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R0I

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C10N10sing1.39Å1.39Å
C10C6Asing1.39Å1.39Å
C10C1Adoub1.38Å1.38Å
C11PTsing1.80Å1.80Å
C11N2sing1.37Å1.37ÅAromatic
C11N3doub1.31Å1.31ÅAromatic
C13C12doub1.34Å1.34ÅAromatic
C13N3sing1.39Å1.39ÅAromatic
C2C3doub1.39Å1.39Å
C2N1sing1.36Å1.36Å
C2C2Asing1.39Å1.39Å
C3C4sing1.39Å1.39Å
C4C4Adoub1.39Å1.39Å
C5C6doub1.39Å1.39Å
C5C4Asing1.40Å1.40Å
C6C6Asing1.39Å1.39Å
C8C9doub1.39Å1.39Å
C8C7sing1.39Å1.39Å
C12N2sing1.35Å1.35ÅAromatic
C12C19sing1.55Å1.55Å
C9AC9sing1.39Å1.39Å
C9N10sing1.35Å1.35Å
C7C6Adoub1.39Å1.39Å
N10PTsing1.82Å1.82Å
C1AC4Asing1.40Å1.40Å
C1AN1sing1.38Å1.38Å
N1PTsing1.82Å1.82Å
PTC17sing2.10Å2.10Å
PTC18sing2.10Å2.10Å
N2C14sing1.39Å1.39Å
N3C15sing1.39Å1.39Å
C17C18doub1.49Å1.49Å
C19C20doub1.35Å1.35ÅAromatic
C19N6sing1.36Å1.36ÅAromatic
C20N5sing1.35Å1.35ÅAromatic
N6N4sing1.34Å1.34ÅAromatic
N4N5doub1.34Å1.34ÅAromatic
PTCPsing2.80Å2.80Å
C13H1sing1.08Å1.08Å
C3H2sing1.08Å1.08Å
C4H3sing1.08Å1.08Å
C5H4sing1.08Å1.08Å
C6H5sing1.08Å1.08Å
C8H6sing1.08Å1.08Å
C9AH7sing1.10Å1.10Å
C9AH8sing1.10Å1.10Å
C9AH9sing1.10Å1.10Å
C7H10sing1.08Å1.08Å
C2AH11sing1.10Å1.10Å
C2AH12sing1.10Å1.10Å
C2AH13sing1.10Å1.10Å
CPH14sing1.10Å1.10Å
CPH15sing1.10Å1.10Å
CPH16sing1.10Å1.10Å
C14H17sing1.10Å1.10Å
C14H18sing1.10Å1.10Å
C14H19sing1.10Å1.10Å
C15H20sing1.10Å1.10Å
C15H21sing1.10Å1.10Å
C15H22sing1.10Å1.10Å
C20H27sing1.08Å1.08Å
N6H28sing1.00Å1.00Å
C17H23sing1.08Å1.08Å
C18H24sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N10C10C6A126.9°126.9°
N10C10C1A113.5°113.5°
C10N10C9114.8°114.8°
C10N10PT114.2°114.2°
C6AC10C1A119.6°119.6°
C10C6AC6120.1°120.1°
C10C6AC7116.4°116.4°
C10C1AC4A120.0°120.0°
C10C1AN1111.4°111.4°
PTC11N2134.0°134.0°
PTC11N3129.5°129.5°
C11PTN1086.3°86.3°
C11PTN188.0°88.0°
C11PTC1784.9°84.9°
C11PTC1885.8°85.8°
C11PTCP174.4°174.4°
N2C11N396.5°96.5°
C11N2C12117.9°117.9°
C11N2C14124.6°124.6°
C11N3C13117.8°117.8°
C11N3C15124.3°124.3°
C12C13N3104.2°104.2°
C13C12N2103.6°103.6°
C13C12C19121.2°121.2°
C12C13H1127.9°127.9°
C13N3C15117.9°117.9°
N3C13H1127.9°127.9°
C3C2N1121.8°121.8°
C3C2C2A117.1°117.1°
C2C3C4124.2°124.2°
C2C3H2117.9°117.9°
N1C2C2A121.0°121.0°
C2N1C1A112.5°112.5°
C2N1PT131.4°131.4°
C2C2AH11109.5°109.5°
C2C2AH12109.4°109.4°
C2C2AH13109.5°109.5°
C3C4C4A115.5°115.5°
C4C3H2117.9°117.9°
C3C4H3122.2°122.2°
