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J2L

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C01C02doub1.36Å1.39ÅAromatic
C02C03sing1.40Å1.42ÅAromatic
C03N04doub1.31Å1.40ÅAromatic
C01S05sing1.76Å1.76Å
S05C06sing1.81Å1.80Å
C01C07sing1.41Å1.44ÅAromatic
N04N08sing1.40Å1.44ÅAromatic
C07N08sing1.37Å1.39ÅAromatic
N08C09sing1.36Å1.35ÅAromatic
C09C10doub1.35Å1.40ÅAromatic
C07N11doub1.33Å1.34ÅAromatic
C10N11sing1.33Å1.35ÅAromatic
C10C12sing1.51Å1.50Å
C09C13sing1.51Å1.52Å
S05O14doub1.42Å1.51Å
S05O15doub1.42Å1.51Å
C03C16sing1.51Å1.50Å
C16C17sing1.53Å1.49Å
C17C18sing1.51Å1.52Å
C18N19sing1.34Å1.36ÅAromatic
N19N20sing1.40Å1.36ÅAromatic
N20C21doub1.31Å1.31ÅAromatic
C18N22doub1.31Å1.31ÅAromatic
C21N22sing1.34Å1.37ÅAromatic
N19C23sing1.46Å1.45Å
C21N24sing1.40Å1.40Å
N24C25sing1.49Å1.40Å
C25C26sing1.54Å1.50Å
C26C27sing1.54Å1.49Å
N24C28sing1.49Å1.44Å
C27C28sing1.54Å1.47Å
C02H29sing1.08Å1.08Å
C06H32sing1.09Å1.10Å
C06H31sing1.09Å1.10Å
C06H30sing1.09Å1.10Å
C13H37sing1.09Å1.10Å
C13H36sing1.09Å1.10Å
C13H38sing1.09Å1.10Å
C16H39sing1.09Å1.10Å
C16H40sing1.09Å1.10Å
C17H42sing1.09Å1.10Å
C17H41sing1.09Å1.10Å
C23H43sing1.09Å1.10Å
C23H44sing1.09Å1.10Å
C23H45sing1.09Å1.10Å
C25H46sing1.09Å1.10Å
C25H47sing1.09Å1.10Å
C26H48sing1.09Å1.10Å
C26H49sing1.09Å1.10Å
C27H50sing1.09Å1.10Å
C27H51sing1.09Å1.10Å
C28H53sing1.09Å1.10Å
C28H52sing1.09Å1.10Å
C12H34sing1.09Å1.10Å
C12H33sing1.09Å1.10Å
C12H35sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C01C02C03123.5°120.1°
C02C01S05123.9°120.4°
C02C01C07116.3°119.1°
C01C02H29118.2°119.9°
C02C03N04120.8°121.0°
C02C03C16118.5°119.5°
C03C02H29118.2°119.9°
C03N04N08115.3°120.6°
N04C03C16120.6°119.5°
C01S05C06117.2°104.5°
S05C01C07119.8°120.4°
C01S05O14109.7°104.3°
C01S05O15110.3°104.3°
C06S05O14110.4°110.5°
C06S05O1592.8°110.6°
S05C06H32109.5°109.5°
S05C06H31109.5°109.5°
S05C06H30109.5°109.4°
C01C07N08119.9°119.1°
C01C07N11127.8°132.8°
N04N08C07124.1°120.0°
N04N08C09131.2°133.0°
C07N08C09104.7°107.0°
N08C07N11112.2°108.0°
N08C09C10108.3°107.3°
N08C09C13124.0°126.4°
C09C10N11109.0°108.6°
C09C10C12128.6°125.7°
C10C09C13127.5°126.4°
C07N11C10105.8°109.1°
N11C10C12122.4°125.7°
C10C12H34109.5°109.5°
C10C12H33109.5°109.5°
C10C12H35109.4°109.5°
C09C13H37109.5°109.4°
C09C13H36109.5°109.5°
C09C13H38109.4°109.5°
O14S05O15115.9°121.0°
C03C16C17109.8°109.4°
C03C16H39109.4°109.4°
C03C16H40109.4°109.5°
C16C17C18106.8°109.4°
C17C16H39109.4°109.5°
C17C16H40109.4°109.5°
C16C17H42110.1°109.5°
C16C17H41110.1°109.5°
C17C18N19123.4°125.9°
C17C18N22128.1°125.9°
C18C17H42110.1°109.4°
C18C17H41110.1°109.5°
C18N19N20108.7°106.4°
N19C18N22108.4°108.2°
C18N19C23123.6°126.7°
N19N20C21105.3°106.8°
N20N19C23127.7°126.8°
N20C21N22111.2°108.7°
N20C21N24121.2°125.6°
C18N22C21106.4°109.8°
N22C21N24127.6°125.6°
N19C23H43109.5°109.5°
N19C23H44109.5°109.4°
