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UXP

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C07C06sing1.53Å1.54Å
C07N08sing1.47Å1.46Å
C18C16sing1.53Å1.54Å
C18C17sing1.53Å1.49Å
C06C05sing1.53Å1.54Å
C02O01sing1.43Å1.45Å
C02C03sing1.53Å1.54Å
C05C04sing1.53Å1.55Å
N08C03sing1.47Å1.48Å
N08C09sing1.38Å1.38Å
C04C03sing1.53Å1.55Å
C09N10sing1.33Å1.37ÅAromatic
C09N26doub1.31Å1.33ÅAromatic
C16C17sing1.53Å1.54Å
C16C15sing1.51Å1.44Å
N10C11doub1.33Å1.31ÅAromatic
N26C25sing1.35Å1.35ÅAromatic
C15C14doub1.35Å1.34ÅAromatic
C15N19sing1.35Å1.50ÅAromatic
C14C13sing1.41Å1.45ÅAromatic
N19N20sing1.40Å1.24ÅAromatic
C11N12sing1.38Å1.45Å
C11C21sing1.46Å1.37ÅAromatic
C13N20doub1.31Å1.50ÅAromatic
C13N12sing1.40Å1.29Å
C25C21sing1.47Å1.46ÅAromatic
C25N24doub1.31Å1.33ÅAromatic
C21C22doub1.38Å1.43ÅAromatic
N24N23sing1.40Å1.40ÅAromatic
C22N23sing1.34Å1.32ÅAromatic
C17H1sing1.09Å1.10Å
C17H2sing1.09Å1.10Å
C14H3sing1.08Å1.08Å
C22H4sing1.08Å1.08Å
C18H5sing1.09Å1.10Å
C18H6sing1.09Å1.10Å
C02H7sing1.09Å1.10Å
C02H8sing1.09Å1.10Å
C03H9sing1.09Å1.10Å
C04H10sing1.09Å1.10Å
C04H11sing1.09Å1.10Å
C05H12sing1.09Å1.10Å
C05H13sing1.09Å1.10Å
C06H14sing1.09Å1.10Å
C06H15sing1.09Å1.10Å
C07H16sing1.09Å1.10Å
C07H17sing1.09Å1.10Å
C16H18sing1.09Å1.10Å
N12H19sing0.97Å1.00Å
N19H20sing0.97Å1.00Å
N23H21sing0.97Å1.00Å
O01H22sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C06C07N08107.1°109.5°
C07C06C05108.9°109.2°
C07C06H14109.6°109.5°
C07C06H15109.6°109.5°
C06C07H16110.1°109.5°
C06C07H17110.1°109.4°
C07N08C03116.5°111.2°
C07N08C09116.6°111.1°
N08C07H16110.1°109.5°
N08C07H17110.1°109.4°
C16C18C1761.1°60.0°
C18C16C1757.7°60.0°
C18C16C15117.3°117.5°
C16C18H5119.8°117.6°
C16C18H6119.8°117.5°
C18C16H18116.0°117.5°
C18C17C1661.2°60.0°
C18C17H1119.8°117.5°
C18C17H2119.8°117.5°
C17C18H5119.8°117.5°
C17C18H6119.8°117.5°
C06C05C04113.4°109.2°
C06C05H12108.5°109.6°
C06C05H13108.5°109.5°
C05C06H14109.6°109.5°
C05C06H15109.6°109.5°
O01C02C03107.1°109.4°
O01C02H7110.1°109.4°
O01C02H8110.1°109.5°
C02O01H22109.5°114.0°
C02C03N08110.8°109.5°
C02C03C04111.7°109.5°
C03C02H7110.1°109.5°
C03C02H8110.1°109.5°
C02C03H9105.7°109.4°
C05C04C03119.0°109.2°
C05C04H10107.1°109.5°
C05C04H11107.0°109.5°
C04C05H12108.5°109.6°
C04C05H13108.4°109.5°
C03N08C09120.9°111.0°
N08C03C04116.0°109.6°
N08C03H9106.3°109.5°
N08C09N10116.7°117.8°
N08C09N26121.2°117.9°
C04C03H9105.5°109.4°
C03C04H10107.1°109.5°
C03C04H11107.0°109.5°
N10C09N26122.1°124.3°
C09N10C11119.7°122.0°
C09N26C25118.6°120.9°
C17C16C15118.1°117.5°
C16C17H1119.8°117.5°
C16C17H2119.8°117.5°
C17C16H18116.0°117.5°
C16C15C14134.2°126.1°
C16C15N19117.8°126.1°
C15C16H18117.9°115.6°