C4C4AC5121.6°121.6°
C4C4AC1A117.3°117.3°
C4AC4H3122.2°122.2°
C6C5C4A118.2°118.2°
C5C6C6A121.0°121.0°
C6C5H4120.9°120.9°
C5C6H5119.5°119.5°
C5C4AC1A121.1°121.1°
C4AC5H4120.9°120.9°
C6C6AC7123.6°123.6°
C6AC6H5119.5°119.5°
C9C8C7123.0°123.0°
C8C9C9A118.4°118.4°
C8C9N10121.1°121.1°
C9C8H6118.5°118.5°
C8C7C6A117.8°117.8°
C7C8H6118.5°118.5°
C8C7H10121.1°121.1°
N2C12C19135.3°135.3°
C12N2C14117.4°117.4°
C12C19C20126.2°126.2°
C12C19N6125.7°125.7°
C9AC9N10120.4°120.4°
C9C9AH7109.5°109.5°
C9C9AH8109.4°109.4°
C9C9AH9109.5°109.5°
C9N10PT130.6°130.6°
C6AC7H10121.1°121.1°
N10PTN184.4°84.4°
N10PTC17149.6°149.6°
N10PTC18108.9°108.9°
N10PTCP99.3°99.3°
C4AC1AN1128.6°128.6°
C1AN1PT116.0°116.0°
N1PTC17124.2°124.2°
N1PTC18164.9°164.9°
N1PTCP93.1°93.1°
C17PTC1841.5°41.5°
PTC17C1869.3°69.3°
C17PTCP89.9°89.9°
PTC17H23145.4°145.4°
PTC18C1769.2°69.2°
C18PTCP91.7°91.7°
PTC18H24145.4°145.4°
N2C14H17109.5°109.5°
N2C14H18109.5°109.4°
N2C14H19109.5°109.5°
N3C15H20109.5°109.5°
N3C15H21109.5°109.5°
N3C15H22109.5°109.5°
C18C17H23145.4°145.4°
C17C18H24145.4°145.4°
C20C19N6108.1°108.1°
C19C20N5105.8°105.8°
C19C20H27127.1°127.1°
C19N6N4109.0°109.0°
C19N6H28125.5°125.5°
C20N5N4111.1°111.1°
N5C20H27127.1°127.1°
N6N4N5106.0°106.0°
N4N6H28125.5°125.5°
PTCPH14109.5°109.5°
PTCPH15109.5°109.5°
PTCPH16109.5°109.5°
H7C9AH8109.5°109.5°
H7C9AH9109.4°109.4°
H8C9AH9109.5°109.5°
H11C2AH12109.5°109.5°
H11C2AH13109.5°109.5°
H12C2AH13109.5°109.5°
H14CPH15109.5°109.5°
H14CPH16109.5°109.5°
H15CPH16109.4°109.4°
H17C14H18109.5°109.5°
H17C14H19109.4°109.4°
H18C14H19109.5°109.5°
H20C15H21109.4°109.4°
H20C15H22109.4°109.4°
H21C15H22109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N10C10C6AC1A178.7°178.7°
C10N10PTC1182.7°82.7°
N10C10C6AC6179.5°179.5°
C10N10C9C81.8°1.8°
C10N10C9C9A179.9°179.9°
C10N10C9PT172.3°172.3°
N10C10C6AC71.7°1.7°
N10C10C1AC4A180.0°180.0°
N10C10C1AN10.3°0.3°
C10N10PTN15.7°5.7°
C10N10PTC17156.0°156.0°
C10N10PTC18167.0°167.0°
C10N10PTCP97.9°97.9°
C10C6AC6C51.5°1.5°
C10C6AC6C7177.7°177.7°
C10C6AC7C82.1°2.1°
C6AC10N10C90.4°0.4°
C6AC10N10PT174.0°174.0°
C6AC10C1AC4A1.2°1.2°
C6AC10C1AN1178.5°178.5°
C10C6AC6H5178.5°178.5°
C10C6AC7H10177.9°177.9°
C10C1AN1C2179.1°179.1°
C10C1AC4AC4179.9°179.9°
C10C1AC4AC50.2°0.2°
C1AC10C6AC61.8°1.8°
C1AC10N10C9178.4°178.4°
C1AC10C6AC7179.7°179.7°
C1AC10N10PT4.8°4.8°
C10C1AC4AN1179.6°179.6°
C10C1AN1PT4.3°4.3°