N19C23H45109.5°109.5°
C21N24C25122.0°111.0°
C21N24C28122.8°111.0°
N24C25C26100.1°104.6°
C25N24C28112.1°104.2°
N24C25H46111.8°110.4°
N24C25H47111.7°110.5°
C25C26C27105.4°105.1°
C26C25H46111.8°110.4°
C26C25H47111.8°110.4°
C25C26H48110.5°110.3°
C25C26H49110.5°110.3°
C26C27C28103.6°105.0°
C27C26H48110.5°110.3°
C27C26H49110.5°110.4°
C26C27H50110.9°110.3°
C26C27H51110.9°110.3°
N24C28C27105.2°104.6°
N24C28H53110.5°110.4°
N24C28H52110.5°110.5°
C28C27H50110.9°110.3°
C28C27H51110.9°110.3°
C27C28H53110.6°110.4°
C27C28H52110.5°110.5°
H32C06H31109.5°109.5°
H32C06H30109.4°109.5°
H31C06H30109.5°109.4°
H37C13H36109.5°109.5°
H37C13H38109.5°109.5°
H36C13H38109.5°109.5°
H39C16H40109.5°109.5°
H42C17H41109.5°109.5°
H43C23H44109.4°109.5°
H43C23H45109.5°109.4°
H44C23H45109.5°109.5°
H46C25H47109.5°110.3°
H48C26H49109.5°110.4°
H50C27H51109.5°110.4°
H53C28H52109.4°110.3°
H34C12H33109.5°109.5°
H34C12H35109.4°109.4°
H33C12H35109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C01C02C03H29180.0°179.9°
C01C02C03N040.6°0.1°
C02C01S05C07179.9°179.8°
C02C01S05C06135.6°115.0°
C02C01C07N081.1°0.1°
C02C01C07N11176.7°180.0°
C02C01S05O148.7°129.0°
C02C01S05O15120.0°1.1°
C01C02C03C16176.5°180.0°
C02C03N04C16175.8°179.9°
C03C02C01S05179.1°180.0°
C03C02C01C070.7°0.2°
C02C03N04N080.8°0.6°
C02C03C16C1793.0°179.9°
C02C03C16H39146.9°60.0°
C02C03C16H4027.1°60.0°
C03N04N08C071.3°0.8°
C03N04N08C09175.9°179.9°
N04C03C16C1791.1°0.0°
N04C03C02H29179.3°180.0°
N04C03C16H3929.0°120.0°
N04C03C16H40148.8°120.0°
C01S05C06O14126.6°111.6°
C01S05C06O15114.5°111.7°
S05C01C07N08178.8°179.8°
S05C01C07N113.2°0.2°
C01S05O14O15125.6°116.7°
S05C01C02H290.9°0.1°
C01S05C06H32180.0°59.9°
C01S05C06H3160.0°180.0°
C01S05C06H3060.0°60.1°
C06S05C01C0744.2°65.2°
C06S05O14O15103.7°131.5°
S05C06H32H31120.0°120.1°
S05C06H32H30120.0°120.0°
S05C06H31H30120.0°119.9°
C01C07N08N041.4°0.6°
C01C07N08N11176.2°180.0°
C01C07N08C09176.4°180.0°
C01C07N11C10177.1°180.0°
C07C01S05O14171.1°50.9°
C07C01S05O1560.1°178.7°
C07C01C02H29179.3°179.7°
N04N08C07C09177.8°179.4°
N04N08C09C10178.6°179.3°
N04N08C07N11177.7°179.5°
N04N08C09C134.5°0.6°
N08N04C03C16176.6°179.5°
C07N08C09C101.0°0.0°
N08C07N11C101.2°0.0°
C07N08C09C13177.9°179.9°
N08C09C10C13176.8°179.9°
C09N08C07N110.2°0.0°
N08C09C10N111.8°0.0°
N08C09C10C12177.7°180.0°
N08C09C13H3791.7°90.0°
N08C09C13H36148.3°150.0°
N08C09C13H3828.3°30.0°
C09C10N11C071.8°0.0°
C09C10N11C12179.5°180.0°
C10C09C13H3791.9°90.1°
C10C09C13H3628.1°29.9°
C10C09C13H38148.1°150.0°
C09C10C12H34179.4°90.1°
C09C10C12H3359.4°30.0°
C09C10C12H3560.6°150.0°
C07N11C10C12177.7°180.0°
N11C10C09C13178.6°179.9°
N11C10C12H340.0°89.9°
N11C10C12H33120.0°150.0°
N11C10C12H35120.0°30.0°
C12C10C09C130.8°0.1°
C10C12H34H33120.0°120.0°
C10C12H34H35120.0°120.0°
C10C12H33H35120.0°120.0°
C09C13H37H36120.0°120.0°
