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3XO

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N2C14sing1.47Å1.51Å
N2C11sing1.47Å1.46Å
N2C12sing1.47Å1.46Å
C10C11sing1.53Å1.51Å
C10N1sing1.47Å1.49Å
C13C12sing1.53Å1.51Å
C13N1sing1.47Å1.46Å
N1C7sing1.37Å1.35Å
C7C6doub1.40Å1.43Å
C7C8sing1.47Å1.49Å
NC6sing1.37Å1.38Å
NC3sing1.40Å1.39Å
C6C9sing1.47Å1.49Å
C8O1doub1.22Å1.18Å
C8C9sing1.48Å1.53Å
C2C3doub1.39Å1.41ÅAromatic
C2C1sing1.38Å1.41ÅAromatic
C3C4sing1.39Å1.39ÅAromatic
C9O2doub1.22Å1.18Å
C1Cdoub1.39Å1.39ÅAromatic
C4C5doub1.38Å1.39ÅAromatic
CC5sing1.39Å1.36ÅAromatic
COsing1.36Å1.38Å
C5CLsing1.74Å1.71Å
C15Osing1.43Å1.41Å
C15O3sing1.43Å1.41Å
C15C19sing1.53Å1.52Å
O3C16sing1.43Å1.44Å
O6C19sing1.43Å1.44Å
C19C18sing1.53Å1.53Å
C16C20sing1.53Å1.51Å
C16C17sing1.53Å1.52Å
O7C20sing1.43Å1.42Å
C18C17sing1.53Å1.52Å
C18O5sing1.43Å1.42Å
C17O4sing1.43Å1.42Å
C4H6sing1.08Å1.08Å
O4H20sing0.97Å0.95Å
O5H21sing0.97Å0.95Å
C10H8sing1.09Å1.10Å
C10H9sing1.09Å1.10Å
O6H22sing0.97Å0.95Å
C11H11sing1.09Å1.10Å
C11H10sing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C12H13sing1.09Å1.10Å
C13H15sing1.09Å1.10Å
C13H14sing1.09Å1.10Å
O7H25sing0.97Å0.95Å
C14H18sing1.09Å1.10Å
C14H17sing1.09Å1.10Å
C14H16sing1.09Å1.10Å
C15Hsing1.09Å1.10Å
NH7sing0.97Å1.00Å
C2H5sing1.08Å1.08Å
C1H4sing1.08Å1.08Å
C19H3sing1.09Å1.10Å
C18H2sing1.09Å1.10Å
C17H1sing1.09Å1.10Å
C16H19sing1.09Å1.10Å
C20H23sing1.09Å1.10Å
C20H24sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C14N2C11110.6°111.0°
C14N2C12110.3°111.1°
N2C14H18109.5°109.4°
N2C14H17109.5°109.5°
N2C14H16109.5°109.5°
C11N2C12109.7°111.4°
N2C11C10111.1°109.3°
N2C11H11109.0°109.5°
N2C11H10109.1°109.5°
N2C12C13110.8°109.3°
N2C12H12109.1°109.5°
N2C12H13109.1°109.5°
C11C10N1110.1°108.5°
C11C10H8109.3°109.6°
C11C10H9109.3°109.7°
C10C11H11109.1°109.5°
C10C11H10109.1°109.5°
C10N1C13111.5°118.2°
C10N1C7125.3°120.9°
N1C10H8109.3°109.6°
N1C10H9109.3°109.6°
C12C13N1107.6°108.5°
C13C12H12109.2°109.5°
C13C12H13109.2°109.7°
C12C13H15109.9°109.7°
C12C13H14109.9°109.6°
C13N1C7123.2°120.9°
N1C13H15109.9°109.6°
N1C13H14109.9°109.7°
N1C7C6138.0°133.4°
N1C7C8130.2°133.4°
C6C7C891.8°93.2°
C7C6N130.8°135.0°
C7C6C992.3°89.9°
