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GKX

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C18C19doub1.38Å1.39ÅAromatic
C18C17sing1.38Å1.39ÅAromatic
C19C20sing1.38Å1.40ÅAromatic
C17C16doub1.38Å1.40ÅAromatic
C20C15doub1.38Å1.37ÅAromatic
C16C15sing1.38Å1.39ÅAromatic
C15C14sing1.51Å1.51Å
C14C12sing1.53Å1.54Å
N1C12sing1.47Å1.45Å
N1C11sing1.35Å1.34Å
C12C13sing1.51Å1.50Å
O3C13doub1.21Å1.25Å
C13O2sing1.34Å1.26Å
C10C11sing1.51Å1.53Å
C10C9sing1.53Å1.53Å
C11O1doub1.21Å1.22Å
C9C8sing1.53Å1.53Å
C8C7sing1.53Å1.51Å
C7C5sing1.53Å1.53Å
C4C5sing1.53Å1.52Å
C4C3sing1.53Å1.54Å
C5C6sing1.53Å1.53Å
C3C2sing1.53Å1.52Å
C6C1sing1.53Å1.53Å
C2C1sing1.53Å1.51Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C2H3sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C4H5sing1.09Å1.10Å
C4H6sing1.09Å1.10Å
C5H7sing1.09Å1.10Å
C6H8sing1.09Å1.10Å
C6H9sing1.09Å1.10Å
C7H10sing1.09Å1.10Å
C7H11sing1.09Å1.10Å
C10H12sing1.09Å1.10Å
C10H13sing1.09Å1.10Å
C12H14sing1.09Å1.10Å
C14H15sing1.09Å1.10Å
C14H16sing1.09Å1.10Å
C16H17sing1.08Å1.08Å
C17H18sing1.08Å1.08Å
C18H19sing1.08Å1.08Å
O2H20sing0.97Å0.95Å
C20H21sing1.08Å1.08Å
C19H22sing1.08Å1.08Å
N1H23sing0.97Å1.00Å
C9H24sing1.09Å1.10Å
C9H25sing1.09Å1.10Å
C8H26sing1.09Å1.10Å
C8H27sing1.09Å1.10Å
C3H28sing1.09Å1.10Å
C3H29sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C19C18C17119.4°120.0°
C18C19C20120.7°120.0°
C19C18H19120.3°120.0°
C18C19H22119.6°120.0°
C18C17C16119.4°120.0°
C18C17H18120.3°120.0°
C17C18H19120.3°120.0°
C19C20C15119.9°120.0°
C19C20H21120.0°120.0°
C20C19H22119.6°120.0°
C17C16C15120.9°120.0°
C17C16H17119.5°120.0°
C16C17H18120.3°120.0°
C20C15C16119.6°120.0°
C20C15C14119.1°120.0°
C15C20H21120.1°120.0°
C16C15C14121.3°120.0°
C15C16H17119.5°120.0°
C15C14C12110.1°109.4°
C15C14H15109.3°109.5°
C15C14H16109.3°109.5°
C14C12N1113.8°109.5°
C14C12C13109.3°109.5°
C14C12H14108.0°109.5°
C12C14H15109.3°109.5°
C12C14H16109.3°109.5°
C12N1C11124.7°120.0°
N1C12C13108.0°109.4°
N1C12H14109.2°109.5°
C12N1H23117.7°120.1°
N1C11C10117.5°120.0°
N1C11O1122.4°120.0°
C11N1H23117.6°120.0°
C12C13O3116.6°120.0°
C12C13O2118.1°120.0°
C13C12H14108.5°109.4°
O3C13O2125.3°120.0°
C13O2H20109.5°117.0°
C11C10C9109.8°109.5°
C10C11O1120.1°120.0°
C11C10H12109.4°109.5°
C11C10H13109.4°109.5°
C10C9C8109.9°109.5°
C9C10H12109.4°109.5°
C9C10H13109.4°109.4°
C10C9H24109.3°109.5°
C10C9H25109.3°109.5°
C9C8C7111.2°109.5°
C8C9H24109.4°109.5°
C8C9H25109.3°109.4°
C9C8H26109.0°109.5°
C9C8H27109.0°109.5°
C8C7C5113.3°109.5°
C8C7H10108.5°109.4°
C8C7H11108.5°109.4°
C7C8H26109.0°109.5°
C7C8H27109.0°109.4°
C7C5C4112.4°109.5°
C7C5C6107.9°109.5°
C7C5H7109.5°109.5°
C5C7H10108.5°109.5°
C5C7H11108.5°109.5°
C5C4C3111.0°109.5°
C4C5C6107.8°109.5°
C5C4H5109.1°109.5°