PTC11N2N3179.2°179.2°
PTC11N3C13178.9°178.9°
C11PTN1C295.0°95.0°
PTC11N2C12179.2°179.2°
C11PTN10C989.7°89.7°
C11PTN10N188.4°88.4°
C11PTN10C1773.3°73.3°
C11PTN10C1884.3°84.3°
C11PTN10CP179.4°179.4°
C11PTN1C1A80.8°80.8°
C11PTN1C1782.4°82.4°
C11PTN1C1865.9°65.9°
C11PTN1CP174.5°174.5°
C11PTC17C1889.5°89.5°
C11PTC17CP177.8°177.8°
C11PTC18CP174.9°174.9°
PTC11N2C140.6°0.6°
PTC11N3C150.0°0.0°
C11PTCPH14180.0°180.0°
C11PTCPH1560.0°60.0°
C11PTCPH1660.0°60.0°
C11PTC17H2390.4°90.4°
C11PTC18H2493.1°93.1°
C11N2C12C130.7°0.7°
N2C11N3C131.9°1.9°
C11N2C12C14178.7°178.7°
C11N2C12C19178.9°178.9°
N2C11PTN10133.6°133.6°
N2C11PTN149.1°49.1°
N2C11PTC1775.5°75.5°
N2C11PTC18117.2°117.2°
N2C11N3C15179.3°179.3°
N2C11PTCP52.3°52.3°
C11N2C14H17180.0°180.0°
C11N2C14H1860.0°60.0°
C11N2C14H1960.0°60.0°
C11N3C13C121.7°1.7°
C11N3C13C15178.9°178.9°
N3C11N2C121.6°1.6°
N3C11PTN1045.4°45.4°
N3C11PTN1129.9°129.9°
N3C11PTC17105.5°105.5°
N3C11PTC1863.9°63.9°
N3C11N2C14179.8°179.8°
N3C11PTCP128.7°128.7°
C11N3C13H1178.4°178.4°
C11N3C15H20180.0°180.0°
C11N3C15H2160.0°60.0°
C11N3C15H2260.0°60.0°
C12C13N3H1180.0°180.0°
C13C12N2C19179.6°179.6°
C13C12N2C14179.4°179.4°
C12C13N3C15179.4°179.4°
C13C12C19C200.4°0.4°
C13C12C19N6179.9°179.9°
N3C13C12N20.5°0.5°
N3C13C12C19179.8°179.8°
C13N3C15H201.2°1.2°
C13N3C15H21118.8°118.8°
C13N3C15H22121.2°121.2°
C3C2N1C2A179.9°179.9°
C2C3C4H2180.0°180.0°
C2C3C4C4A0.8°0.8°
C3C2N1C1A1.2°1.2°
C3C2N1PT174.7°174.7°
C2C3C4H3179.2°179.2°
C3C2C2AH11180.0°180.0°
C3C2C2AH1260.0°60.0°
C3C2C2AH1360.0°60.0°
N1C2C3C40.2°0.2°
C2N1PTN10178.5°178.5°
C2N1C1AC4A1.2°1.2°
C2N1C1APT176.6°176.6°
C2N1PTC1712.5°12.5°
C2N1PTC1829.0°29.0°
C2N1PTCP79.5°79.5°
N1C2C3H2179.8°179.8°
N1C2C2AH110.1°0.1°
N1C2C2AH12120.1°120.1°
N1C2C2AH13119.9°119.9°
C2AC2C3C4179.7°179.7°
C2AC2N1C1A178.7°178.7°
C2AC2N1PT5.4°5.4°
C2AC2C3H20.3°0.3°
C2C2AH11H12120.0°120.0°
C2C2AH11H13120.0°120.0°
C2C2AH12H13120.0°120.0°
C3C4C4AH3180.0°180.0°
C3C4C4AC5179.5°179.5°
C3C4C4AC1A0.8°0.8°
C4C4AC5C6179.6°179.6°
C4C4AC5C1A179.7°179.7°
C4C4AC1AN10.3°0.3°
C4AC4C3H2179.2°179.2°
C4C4AC5H40.4°0.4°
C6C5C4AH4180.0°180.0°
C5C6C6AH5180.0°180.0°
C5C6C6AC7179.2°179.2°
C6C5C4AC1A0.1°0.1°
C4AC5C6C6A0.5°0.5°
C5C4AC1AN1179.5°179.5°
C5C4AC4H30.5°0.5°
C4AC5C6H5179.5°179.5°
C6C6AC7C8179.9°179.9°
C6AC6C5H4179.4°179.4°
C6C6AC7H100.1°0.1°
C9C8C7H6180.0°180.0°
C8C9C9AN10178.1°178.1°
C9C8C7C6A0.8°0.8°