C7C8O1134.6°136.5°
C7C8C988.3°86.9°
C6NC3128.1°120.0°
NC6C9136.9°135.0°
C6NH7115.9°120.0°
NC3C2116.5°120.0°
NC3C4123.0°120.0°
C3NH7115.9°120.0°
C6C9C887.5°90.0°
C6C9O2139.3°135.0°
O1C8C9137.1°136.6°
C8C9O2133.1°135.0°
C3C2C1119.2°120.0°
C2C3C4120.4°120.0°
C3C2H5120.4°120.0°
C2C1C119.7°120.0°
C1C2H5120.4°120.0°
C2C1H4120.1°120.0°
C3C4C5118.4°119.9°
C3C4H6120.8°120.0°
C1CC5119.6°120.0°
C1CO122.1°120.0°
CC1H4120.2°120.0°
C4C5C122.7°120.0°
C4C5CL118.4°120.0°
C5C4H6120.8°120.1°
C5CO118.4°120.0°
CC5CL118.9°120.0°
COC15118.1°117.0°
OC15O3110.5°109.5°
OC15C19107.0°109.5°
OC15H110.0°109.5°
O3C15C19110.9°109.4°
C15O3C16114.7°114.1°
O3C15H109.9°109.5°
C15C19O6109.3°109.5°
C15C19C18109.9°109.2°
C19C15H108.4°109.5°
C15C19H3108.5°109.6°
O3C16C20107.3°109.5°
O3C16C17110.3°109.4°
O3C16H19109.8°109.4°
O6C19C18111.1°109.5°
C19O6H22109.5°114.0°
O6C19H3109.6°109.5°
C19C18C17109.4°109.1°
C19C18O5111.7°109.5°
C18C19H3108.4°109.6°
C19C18H2108.2°109.5°
C20C16C17111.9°109.5°
C16C20O7111.5°109.4°
C20C16H19108.8°109.5°
C16C20H23109.0°109.5°
C16C20H24108.9°109.4°
C16C17C18110.4°109.2°
C16C17O4109.5°109.6°
C16C17H1108.6°109.6°
C17C16H19108.7°109.5°
C20O7H25109.5°113.9°
O7C20H23108.9°109.5°
O7C20H24109.0°109.5°
C17C18O5109.4°109.6°
C18C17O4109.6°109.5°
C17C18H2108.4°109.5°
C18C17H1108.7°109.5°
C18O5H21109.5°114.0°
O5C18H2109.6°109.6°
C17O4H20109.5°114.1°
O4C17H1110.0°109.5°
H8C10H9109.5°109.8°
H11C11H10109.5°109.5°
H12C12H13109.5°109.5°
H15C13H14109.5°109.8°
H18C14H17109.5°109.4°
H18C14H16109.5°109.5°
H17C14H16109.5°109.5°
H23C20H24109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C14N2C11C12121.9°124.3°
C14N2C11C10179.0°172.8°
C14N2C12C13177.0°172.8°
C14N2C11H1160.7°52.8°
C14N2C11H1058.8°67.3°
C14N2C12H1262.8°67.2°
C14N2C12H1356.8°52.7°
N2C14H18H17120.0°120.0°
N2C14H18H16120.0°120.1°
N2C14H17H16120.0°120.1°
N2C11C10H11120.2°119.9°
N2C11C10H10120.3°120.0°
N2C11C10N154.8°53.9°
C11N2C12C1360.9°62.9°
N2C11C10H865.3°173.5°
N2C11C10H9174.9°65.8°
N2C11H11H10119.2°120.1°
C11N2C12H1259.3°57.0°
C11N2C12H13178.8°177.0°
C11N2C14H18180.0°60.1°
C11N2C14H1760.0°180.0°
C11N2C14H1660.0°60.0°
C12N2C11C1057.2°62.9°
N2C12C13H12120.2°119.9°
N2C12C13H13120.2°120.0°