N10C11N12117.9°121.2°
N10C11C21124.1°117.7°
N26C25C21121.6°117.7°
N26C25N24128.7°135.6°
C14C15N19108.1°107.8°
C15C14C13107.2°107.9°
C15C14H3126.4°126.1°
C15N19N20110.6°108.1°
C15N19H20124.7°126.0°
C14C13N20105.5°108.0°
C14C13N12129.6°125.9°
C13C14H3126.4°126.0°
N19N20C13108.6°108.2°
N20N19H20124.7°125.9°
N12C11C21118.0°121.2°
C11N12C13133.5°120.0°
C11N12H19113.2°120.0°
C11C21C25113.9°117.4°
C11C21C22142.9°136.0°
N20C13N12124.9°126.0°
C13N12H19113.2°119.9°
C21C25N24109.7°106.6°
C25C21C22103.2°106.6°
C25N24N23107.2°109.1°
C21C22N23109.4°107.8°
C21C22H4125.3°126.1°
N24N23C22110.5°109.9°
N24N23H21124.8°125.1°
N23C22H4125.3°126.1°
C22N23H21124.8°125.0°
H1C17H2109.5°115.5°
H5C18H6109.5°115.5°
H7C02H8109.4°109.5°
H10C04H11109.5°109.6°
H12C05H13109.5°109.5°
H14C06H15109.5°109.5°
H16C07H17109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C06C07N08H16119.7°120.1°
C06C07N08H17119.6°120.0°
C07C06C05H14119.9°119.9°
C07C06C05H15119.9°119.9°
C07C06C05C0441.8°57.7°
C06C07N08C0358.0°61.8°
C06C07N08C0995.2°174.2°
C07C06C05H1278.8°62.3°
C07C06C05H13162.3°177.6°
C07C06H14H15120.3°120.1°
C06C07H16H17121.1°119.9°
N08C07C06C0571.3°59.2°
C07N08C03C02113.1°178.2°
C07N08C03C09152.0°124.1°
C07N08C03C0415.6°61.7°
C07N08C09N1026.8°117.1°
C07N08C09N26152.2°62.8°
C07N08C03H9132.5°58.3°
N08C07C06H14168.8°179.2°
N08C07C06H1548.6°60.7°
N08C07H16H17121.1°119.9°
C16C18C17H5109.8°107.6°
C16C18C17H6109.8°107.5°
C18C16C17C15106.1°107.5°
C18C16C17H18105.6°107.5°
C18C16C15H18146.2°145.7°
C18C16C15C1442.4°144.9°
C18C16C15N19136.9°35.0°
C16C18C17H1109.8°107.5°
C16C18C17H2109.8°107.5°
C16C18H5H6144.1°145.8°
C18C17H1H2144.1°145.7°
C17C18H5H6144.1°145.6°
C06C05C04H12120.6°120.0°
C06C05C04H13120.6°119.9°
C06C05C04C030.4°57.7°
C06C05C04H10121.8°177.6°
C06C05C04H11120.9°62.2°
C06C05H12H13118.3°120.2°
C05C06H14H15120.3°120.1°
C05C06C07H16169.1°60.8°
C05C06C07H1748.4°179.2°
O01C02C03H7119.6°119.9°
O01C02C03H8119.6°120.0°
O01C02C03N08175.6°64.3°
O01C02C03C0453.4°55.8°
O01C02H7H8121.1°120.0°
O01C02C03H960.9°175.7°
C02C03C04C05142.6°179.2°
C02C03N08C04128.8°120.1°
C02C03N08H9114.3°119.9°
C02C03N08C0994.9°54.1°
C02C03C04H9114.4°119.9°
C03C02H7H8121.1°120.1°
C02C03C04H1021.2°60.9°
C02C03C04H1196.1°59.3°
C03C02O01H22180.0°180.0°
C05C04C03N0814.3°59.2°
C05C04C03H10121.4°119.9°
C05C04C03H11121.3°119.9°
C05C04C03H9103.1°60.8°
C05C04H10H11115.7°120.2°
C04C05H12H13118.2°120.1°
C04C05C06H14161.6°177.6°
C04C05C06H1578.1°62.2°
N08C03C04H9117.3°120.0°
C03N08C09N10125.2°118.7°
C03N08C09N2655.9°61.4°
N08C03C02H764.8°175.8°
N08C03C02H855.9°55.7°
N08C03C04H10107.1°179.1°
N08C03C04H11135.6°60.8°
C03N08C07H16177.7°58.3°
