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D4N

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C3doub1.21Å1.22Å
C1C3sing1.51Å1.51Å
C1C6sing1.53Å1.52Å
C1C14sing1.53Å1.52Å
C1C23sing1.53Å1.53Å
C2C5sing1.53Å1.53Å
C2F4sing1.40Å1.32Å
C2F1sing1.40Å1.32Å
C2F3sing1.40Å1.32Å
C3N1sing1.35Å1.33Å
C5C7sing1.53Å1.52Å
C5C8sing1.51Å1.50Å
C5O6sing1.43Å1.43Å
C6C14sing1.53Å1.53Å
C8C9doub1.38Å1.39ÅAromatic
C8C13sing1.38Å1.39ÅAromatic
C9C10sing1.38Å1.39ÅAromatic
C10C11doub1.38Å1.39ÅAromatic
C11C12sing1.38Å1.39ÅAromatic
C11S14sing1.76Å1.60Å
C12C13doub1.38Å1.39ÅAromatic
C18N17sing1.47Å1.49Å
C18C19sing1.53Å1.53Å
S14O15doub1.42Å1.43Å
S14O16doub1.42Å1.43Å
S14N17sing1.66Å1.62Å
N17C22sing1.47Å1.48Å
C22C68sing1.53Å1.53Å
C22C21sing1.53Å1.53Å
C21N20sing1.47Å1.46Å
C19N20sing1.47Å1.46Å
N20C23sing1.47Å1.47Å
C6H6sing1.09Å1.10Å
C6H6Asing1.09Å1.10Å
C7H7sing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
C7H7Bsing1.09Å1.10Å
C9H9sing1.08Å1.08Å
C10H10sing1.08Å1.08Å
C12H12sing1.08Å1.08Å
C13H13sing1.08Å1.08Å
C14H14sing1.09Å1.10Å
C14H14Asing1.09Å1.10Å
C18H18sing1.09Å1.10Å
C18H18Asing1.09Å1.10Å
O6HO6sing0.97Å0.95Å
C22H22sing1.09Å1.10Å
C68H68sing1.09Å1.10Å
C68H68Asing1.09Å1.10Å
C68H68Bsing1.09Å1.10Å
C21H21sing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C19H19Asing1.09Å1.10Å
C23H23sing1.09Å1.10Å
C23H23Asing1.09Å1.10Å
N1HN1sing0.97Å1.00Å
N1HN1Asing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C3C1120.3°120.0°
O1C3N1122.7°120.0°
C3C1C6114.5°117.5°
C3C1C14112.9°117.5°
C3C1C23121.5°115.5°
C1C3N1117.0°120.0°
C6C1C1460.4°60.0°
C6C1C23116.8°117.5°
C1C6C1459.8°60.0°
C1C6H6131.0°117.5°
C1C6H6A136.1°117.5°
C14C1C23115.5°117.5°
C1C14C659.8°60.0°
C1C14H14131.1°117.5°
C1C14H14A136.1°117.5°
C1C23N20111.9°109.5°
C1C23H23108.7°109.5°
C1C23H23A108.1°109.5°
C5C2F4109.0°109.5°
C5C2F1110.8°109.4°
C5C2F3108.9°109.5°
C2C5C7110.4°109.4°
C2C5C8110.5°109.5°
C2C5O6107.6°109.5°
F4C2F1109.2°109.5°
F4C2F3109.8°109.5°
F1C2F3109.0°109.4°
C3N1HN1109.9°120.0°
C3N1HN1A125.1°120.0°
C7C5C8110.9°109.4°
C7C5O6109.8°109.5°
C5C7H7109.5°109.5°
C5C7H7A109.5°109.5°
C5C7H7B109.5°109.5°
C8C5O6107.6°109.5°
C5C8C9119.1°120.0°
C5C8C13121.4°120.0°
C5O6HO6109.5°113.9°
C14C6H6131.0°117.5°
C14C6H6A136.1°117.5°