N2C12C13N161.2°53.8°
C12N2C11H11177.4°177.1°
C12N2C11H1063.1°57.1°
N2C12H12H13119.4°120.0°
N2C12C13H15179.1°65.9°
N2C12C13H1458.5°173.5°
C12N2C14H1858.5°175.4°
C12N2C14H1761.5°55.5°
C12N2C14H16178.5°64.5°
C11C10N1H8120.1°119.6°
C11C10N1H9120.1°119.7°
C11C10N1C1356.5°51.5°
C11C10N1C7123.5°128.8°
C11C10H8H9119.7°120.5°
C10C11H11H10119.2°120.1°
C10N1C13C1258.8°51.5°
C10N1C13C7180.0°179.7°
C10N1C7C63.7°180.0°
C10N1C7C8174.5°0.1°
N1C10H8H9119.7°120.5°
N1C10C11H11175.0°173.8°
N1C10C11H1065.5°66.1°
C10N1C13H15178.5°68.2°
C10N1C13H1460.9°171.2°
C12C13N1H15119.7°119.7°
C12C13N1H14119.7°119.7°
C12C13N1C7121.2°128.8°
C13C12H12H13119.4°120.2°
C12C13H15H14120.9°120.5°
C13N1C7C6176.3°0.2°
C13N1C7C85.5°179.7°
C13N1C10H863.6°171.1°
C13N1C10H9176.6°68.3°
N1C13C12H1259.0°66.1°
N1C13C12H13178.6°173.8°
N1C13H15H14120.8°120.5°
N1C7C6C8178.6°179.9°
N1C7C6N0.1°0.3°
N1C7C6C9179.1°179.9°
N1C7C8O10.6°0.1°
N1C7C8C9179.2°179.9°
C7N1C10H8116.4°9.2°
C7N1C10H93.4°111.5°
C7N1C13H151.5°111.5°
C7N1C13H14119.1°9.1°
C7C6NC9178.5°179.7°
C7C6NC3179.1°174.0°
C6C7C8O1178.2°180.0°
C6C7C8C90.5°0.0°
C7C6C9O2179.7°180.0°
C7C6NH70.9°6.0°
C8C7C6N178.5°179.8°
C7C8O1C9178.0°180.0°
C7C8C9O2179.7°180.0°
C6NC3H7180.0°180.0°
NC6C9C8178.4°179.8°
C6NC3C2169.5°34.4°
C6NC3C48.5°145.6°
NC6C9O20.8°0.2°
C3NC6C90.7°5.7°
NC3C2C4178.0°180.0°
NC3C2C1178.0°180.0°
NC3C4C5178.3°180.0°
NC3C4H61.7°0.2°
NC3C2H52.0°0.0°
C6C9C8O1178.2°180.0°
C6C9C8O2179.3°180.0°
C9C6NH7179.4°174.4°
O1C8C9O21.1°0.0°
C3C2C1H5180.0°180.0°
C3C2C1C0.4°0.3°
C2C3C4C50.4°0.1°
C2C3C4H6179.6°179.8°
C2C3NH710.5°145.6°
C3C2C1H4179.6°179.9°
C1C2C3C40.0°0.0°
C2C1CH4180.0°179.8°
C2C1CC50.3°0.5°
C2C1CO178.9°179.9°
C3C4C5H6180.0°179.8°
C3C4C5C0.6°0.2°
C3C4C5CL179.8°179.8°
C4C3NH7171.6°34.5°
C4C3C2H5180.0°179.9°
C1CC5C40.2°0.4°
C1CC5O178.6°179.6°
C1CC5CL179.5°179.5°
C1COC1521.4°0.1°
CC1C2H5179.6°179.8°
C4C5CCL179.3°180.0°
C4C5CO178.4°180.0°
C5COC15160.0°179.5°
CC5C4H6179.5°180.0°
C5CC1H4179.7°179.7°
OCC5CL0.8°0.0°
COC15O353.8°70.0°
COC15C19174.6°170.0°
COC15H67.8°50.0°
OCC1H41.1°0.1°
CLC5C4H60.2°0.0°
OC15O3C19118.5°120.0°
OC15O3H121.6°120.0°
OC15C19H118.6°120.0°
OC15O3C1660.5°58.9°
OC15C19O6173.2°177.7°
OC15C19C1864.6°62.4°
