18C17C22C210.1°0.5°
C17C18C19C200.1°0.2°
C18C17N4H21178.1°179.8°
C17C18C19H22179.9°179.8°
C18C17C22H25179.9°179.8°
C22C17C18C190.2°0.1°
C17C22C21H25180.0°179.3°
C17C22C21C200.1°0.6°
C22C17N4H212.6°0.1°
C17C22C21H24179.9°179.8°
C6C5C4H4180.0°179.7°
C6C5C4C30.4°0.3°
C6C5C4H3179.6°179.7°
C18C19C20H22180.0°180.0°
C18C19C20C210.0°0.0°
C18C19C20H23180.0°180.0°
C12C11C10H1168.9°60.0°
C12C11H12H13117.9°120.1°
C11C12H14H15118.8°120.0°
C11C12C15H2066.6°59.9°
C22C21C20C190.1°0.4°
C22C21C20H24180.0°179.6°
C22C21C20H23179.9°179.6°
C19C20C21H23180.0°180.0°
C19C20C21H24179.9°180.0°
C2C3C4C50.4°0.0°
C2C3C4CL1179.1°180.0°
C2C3C4H3179.6°180.0°
C21C20C19H22180.0°180.0°
C20C21C22H25180.0°179.9°
C5C4C3H3180.0°180.0°
C5C4C3CL1178.8°180.0°
C4C3C2H2179.9°180.0°
C3C4C5H4179.6°180.0°
CL1C3C2H21.0°0.1°
CL1C3C4H31.2°0.0°
H1N1C8H878.1°120.3°
H1N1C8H941.4°119.7°
H3C4C5H40.4°0.0°
H5C7H6H7120.0°120.1°
H10N2C10H11176.3°145.0°
H11C10C11H1251.8°60.1°
H11C10C11H13170.4°180.0°
H11C10C13H1646.8°179.9°
H11C10C13H17165.4°60.1°
H12C11C12H1464.7°60.0°
H12C11C12H1554.6°60.0°
H13C11C12H1454.0°180.0°
H13C11C12H15173.2°60.0°
H14C12C15H2053.8°180.0°
H15C12C15H20173.0°60.0°
H16C13C14H1873.9°60.0°
H16C13C14H1945.1°180.0°
H17C13C14H1844.7°60.0°
H17C13C14H19163.6°60.0°
H18C14C15H2049.2°60.0°
H19C14C15H20168.2°180.0°
H22C19C20H230.0°0.0°
H23C20C21H240.1°0.0°
H24C21C22H250.1°0.5°

227344

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