C5C4H6109.1°109.5°
C4C5H7109.6°109.5°
C4C3C2109.2°109.5°
C3C4H5109.1°109.5°
C3C4H6109.1°109.5°
C4C3H28109.5°109.5°
C4C3H29109.6°109.5°
C5C6C1113.2°109.5°
C6C5H7109.6°109.5°
C5C6H8108.5°109.5°
C5C6H9108.5°109.5°
C3C2C1109.5°109.5°
C3C2H3109.5°109.5°
C3C2H4109.5°109.5°
C2C3H28109.5°109.5°
C2C3H29109.5°109.5°
C6C1C2113.7°109.5°
C6C1H1108.4°109.4°
C6C1H2108.4°109.5°
C1C6H8108.5°109.5°
C1C6H9108.5°109.5°
C2C1H1108.4°109.5°
C2C1H2108.4°109.5°
C1C2H3109.4°109.5°
C1C2H4109.5°109.5°
H1C1H2109.5°109.5°
H3C2H4109.4°109.5°
H5C4H6109.5°109.4°
H8C6H9109.4°109.4°
H10C7H11109.4°109.5°
H12C10H13109.5°109.4°
H15C14H16109.4°109.5°
H24C9H25109.5°109.5°
H26C8H27109.5°109.5°
H28C3H29109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C19C18C17H19180.0°179.8°
C18C19C20H22180.0°179.8°
C19C18C17C160.2°0.1°
C18C19C20C151.0°0.5°
C19C18C17H18179.8°180.0°
C18C19C20H21179.0°179.8°
C17C18C19C200.3°0.2°
C18C17C16H18180.0°179.9°
C18C17C16C150.7°0.1°
C18C17C16H17179.3°179.9°
C17C18C19H22179.6°180.0°
C19C20C15H21180.0°179.7°
C19C20C15C161.5°0.6°
C19C20C15C14179.8°179.8°
C20C19C18H19179.7°180.0°
C17C16C15C201.4°0.3°
C17C16C15H17180.0°180.0°
C17C16C15C14180.0°180.0°
C16C17C18H19179.8°179.7°
C20C15C16C14178.7°179.7°
C20C15C14C1292.7°90.3°
C20C15C14H1527.4°149.7°
C20C15C14H16147.2°29.7°
C20C15C16H17178.6°179.7°
C15C20C19H22179.0°179.6°
C16C15C14C1288.7°90.0°
C16C15C14H15151.3°29.9°
C16C15C14H1631.4°150.0°
C15C16C17H18179.3°180.0°
C16C15C20H21178.5°179.7°
C15C14C12H15120.1°120.0°
C15C14C12H16120.1°120.0°
C15C14C12N155.2°65.0°
C15C14C12C1365.6°175.0°
C15C14C12H14176.6°55.0°
C15C14H15H16119.7°120.1°
C14C15C16H170.0°0.1°
C14C15C20H210.2°0.1°
C14C12N1C13121.5°120.0°
C14C12N1H14120.7°120.1°
C14C12N1C1187.0°155.0°
C14C12C13H14117.5°120.0°
C14C12C13O351.7°120.0°
C14C12C13O2129.9°60.0°
C12C14H15H16119.7°120.0°
C14C12N1H2393.0°24.9°
C12N1C11H23180.0°180.0°
N1C12C13H14118.2°120.0°
N1C12C13O3176.0°0.0°
N1C12C13O25.6°180.0°
C12N1C11C10178.7°180.0°
C12N1C11O11.8°0.0°
N1C12C14H1564.9°55.0°
N1C12C14H16175.3°175.0°
C11N1C12C13151.5°85.0°
N1C11C10O1179.6°180.0°
N1C11C10C9121.0°180.0°
N1C11C10H121.0°60.0°
N1C11C10H13118.9°60.0°
C11N1C12H1433.7°35.0°
C12C13O3O2178.2°179.9°
C13C12C14H15174.3°65.0°
C13C12C14H1654.5°55.0°
C12C13O2H20178.1°180.0°
C13C12N1H2328.6°95.0°
O3C13C12H1465.8°120.0°
O3C13O2H200.0°0.0°
O2C13C12H14112.6°60.0°
C11C10C9H12120.1°120.0°
C11C10C9H13120.1°120.1°
C11C10C9C863.1°180.0°
C11C10H12H13119.8°120.0°
C10C11N1H231.3°0.0°
C11C10C9H24176.9°60.0°
C11C10C9H2557.0°60.0°
C9C10C11O158.6°0.0°
C10C9C8H24120.0°120.0°
C10C9C8H25120.1°120.0°
C10C9C8C7176.3°180.0°
C9C10H12H13119.8°119.9°
C10C9H24H25119.8°120.0°
C10C9C8H2663.4°60.0°
C10C9C8H2756.1°60.0°
O1C11C10H12178.6°120.0°