C6C14H14131.0°117.5°
C6C14H14A136.1°117.5°
C9C8C13119.4°120.0°
C8C9C10120.6°120.0°
C8C9H9119.7°120.0°
C8C13C12119.8°120.0°
C8C13H13120.1°120.0°
C9C10C11120.2°120.0°
C10C9H9119.7°120.0°
C9C10H10119.9°120.0°
C10C11C12119.2°120.0°
C10C11S14119.9°120.0°
C11C10H10119.9°120.0°
C12C11S14120.9°120.0°
C11C12C13120.8°120.0°
C11C12H12119.6°120.0°
C11S14O15108.1°106.4°
C11S14O16110.1°106.4°
C11S14N17113.3°107.3°
C13C12H12119.6°120.0°
C12C13H13120.1°120.0°
N17C18C19115.7°108.5°
C18N17S14112.5°120.9°
C18N17C22116.2°118.2°
N17C18H18107.5°109.6°
N17C18H18A106.0°109.6°
C18C19N20110.2°109.3°
C19C18H18107.5°109.6°
C19C18H18A106.0°109.6°
C18C19H19109.2°109.5°
C18C19H19A109.0°109.5°
O15S14O16109.4°123.1°
O15S14N17107.8°106.4°
O16S14N17108.2°106.4°
S14N17C22110.6°120.9°
N17C22C68108.5°109.6°
N17C22C21114.1°108.5°
N17C22H22107.6°109.6°
C68C22C21111.3°109.6°
C68C22H22110.6°109.6°
C22C68H68109.5°109.5°
C22C68H68A109.4°109.5°
C22C68H68B109.4°109.5°
C22C21N20109.5°109.4°
C21C22H22104.7°109.8°
C22C21H21109.5°109.5°
C22C21H21A109.5°109.5°
C21N20C19106.7°111.2°
C21N20C23109.1°111.0°
N20C21H21109.5°109.5°
N20C21H21A109.5°109.5°
C19N20C23110.5°111.0°
N20C19H19109.2°109.4°
N20C19H19A109.0°109.5°
N20C23H23108.7°109.5°
N20C23H23A108.1°109.5°
H6C6H6A74.6°115.5°
H7C7H7A109.5°109.4°
H7C7H7B109.5°109.5°
H7AC7H7B109.5°109.5°
H14C14H14A74.6°115.5°
H18C18H18A114.5°109.8°
H68C68H68A109.4°109.5°
H68C68H68B109.5°109.4°
H68AC68H68B109.5°109.5°
H21C21H21A109.5°109.5°
H19C19H19A110.1°109.5°
H23C23H23A111.4°109.5°
HN1N1HN1A125.0°119.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C3C1N1179.9°180.0°
O1C3C1C620.6°3.0°
O1C3C1C1446.1°65.6°
O1C3C1C23170.1°148.7°
O1C3N1HN10.1°4.8°
O1C3N1HN1A179.9°175.3°
C3C1C6C14103.5°107.5°
C3C1C6C23151.0°145.0°
C3C1C14C23146.1°145.0°
C3C1C23N2041.5°54.5°
C3C1C6H6136.5°145.0°
C3C1C6H6A23.2°0.0°
C3C1C14H1413.8°0.0°
C3C1C14H14A127.2°145.0°
C3C1C23H23161.5°174.5°
C3C1C23H23A77.5°65.5°
C1C3N1HN1180.0°175.2°
C1C3N1HN1A0.0°4.7°
C6C1C14C23107.7°107.5°
C6C1C3N1159.5°177.0°
C1C6C14H6120.0°107.4°
C1C6C14H6A126.7°107.5°
C6C1C23N20107.3°91.2°
C1C6H6H6A138.7°145.6°
C6C1C14H14120.0°107.5°
C6C1C14H14A126.7°107.5°
C6C1C23H2312.6°28.8°
C6C1C23H23A133.7°148.8°