C03N08C07H1761.6°178.3°
C09N08C03C04136.3°174.1°
N08C09N10N26179.0°179.9°
N08C09N10C11179.4°180.0°
N08C09N26C25179.3°179.9°
C09N08C03H919.5°65.9°
C09N08C07H1624.5°65.7°
C09N08C07H17145.2°54.2°
C04C03C02H766.3°64.1°
C04C03C02H8173.0°175.8°
C03C04H10H11115.7°120.1°
C03C04C05H12120.2°62.3°
C03C04C05H13121.0°177.6°
N10C09N26C250.4°0.0°
C09N10C11N12179.8°180.0°
C09N10C11C210.2°0.1°
N26C09N10C110.4°0.1°
C09N26C25C210.2°0.0°
C09N26C25N24179.9°180.0°
C17C16C15H18147.7°145.7°
C17C16C15C1423.7°146.4°
C17C16C15N19157.1°33.6°
C16C17H1H2144.1°145.6°
C16C15C14N19179.3°179.9°
C16C15C14C13179.1°180.0°
C16C15N19N20179.7°179.8°
C15C16C17H13.7°0.0°
C15C16C17H2144.1°145.0°
C16C15C14H30.9°0.2°
C15C16C18H52.2°145.0°
C15C16C18H6142.7°0.0°
C16C15N19H200.3°0.0°
N10C11N12C21179.7°179.9°
N10C11N12C131.8°0.1°
N10C11C21C250.7°0.1°
N10C11C21C22179.0°179.9°
N10C11N12H19178.2°180.0°
N26C25C21C110.8°0.0°
N26C25C21N24179.9°180.0°
N26C25C21C22179.7°180.0°
N26C25N24N23179.7°180.0°
C15C14C13H3180.0°179.8°
C14C15N19N200.2°0.3°
C15C14C13N200.6°0.2°
C15C14C13N12178.8°179.8°
C14C15C16H18171.4°0.7°
C14C15N19H20179.8°180.0°
N19C15C14C130.2°0.1°
C15N19N20H20180.0°179.8°
C15N19N20C130.6°0.4°
N19C15C14H3179.8°179.8°
N19C15C16H189.3°179.3°
C14C13N20N190.7°0.3°
C14C13N12C1116.5°0.1°
C14C13N20N12178.3°179.9°
C14C13N12H19163.6°180.0°
N19N20C13N12179.0°179.6°
C11N12C13N20165.6°180.0°
C11N12C13H19180.0°179.9°
N12C11C21C25179.6°179.9°
N12C11C21C221.3°0.1°
C21C11N12C13177.9°180.0°
C11C21C25C22178.9°180.0°
C11C21C25N24179.3°180.0°
C11C21C22N23178.6°180.0°
C11C21C22H41.4°0.3°
C21C11N12H192.2°0.1°
N20C13C14H3179.5°180.0°
N20C13N12H1914.3°0.1°
C13N20N19H20179.4°179.9°
N12C13C14H31.3°0.0°
C21C25N24N230.4°0.0°
C25C21C22N230.2°0.0°
C25C21C22H4179.8°179.7°
N24C25C21C220.4°0.0°
C25N24N23C220.3°0.0°
C25N24N23H21179.7°179.8°
C21C22N23N240.0°0.0°
C21C22N23H4180.0°179.7°
C21C22N23H21180.0°179.8°
N24N23C22H21180.0°179.9°
N24N23C22H4180.0°179.8°
H1C17C18H50.0°144.9°
H1C17C18H6140.4°0.0°
H1C17C16H18144.6°145.0°
H2C17C18H5140.5°0.1°
H2C17C18H60.0°145.0°
H2C17C16H184.2°0.0°
H4C22N23H210.0°0.1°
H5C18C16H18144.6°0.0°
H6C18C16H184.2°145.1°
H7C02C03H9179.5°55.8°
H7C02O01H2260.4°60.0°
H8C02C03H958.8°64.3°
H8C02O01H2260.4°60.0°
H9C03C04H10135.6°59.0°
H9C03C04H1118.3°179.2°
H10C04C05H121.2°57.6°
H10C04C05H13117.6°62.5°
H11C04C05H12118.5°177.8°
H11C04C05H130.3°57.7°
H12C05C06H1441.1°57.7°
H12C05C06H15161.3°177.8°
H13C05C06H1477.8°62.5°
H13C05C06H1542.4°57.6°
H14C06C07H1649.2°59.1°
H14C06C07H1771.5°60.9°
H15C06C07H1671.0°179.2°
H15C06C07H17168.3°59.3°

226262

PDB entries from 2024-10-16

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