O1C11C10H1361.5°120.0°
O1C11N1H23178.3°180.0°
C9C8C7H26120.3°120.0°
C9C8C7H27120.2°120.0°
C9C8C7C5168.6°180.0°
C9C8C7H1070.8°60.0°
C9C8C7H1148.0°60.0°
C8C9C10H1257.0°60.0°
C8C9C10H13176.9°60.0°
C8C9H24H25119.8°120.0°
C9C8H26H27119.2°120.0°
C8C7C5H10120.6°120.0°
C8C7C5H11120.6°120.0°
C8C7C5C461.9°175.0°
C8C7C5C6179.4°65.0°
C8C7C5H760.3°55.0°
C8C7H10H11118.2°119.9°
C7C8C9H2456.3°60.0°
C7C8C9H2563.6°60.0°
C7C8H26H27119.2°120.0°
C7C5C4C6118.7°120.0°
C7C5C4H7122.0°120.0°
C7C5C4C3178.5°180.0°
C7C5C6H7119.1°120.0°
C7C5C6C1174.7°180.0°
C7C5C4H561.3°60.0°
C7C5C4H658.3°60.0°
C7C5C6H854.1°60.0°
C7C5C6H964.8°60.0°
C5C7H10H11118.2°120.0°
C5C7C8H2648.3°60.0°
C5C7C8H2771.1°60.0°
C5C4C3H5120.2°120.0°
C5C4C3H6120.2°120.0°
C4C5C6H7119.3°120.0°
C5C4C3C263.9°60.0°
C4C5C6C153.1°60.0°
C5C4H5H6119.3°120.0°
C4C5C6H867.5°180.0°
C4C5C6H9173.6°60.0°
C4C5C7H1058.7°65.0°
C4C5C7H11177.5°55.0°
C5C4C3H2856.1°180.0°
C5C4C3H29176.2°60.0°
C3C4C5C659.8°60.0°
C4C3C2H28119.9°120.0°
C4C3C2H29120.0°120.0°
C4C3C2C157.9°60.0°
C4C3C2H3177.9°60.0°
C4C3C2H462.1°180.0°
C3C4H5H6119.3°120.0°
C3C4C5H759.4°60.0°
C4C3H28H29120.2°120.0°
C5C6C1H8120.6°120.0°
C5C6C1H9120.6°120.0°
C5C6C1C251.3°60.0°
C5C6C1H1172.0°60.0°
C5C6C1H269.3°180.0°
C6C5C4H5180.0°180.0°
C6C5C4H660.4°60.0°
C5C6H8H9118.3°120.0°
C6C5C7H1060.0°55.0°
C6C5C7H1158.8°175.0°
C3C2C1C652.6°60.0°
C3C2C1H3120.0°120.0°
C3C2C1H4120.0°120.0°
C3C2C1H1173.2°60.0°
C3C2C1H268.1°180.0°
C3C2H3H4120.0°120.0°
C2C3C4H5175.9°180.0°
C2C3C4H656.3°60.0°
C2C3H28H29120.1°120.0°
C6C1C2H1120.6°119.9°
C6C1C2H2120.6°120.0°
C6C1H1H2118.1°120.0°
C6C1C2H3172.6°60.0°
C6C1C2H467.5°180.0°
C1C6C5H766.2°60.0°
C1C6H8H9118.3°120.0°
C2C1H1H2118.1°120.0°
C1C2H3H4120.0°120.0°
C2C1C6H869.2°180.0°
C2C1C6H9171.9°60.0°
C1C2C3H2862.1°180.0°
C1C2C3H29177.9°60.0°
H1C1C2H366.8°180.0°
H1C1C2H453.1°60.0°
H1C1C6H851.4°60.0°
H1C1C6H967.4°180.0°
H2C1C2H351.9°60.0°
H2C1C2H4171.9°60.0°
H2C1C6H8170.1°60.0°
H2C1C6H951.3°60.0°
H3C2C3H2857.9°60.0°
H3C2C3H2962.1°NaN°
H4C2C3H28177.9°60.0°
H4C2C3H2957.8°60.0°
H5C4C5H760.8°60.0°
H5C4C3H2864.1°60.0°
H5C4C3H2956.0°60.0°
H6C4C5H7179.7°180.0°
H6C4C3H28176.3°60.0°
H6C4C3H2963.6°179.9°
H7C5C6H8173.2°60.0°
H7C5C6H954.4°180.0°
H7C5C7H10179.1°175.0°
H7C5C7H1160.3°64.9°
H10C7C8H26168.9°180.0°
H10C7C8H2749.5°60.0°
H11C7C8H2672.2°60.0°
H11C7C8H27168.3°180.0°
H12C10C9H2463.1°180.0°
H12C10C9H25177.1°60.0°
H13C10C9H2456.8°60.0°
H13C10C9H2563.1°179.9°
H14C12C14H1556.5°175.0°
H14C12C14H1663.3°65.0°
H14C12N1H23146.3°145.0°
H17C16C17H180.7°0.0°
H18C17C18H190.2°0.2°
H19C18C19H220.4°0.2°
H21C20C19H221.0°0.1°
H24C9C8H26176.6°60.0°
H24C9C8H2764.0°180.0°
H25C9C8H2656.7°180.0°
H25C9C8H27176.1°60.0°

222926

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