C14C1C3N1133.8°114.4°
C14C1C23N20175.5°159.8°
C1C14H14H14A138.7°145.7°
C14C1C23H2355.6°39.8°
C14C1C23H23A65.5°80.2°
C23C1C3N110.0°31.3°
C1C23N20C21161.1°164.6°
C1C23N20C1981.9°71.1°
C1C23N20H23120.0°120.0°
C1C23N20H23A119.0°120.0°
C23C1C6H614.4°0.1°
C23C1C6H6A127.8°145.0°
C23C1C14H14132.3°145.0°
C23C1C14H14A18.9°0.0°
C1C23H23H23A119.0°120.0°
C5C2F4F1121.3°120.0°
C5C2F4F3119.2°120.0°
C5C2F1F3119.8°120.0°
C2C5C7C8122.9°120.0°
C2C5C7O6118.4°120.0°
C2C5C8O6117.1°120.0°
C2C5C8C9103.8°111.8°
C2C5C8C1376.1°67.8°
C2C5C7H721.1°60.0°
C2C5C7H7A98.9°180.0°
C2C5C7H7B141.2°60.0°
C2C5O6HO6159.7°60.1°
F4C2F1F3120.0°120.0°
F4C2C5C7172.9°60.6°
F4C2C5C864.0°59.3°
F4C2C5O653.2°179.4°
F1C2C5C766.8°179.3°
F1C2C5C856.3°60.7°
F1C2C5O6173.5°59.4°
F3C2C5C753.1°59.4°
F3C2C5C8176.2°179.4°
F3C2C5O666.6°60.6°
C3N1HN1HN1A180.0°179.9°
C7C5C8O6120.0°120.0°
C7C5C8C9133.4°128.2°
C7C5C8C1346.7°52.1°
C5C7H7H7A120.0°120.0°
C5C7H7H7B120.0°120.0°
C5C7H7AH7B120.0°120.0°
C7C5O6HO639.5°180.0°
C5C8C9C13179.9°179.6°
C5C8C9C10179.7°180.0°
C5C8C13C12179.9°179.8°
C8C5C7H7101.7°180.0°
C8C5C7H7A138.3°60.0°
C8C5C7H7B18.3°60.0°
C5C8C9H90.3°0.1°
C5C8C13H130.1°0.1°
C8C5O6HO681.2°60.0°
O6C5C8C913.4°8.2°
O6C5C8C13166.7°172.1°
O6C5C7H7139.5°60.0°
O6C5C7H7A19.5°60.0°
O6C5C7H7B100.4°180.0°
C14C6H6H6A138.6°145.7°
C6C14H14H14A138.7°145.7°
C8C9C10H9180.0°179.9°
C8C9C10C110.3°0.0°
C9C8C13C120.1°0.6°
C8C9C10H10179.7°179.9°
C9C8C13H13180.0°179.7°
C13C8C9C100.2°0.3°
C8C13C12C110.1°0.5°
C8C13C12H13180.0°179.7°
C13C8C9H9179.7°179.7°
C8C13C12H12179.9°179.7°
C9C10C11H10180.0°179.9°
C9C10C11C120.1°0.0°
C9C10C11S14179.8°180.0°
C10C11C12S14179.9°179.9°
C10C11C12C130.1°0.2°
C10C11S14O1538.6°156.5°
C10C11S14O16158.0°23.6°
C10C11S14N1780.7°90.0°
C11C10C9H9179.7°180.0°
C10C11C12H12179.9°180.0°
C11C12C13H12180.0°179.8°
C12C11S14O15141.3°23.6°
C12C11S14O1621.9°156.5°
C12C11S14N1799.4°90.0°
C12C11C10H10179.9°180.0°
C11C12C13H13179.9°179.8°
S14C11C12C13180.0°179.7°
C11S14N17C1867.9°90.0°
C11S14O15O16119.9°122.9°
C11S14O15N17122.8°114.1°
C11S14O16N17124.2°114.2°
C11S14N17C2264.0°89.9°
S14C11C10H100.2°0.1°
S14C11C12H120.0°0.1°
N17C18C19H18120.0°119.7°
N17C18C19H18A117.2°119.7°
C18N17S14O15172.6°23.6°
C18N17S14O1654.5°156.5°