OC15C19H353.7°57.6°
O3C15C19H120.8°120.0°
O3C15C19O666.2°62.3°
O3C15C19C1856.0°57.6°
C15O3C16C20179.6°178.9°
C15O3C16C1757.4°61.1°
O3C15C19H3174.3°177.6°
C15O3C16H1962.4°58.9°
C19C15O3C1658.0°61.1°
C15C19O6C18121.4°119.7°
C15C19O6H3118.8°120.1°
C15C19C18H3118.4°120.0°
C15C19C18C1755.5°56.9°
C15C19C18O5176.8°176.9°
C15C19O6H22180.0°60.0°
C15C19C18H262.4°62.9°
O3C16C20C17121.2°120.0°
O3C16C20H19118.7°120.0°
O3C16C17H19120.4°120.0°
O3C16C20O759.2°65.0°
O3C16C17C1855.2°57.6°
O3C16C17O4175.9°177.5°
C16O3C15H177.9°178.9°
O3C16C17H163.9°62.3°
O3C16C20H2361.1°55.0°
O3C16C20H24179.6°175.1°
O6C19C18H3120.5°120.1°
O6C19C18C1765.6°62.9°
O6C19C18O555.7°57.0°
O6C19C15H54.6°57.7°
O6C19C18H2176.4°177.2°
C19C18C17C1655.5°57.0°
C19C18C17O5122.7°119.9°
C19C18C17H2117.8°119.9°
C19C18O5H2120.0°120.1°
C19C18C17O4176.2°176.9°
C19C18O5H21180.0°59.9°
C18C19O6H2258.6°179.7°
C18C19C15H176.8°177.6°
C19C18C17H163.5°63.0°
C20C16C17H19120.2°120.0°
C16C20O7H23120.3°120.0°
C16C20O7H24120.3°119.9°
C20C16C17C18174.6°177.6°
C20C16C17O464.7°62.5°
C16C20O7H25180.0°180.0°
C20C16C17H155.5°57.7°
C16C20H23H24119.0°120.0°
C17C16C20O761.9°175.1°
C16C17C18O4120.7°120.0°
C16C17C18H1119.1°119.9°
C16C17C18O5178.2°176.9°
C16C17O4H1119.3°120.2°
C16C17O4H20180.0°179.7°
C16C17C18H262.3°62.9°
C17C16C20H23177.7°65.0°
C17C16C20H2458.4°55.1°
O7C20C16H19178.0°55.0°
O7C20H23H24119.0°120.1°
C17C18O5H2118.7°120.2°
C18C17O4H1119.5°120.1°
C18C17O4H2058.8°60.0°
C17C18O5H2158.7°179.6°
C17C18C19H3173.9°176.9°
C18C17C16H1965.2°62.4°
O5C18C17O461.1°63.2°
O5C18C19H364.8°63.1°
O5C18C17H159.2°56.9°
O4C17C18H258.4°57.1°
O4C17C16H1955.5°57.5°
H20O4C17H160.7°60.1°
H21O5C18H260.0°60.2°
H8C10C11H1154.9°66.5°
H8C10C11H10174.4°53.5°
H9C10C11H1164.9°54.1°
H9C10C11H1054.6°174.2°
H22O6C19H361.2°60.1°
H12C12C13H1560.7°174.2°
H12C12C13H14178.7°53.6°
H13C12C13H1558.9°54.1°
H13C12C13H1461.7°66.5°
H25O7C20H2359.6°60.0°
H25O7C20H2459.7°60.1°
H18C14H17H16120.0°120.0°
HC15C19H364.9°62.4°
H5C2C1H40.4°0.0°
H3C19C18H255.9°57.1°
H2C18C17H1178.7°177.2°
H1C17C16H19175.7°177.7°
H19C16C20H2357.6°175.0°
H19C16C20H2461.7°65.0°

248636

PDB entries from 2026-02-04

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