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BUE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O34P35doub1.48Å1.46Å
O36P35sing1.61Å1.68Å
P35O38sing1.61Å1.70Å
P35O37sing1.61Å1.47Å
O38P39sing1.61Å1.69Å
O42P39sing1.61Å1.66Å
O42C43sing1.43Å1.40Å
O41P39doub1.48Å1.46Å
P39O40sing1.61Å1.47Å
C43C44sing1.51Å1.52Å
O36H1sing0.97Å0.95Å
O37H2sing0.97Å0.95Å
O40H3sing0.97Å0.95Å
C43H4sing1.09Å1.10Å
C43H5sing1.09Å1.10Å
C44H6sing1.08Å1.08Å
C44C1doub1.31Å85.86Å
C1C2sing1.51Å0.00Å
C1C15sing1.51Å0.00Å
C2H7sing1.09Å0.00Å
C2H8sing1.09Å0.00Å
C15H25sing1.09Å0.00Å
C15H26sing1.09Å0.00Å
C15C19sing1.53Å0.00Å
C19C20sing1.51Å0.00Å
C20C21doub1.31Å0.00Å
C21C22sing1.51Å0.00Å
C21C3sing1.51Å0.00Å
C2H9sing1.09Å0.00Å
C19H10sing1.09Å0.00Å
C19H11sing1.09Å0.00Å
C20H12sing1.08Å0.00Å
C22H13sing1.09Å0.00Å
C22H14sing1.09Å0.00Å
C22H15sing1.09Å0.00Å
C3H16sing1.09Å0.00Å
C3H17sing1.09Å0.00Å
C3C4sing1.53Å0.00Å
C4C5sing1.51Å0.00Å
C5C6doub1.31Å0.00Å
C6C7sing1.51Å0.00Å
C6C8sing1.51Å0.00Å
C4H18sing1.09Å0.00Å
C4H19sing1.09Å0.00Å
C5H20sing1.08Å0.00Å
C7H21sing1.09Å0.00Å
C7H22sing1.09Å0.00Å
C7H23sing1.09Å0.00Å
C8H24sing1.09Å0.00Å
C8H27sing1.09Å0.00Å
C8C9sing1.53Å0.00Å
C9C10sing1.51Å0.00Å
C10C11doub1.31Å0.00Å
C11C12sing1.51Å0.00Å
C11C13sing1.51Å0.00Å
C9H28sing1.09Å0.00Å
C9H29sing1.09Å0.00Å
C10H30sing1.08Å0.00Å
C12H31sing1.09Å0.00Å
C12H32sing1.09Å0.00Å
C12H33sing1.09Å0.00Å
C13H34sing1.09Å0.00Å
C13H35sing1.09Å0.00Å
C13H36sing1.09Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O34P35O36109.5°109.5°
O34P35O38110.8°109.5°
O34P35O3797.1°109.5°
O36P35O38115.6°109.5°
O36P35O37110.9°109.5°
P35O36H1109.5°114.0°
O38P35O37111.5°109.5°
P35O38P39131.8°134.0°
P35O37H2109.5°114.1°
O38P39O42111.3°109.4°
O38P39O41110.6°109.5°
O38P39O40113.4°109.5°
P39O42C43118.5°123.0°
O42P39O41110.1°109.4°
O42P39O40113.1°109.5°
O42C43C44107.3°109.4°
O42C43H4110.0°109.5°
O42C43H5110.0°109.5°
O41P39O4097.6°109.5°
P39O40H3109.5°114.0°
C44C43H4110.0°109.5°
C44C43H5110.0°109.5°
C43C44H6143.9°120.0°
C43C44C172.2°120.0°
H4C43H5109.5°109.5°
H6C44C1143.9°120.0°
C44C1C290.0°120.0°
C44C1C1590.0°120.0°
C2C1C1590.0°120.0°
C1C2H790.0°109.5°
C1C2H890.0°109.5°
C1C2H990.0°109.5°
C1C15H2590.0°109.5°
C1C15H2690.0°109.5°
C1C15C1990.0°109.5°
H7C2H890.0°109.4°
H7C2H990.0°109.5°
H8C2H990.0°109.5°
H25C15H2690.0°109.4°
H25C15C1990.0°109.5°
H26C15C1990.0°109.5°
C15C19C2090.0°109.5°
C15C19H1090.0°109.5°
C15C19H1190.0°109.4°
C19C20C2190.0°119.9°
C20C19H1090.0°109.5°
C20C19H1190.0°109.5°
C19C20H1290.0°120.0°
C20C21C2290.0°120.0°
C20C21C390.0°120.0°
C21C20H1290.0°120.1°
C22C21C390.0°120.0°
C21C22H1390.0°109.5°
C21C22H1490.0°109.5°
C21C22H1590.0°109.5°
C21C3H1690.0°109.5°
C21C3H1790.0°109.4°
C21C3C490.0°109.5°
H10C19H1190.0°109.5°
H13C22H1490.0°109.5°
H13C22H1590.0°109.4°
H14C22H1590.0°109.5°
H16C3H1790.0°109.5°
H16C3C490.0°109.5°