C18N17S14C22131.9°179.9°
C18N17C22C6893.2°68.5°
C18N17C22C2131.5°51.2°
N17C18C19N2045.8°53.8°
N17C18H18H18A117.5°120.5°
C18N17C22H22147.1°171.1°
N17C18C19H1974.1°66.1°
N17C18C19H19A165.5°173.8°
C19C18N17S14100.3°128.7°
C19C18N17C2228.8°51.2°
C18C19N20C2165.7°63.1°
C18C19N20H19120.0°120.0°
C18C19N20H19A119.7°120.0°
C18C19N20C23175.8°172.7°
C19C18H18H18A117.4°120.5°
C18C19H19H19A119.7°120.1°
O15S14O16N17117.1°122.9°
O15S14N17C2255.5°156.5°
O16S14N17C22173.7°23.6°
S14N17C22C68136.9°111.5°
S14N17C22C2198.4°128.8°
S14N17C18H1819.7°9.1°
S14N17C18H18A142.6°111.5°
S14N17C22H2217.2°8.8°
N17C22C68C21126.3°119.0°
N17C22C68H22117.8°120.4°
N17C22C21H22117.3°119.8°
N17C22C21N2051.9°53.8°
C22N17C18H18148.8°170.8°
C22N17C18H18A88.4°68.5°
N17C22C68H68106.8°60.0°
N17C22C68H68A133.2°180.0°
N17C22C68H68B13.2°60.0°
N17C22C21H21171.9°173.7°
N17C22C21H21A68.2°66.2°
C68C22C21H22119.5°120.5°
C68C22C21N2071.4°65.8°
C22C68H68H68A120.0°120.0°
C22C68H68H68B120.0°120.0°
C22C68H68AH68B120.0°120.0°
C68C22C21H2148.6°54.1°
C68C22C21H21A168.6°174.2°
C22C21N20H21120.0°119.9°
C22C21N20H21A120.0°120.0°
C22C21N20C1969.0°63.1°
C22C21N20C23171.6°172.7°
C21C22C68H68126.8°179.0°
C21C22C68H68A6.9°61.0°
C21C22C68H68B113.2°59.0°
C22C21H21H21A120.0°120.1°
C21N20C19C23118.6°124.2°
N20C21C22H22169.2°173.6°
N20C21H21H21A120.0°120.1°
C21N20C19H1954.3°56.9°
C21N20C19H19A174.7°176.9°
C21N20C23H2378.9°75.4°
C21N20C23H23A42.1°44.7°
N20C19C18H18165.9°173.5°
N20C19C18H18A71.3°65.9°
C19N20C21H21171.0°177.0°
C19N20C21H21A51.0°56.9°
N20C19H19H19A119.7°120.0°
C19N20C23H2338.1°48.9°
C19N20C23H23A159.1°168.9°
C23N20C21H2151.6°52.8°
C23N20C21H21A68.4°67.3°
C23N20C19H1964.2°67.3°
C23N20C19H19A56.1°52.8°
N20C23H23H23A119.0°120.0°
H6C6C14H14120.0°145.0°
H6C6C14H14A6.7°0.0°
H6AC6C14H146.7°0.0°
H6AC6C14H14A106.6°145.0°
H7C7H7AH7B120.0°120.0°
H9C9C10H100.3°0.0°
H12C12C13H130.1°0.0°
H18C18C19H1945.9°53.6°
H18C18C19H19A74.5°66.5°
H18AC18C19H19168.7°174.2°
H18AC18C19H19A48.3°54.1°
H22C22C68H6811.0°60.4°
H22C22C68H68A109.0°59.7°
H22C22C68H68B131.0°179.7°
H22C22C21H2170.8°66.5°
H22C22C21H21A49.1°53.6°
H68C68H68AH68B120.0°119.9°

222415

PDB entries from 2024-07-10

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