C8C9N10PT174.1°174.1°
C8C9C9AH7180.0°180.0°
C8C9C9AH860.0°60.0°
C8C9C9AH960.0°60.0°
C9C8C7H10179.2°179.2°
C7C8C9C9A179.4°179.4°
C7C8C9N101.3°1.3°
C8C7C6AH10180.0°180.0°
N2C12C19C20180.0°180.0°
N2C12C19N60.4°0.4°
N2C12C13H1179.5°179.5°
C12N2C14H171.4°1.4°
C12N2C14H18121.4°121.4°
C12N2C14H19118.6°118.6°
C19C12N2C140.2°0.2°
C12C19C20N6179.7°179.7°
C12C19C20N5179.8°179.8°
C12C19N6N4179.6°179.6°
C19C12C13H10.2°0.2°
C12C19C20H270.2°0.2°
C12C19N6H280.4°0.4°
C9AC9N10PT7.8°7.8°
C9AC9C8H60.6°0.6°
C9C9AH7H8120.0°120.0°
C9C9AH7H9120.0°120.0°
C9C9AH8H9120.0°120.0°
C9N10PTN1178.0°178.0°
C9N10PTC1716.3°16.3°
C9N10PTC185.3°5.3°
C9N10PTCP89.8°89.8°
N10C9C8H6178.7°178.7°
N10C9C9AH71.9°1.9°
N10C9C9AH8118.1°118.1°
N10C9C9AH9121.9°121.9°
C7C6AC6H50.8°0.8°
C6AC7C8H6179.2°179.2°
N10PTN1C1A5.7°5.7°
N10PTN1C17168.9°168.9°
N10PTN1C18152.4°152.4°
N10PTN1CP99.1°99.1°
N10PTC17C1815.8°15.8°
N10PTC17CP108.6°108.6°
N10PTC18CP100.5°100.5°
N10PTCPH145.9°5.9°
N10PTCPH15114.1°114.1°
N10PTCPH16125.9°125.9°
N10PTC17H23164.1°164.1°
N10PTC18H248.4°8.4°
C4AC1AN1PT175.3°175.3°
C1AC4AC4H3179.2°179.2°
C1AC4AC5H4179.9°179.9°
C1AN1PTC17163.2°163.2°
C1AN1PTC18146.7°146.7°
C1AN1PTCP104.8°104.8°
N1PTC17C18173.6°173.6°
N1PTC17CP93.7°93.7°
N1PTC18CP108.7°108.7°
N1PTCPH1478.9°78.9°
N1PTCPH15161.1°161.1°
N1PTCPH1641.1°41.1°
N1PTC17H236.4°6.4°
N1PTC18H24159.3°159.3°
C17PTC18CP87.9°87.9°
PTC17C18H23180.0°180.0°
C17PTCPH14156.9°156.9°
C17PTCPH1536.8°36.8°
C17PTCPH1683.1°83.1°
C17PTC18H24180.0°180.0°
C18PTCPH14115.4°115.4°
C18PTCPH154.6°4.6°
C18PTCPH16124.6°124.6°
N2C14H17H18120.0°120.0°
N2C14H17H19120.0°120.0°
N2C14H18H19120.0°120.0°
C15N3C13H10.5°0.5°
N3C15H20H21120.0°120.0°
N3C15H20H22120.0°120.0°
N3C15H21H22120.0°120.0°
C19C20N5H27180.0°180.0°
C20C19N6N40.1°0.1°
C19C20N5N40.3°0.3°
C20C19N6H28179.9°179.9°
N6C19C20N50.1°0.1°
C19N6N4H28180.0°180.0°
C19N6N4N50.3°0.3°
N6C19C20H27179.9°179.9°
C20N5N4N60.4°0.4°
N4N5C20H27179.7°179.7°
N5N4N6H28179.7°179.7°
PTCPH14H15120.0°120.0°
PTCPH14H16120.0°120.0°
PTCPH15H16120.0°120.0°
CPPTC17H2387.3°87.3°
CPPTC18H2492.0°92.0°
H2C3C4H30.8°0.8°
H4C5C6H50.6°0.6°
H6C8C7H100.8°0.8°
H7C9AH8H9120.0°120.0°
H11C2AH12H13120.0°120.0°
H14CPH15H16120.0°120.0°
H17C14H18H19120.0°120.0°
H20C15H21H22120.0°120.0°
H23C17C18H240.1°0.1°

227344

PDB entries from 2024-11-13

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