H17C3C490.0°109.5°
C3C4C590.0°109.4°
C3C4H1890.0°109.5°
C3C4H1990.0°109.4°
C4C5C690.0°120.0°
C5C4H1890.0°109.5°
C5C4H1990.0°109.5°
C4C5H2090.0°120.0°
C5C6C790.0°120.0°
C5C6C890.0°120.0°
C6C5H2090.0°120.0°
C7C6C890.0°120.0°
C6C7H2190.0°109.5°
C6C7H2290.0°109.5°
C6C7H2390.0°109.4°
C6C8H2490.0°109.5°
C6C8H2790.0°109.5°
C6C8C990.0°109.5°
H18C4H1990.0°109.4°
H21C7H2290.0°109.5°
H21C7H2390.0°109.4°
H22C7H2390.0°109.6°
H24C8H2790.0°109.4°
H24C8C990.0°109.5°
H27C8C990.0°109.5°
C8C9C1090.0°109.5°
C8C9H2890.0°109.5°
C8C9H2990.0°109.4°
C9C10C1190.0°120.0°
C10C9H2890.0°109.5°
C10C9H2990.0°109.4°
C9C10H3090.0°120.0°
C10C11C1290.0°120.0°
C10C11C1390.0°120.0°
C11C10H3090.0°120.0°
C12C11C1390.0°120.0°
C11C12H3190.0°109.4°
C11C12H3290.0°109.5°
C11C12H3390.0°109.5°
C11C13H3490.0°109.5°
C11C13H3590.0°109.5°
C11C13H3690.0°109.5°
H28C9H2990.0°109.5°
H31C12H3290.0°109.5°
H31C12H3390.0°109.4°
H32C12H3390.0°109.4°
H34C13H3590.0°109.5°
H34C13H3690.0°109.5°
H35C13H3690.0°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O34P35O36O38125.9°120.0°
O34P35O36O37106.0°120.0°
O34P35O38O37106.9°120.0°
O34P35O38P39177.3°45.0°
O34P35O36H10.0°180.0°
O34P35O37H20.0°60.0°
O36P35O38O37127.8°120.0°
O36P35O38P3952.1°75.0°
O36P35O37H2114.0°60.0°
P35O38P39O4248.2°165.0°
P35O38P39O41170.9°45.0°
P35O38P39O4080.6°75.0°
O38P35O36H1125.9°60.0°
O38P35O37H2115.7°180.0°
O37P35O38P3975.7°165.0°
O37P35O36H1106.0°60.0°
O38P39O42O41123.0°120.0°
O38P39O42O40129.0°120.0°
O38P39O42C43155.2°175.0°
O38P39O41O40118.6°120.0°
O38P39O40H3116.5°60.0°
O42P39O41O40118.0°120.0°
P39O42C43C4473.4°180.0°
O42P39O40H3115.7°60.0°
P39O42C43H446.3°60.0°
P39O42C43H5167.0°60.1°
C43O42P39O4132.2°55.1°
C43O42P39O4075.8°65.0°
O42C43C44H4119.7°120.0°
O42C43C44H5119.6°120.0°
O42C43H4H5121.0°120.0°
O42C43C44H6136.5°44.6°
O42C43C44C143.5°135.4°
O41P39O40H30.0°180.0°
C44C43H4H5121.0°120.0°
C43C44H6C1180.0°180.0°
C43C44C1C290.0°177.5°
C43C44C1C1590.0°2.5°
H4C43C44H616.9°75.4°
H4C43C44C1163.2°104.6°
H5C43C44H6103.9°164.6°
H5C43C44C176.1°15.4°
H6C44C1C290.0°2.5°
H6C44C1C1590.0°177.5°
C44C1C2C1590.0°180.0°
C44C1C2H790.0°90.0°
C44C1C2H890.0°150.0°
C44C1C15H2590.0°145.8°
C44C1C15H2690.0°25.8°
C44C1C15C1990.0°94.2°
C44C1C2H990.0°30.0°
C1C2H7H890.0°120.0°
C1C2H7H990.0°120.0°
C1C2H8H990.0°120.1°
C2C1C15H2590.0°34.2°
C2C1C15H2690.0°154.2°
C2C1C15C1990.0°85.8°
C15C1C2H790.0°90.0°
C15C1C2H890.0°29.9°
C1C15H25H2690.0°120.0°
C1C15H25C1990.0°120.1°
C1C15H26C1990.0°120.0°
C1C15C19C2090.0°180.0°
C15C1C2H990.0°150.0°
C1C15C19H1090.0°60.0°
C1C15C19H1190.0°60.0°
H7C2H8H990.0°120.0°
H25C15H26C1990.0°120.0°
H25C15C19C2090.0°59.9°
H25C15C19H1090.0°180.0°
H25C15C19H1190.0°60.0°
H26C15C19C2090.0°60.0°
H26C15C19H1090.0°60.0°
H26C15C19H1190.0°180.0°
C15C19C20H1090.0°120.0°
C15C19C20H1190.0°119.9°
C15C19C20C2190.0°125.7°
C15C19H10H1190.0°119.9°
C15C19C20H1290.0°54.3°
C19C20C21H1290.0°179.9°
C19C20C21C2290.0°175.9°
C19C20C21C390.0°4.0°
C20C19H10H1190.0°120.0°
C20C21C22C390.0°179.9°
C21C20C19H1090.0°5.7°
C21C20C19H1190.0°114.4°
C20C21C22H1390.0°90.0°
C20C21C22H1490.0°150.0°
C20C21C22H1590.0°29.9°
C20C21C3H1690.0°148.6°
C20C21C3H1790.0°28.6°
C20C21C3C490.0°91.3°
C22C21C20H1290.0°4.1°
C21C22H13H1490.0°120.0°
C21C22H13H1590.0°120.0°
C21C22H14H1590.0°120.0°
C22C21C3H1690.0°31.4°
C22C21C3H1790.0°151.4°
C22C21C3C490.0°88.6°
C3C21C20H1290.0°175.9°
C3C21C22H1390.0°90.1°
C3C21C22H1490.0°30.0°
C3C21C22H1590.0°150.0°
C21C3H16H1790.0°120.0°
C21C3H16C490.0°120.0°
C21C3H17C490.0°120.0°
C21C3C4C590.0°180.0°
C21C3C4H1890.0°60.0°
C21C3C4H1990.0°60.0°
H10C19C20H1290.0°174.3°
H11C19C20H1290.0°65.7°
H13C22H14H1590.0°119.9°
H16C3H17C490.0°120.1°
H16C3C4C590.0°60.0°
H16C3C4H1890.0°180.0°
H16C3C4H1990.0°60.0°
H17C3C4C590.0°60.1°
H17C3C4H1890.0°60.0°
H17C3C4H1990.0°179.9°
C3C4C5H1890.0°120.0°
C3C4C5H1990.0°120.0°
C3C4C5C690.0°116.0°
C3C4H18H1990.0°120.0°
C3C4C5H2090.0°64.1°
C4C5C6H2090.0°179.9°
C4C5C6C790.0°174.1°
C4C5C6C890.0°5.9°
C5C4H18H1990.0°120.0°
C5C6C7C890.0°180.0°
C6C5C4H1890.0°4.0°
C6C5C4H1990.0°124.0°
C5C6C7H2190.0°90.0°
C5C6C7H2290.0°150.1°
C5C6C7H2390.0°30.0°
C5C6C8H2490.0°148.8°
C5C6C8H2790.0°28.9°
C5C6C8C990.0°91.1°
C7C6C5H2090.0°5.8°
C6C7H21H2290.0°120.0°
C6C7H21H2390.0°119.9°
C6C7H22H2390.0°120.0°
C7C6C8H2490.0°31.2°
C7C6C8H2790.0°151.1°
C7C6C8C990.0°88.9°
C8C6C5H2090.0°174.2°
C8C6C7H2190.0°90.0°
C8C6C7H2290.0°30.0°
C8C6C7H2390.0°150.1°
C6C8H24H2790.0°120.0°
C6C8H24C990.0°120.0°
C6C8H27C990.0°120.0°
C6C8C9C1090.0°180.0°
C6C8C9H2890.0°59.9°
C6C8C9H2990.0°60.1°
H18C4C5H2090.0°175.9°
H19C4C5H2090.0°55.9°
H21C7H22H2390.0°120.0°
H24C8H27C990.0°120.0°
H24C8C9C1090.0°59.9°
H24C8C9H2890.0°180.0°
H24C8C9H2990.0°60.0°
H27C8C9C1090.0°60.0°
H27C8C9H2890.0°60.1°
H27C8C9H2990.0°179.9°
C8C9C10H2890.0°120.1°
C8C9C10H2990.0°120.0°
C8C9C10C1190.0°127.0°
C8C9H28H2990.0°120.0°
C8C9C10H3090.0°52.9°
C9C10C11H3090.0°179.9°
C9C10C11C1290.0°6.3°
C9C10C11C1390.0°173.8°
C10C9H28H2990.0°119.9°
C10C11C12C1390.0°179.9°
C11C10C9H2890.0°112.9°
C11C10C9H2990.0°7.1°
C10C11C12H3190.0°86.7°
C10C11C12H3290.0°153.3°
C10C11C12H3390.0°33.3°
C10C11C13H3490.0°59.9°
C10C11C13H3590.0°180.0°
C10C11C13H3690.0°60.1°
C12C11C10H3090.0°173.8°
C11C12H31H3290.0°120.1°
C11C12H31H3390.0°120.0°
C11C12H32H3390.0°120.0°
C12C11C13H3490.0°120.0°
C12C11C13H3590.0°0.1°
C12C11C13H3690.0°120.0°
C13C11C10H3090.0°6.1°
C13C11C12H3190.0°93.4°
C13C11C12H3290.0°26.6°
C13C11C12H3390.0°146.6°
C11C13H34H3590.0°120.1°
C11C13H34H3690.0°120.0°
C11C13H35H3690.0°120.0°
H28C9C10H3090.0°67.1°
H29C9C10H3090.0°172.9°
H31C12H32H3390.0°120.0°
H34C13H35H3690.0°120.0°

223790

PDB entries from 2024-08-14

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