C09C13H37H38120.0°120.0°
C09C13H36H38120.0°120.0°
O14S05C06H3253.4°51.7°
O14S05C06H31173.5°68.4°
O14S05C06H3066.5°171.7°
O15S05C06H3265.5°171.6°
O15S05C06H3154.5°68.3°
O15S05C06H30174.5°51.6°
C03C16C17H39120.0°120.0°
C03C16C17H40120.0°120.0°
C03C16C17C18179.4°180.0°
C16C03C02H293.5°0.1°
C03C16H39H40119.8°120.0°
C03C16C17H4261.0°60.0°
C03C16C17H4159.8°60.0°
C16C17C18H42119.6°120.0°
C16C17C18H41119.6°120.0°
C16C17C18N19132.5°90.0°
C16C17C18N2251.4°90.3°
C17C16H39H40119.9°120.0°
C16C17H42H41121.2°120.1°
C17C18N19N22176.8°179.7°
C17C18N19N20178.4°180.0°
C17C18N22C21178.3°179.8°
C17C18N19C230.5°0.0°
C18C17C16H3959.4°60.0°
C18C17C16H4060.6°60.0°
C18C17H42H41121.2°120.0°
C18N19N20C23177.8°180.0°
C18N19N20C210.9°0.0°
N19C18N22C211.7°0.4°
N19C18C17H4213.0°30.0°
N19C18C17H41107.9°150.0°
C18N19C23H43177.5°90.0°
C18N19C23H4462.5°150.0°
C18N19C23H4557.5°30.0°
N20N19C18N221.7°0.3°
N19N20C21N220.2°0.2°
N19N20C21N24177.9°179.9°
N20N19C23H430.0°90.0°
N20N19C23H44120.0°30.0°
N20N19C23H45120.0°150.0°
N20C21N22C181.2°0.4°
N20C21N22N24177.9°179.6°
C21N20N19C23176.9°180.0°
N20C21N24C25160.3°0.4°
N20C21N24C281.8°114.9°
N22C18N19C23176.2°179.7°
C18N22C21N24176.7°179.9°
N22C18C17H42170.9°149.7°
N22C18C17H4168.2°29.7°
N22C21N24C2517.4°180.0°
N22C21N24C28175.9°64.6°
N19C23H43H44120.0°120.0°
N19C23H43H45120.0°120.0°
N19C23H44H45120.0°120.0°
C21N24C25C28160.5°119.5°
C21N24C25C26169.2°159.0°
C21N24C28C27172.5°159.0°
C21N24C25H4650.7°40.2°
C21N24C25H4772.4°82.2°
C21N24C28H5353.1°82.2°
C21N24C28H5268.2°40.1°
N24C25C26H46118.4°118.8°
N24C25C26H47118.4°118.9°
N24C25C26C2736.8°23.8°
C25N24C28C2712.1°39.5°
N24C25H46H47124.3°122.5°
N24C25C26H4882.5°95.0°
N24C25C26H49156.2°142.8°
C25N24C28H53107.2°158.3°
C25N24C28H52131.5°79.4°
C25C26C27H48119.4°118.9°
C25C26C27H49119.4°118.9°
C26C25N24C2830.3°39.5°
C25C26C27C2830.6°0.0°
C26C25H46H47124.4°122.3°
C25C26H48H49121.9°122.2°
C25C26C27H50149.6°118.8°
C25C26C27H5188.5°118.9°
C26C27C28N2412.1°23.9°
C26C27C28H50119.1°118.9°
C26C27C28H51119.0°118.8°
C27C26C25H46155.3°95.0°
C27C26C25H4781.6°142.8°
C27C26H48H49121.9°122.2°
C26C27H50H51122.7°122.2°
C26C27C28H53131.5°142.7°
C26C27C28H52107.2°95.1°
N24C28C27H53119.3°118.8°
N24C28C27H52119.3°119.0°
C28N24C25H46148.8°79.3°
C28N24C25H4788.2°158.3°
N24C28C27H50131.2°95.0°
N24C28C27H51106.9°142.8°
N24C28H53H52121.9°122.5°
C28C27C26H4888.8°118.9°
C28C27C26H49149.9°118.9°
C28C27H50H51122.7°122.2°
C27C28H53H52122.0°122.4°
H32C06H31H30119.9°120.0°
H37C13H36H38120.0°120.0°
H39C16C17H42178.9°59.9°
H39C16C17H4160.2°180.0°
H40C16C17H4259.0°180.0°
H40C16C17H41179.9°60.0°
H43C23H44H45120.0°120.0°
H46C25C26H4835.9°146.2°
H46C25C26H4985.4°24.0°
H47C25C26H48159.0°23.9°
H47C25C26H4937.7°98.3°
H48C26C27H5030.3°0.0°
H48C26C27H51152.2°122.2°
H49C26C27H5091.0°122.2°
H49C26C27H5130.9°0.1°
H50C27C28H53109.5°23.8°
H50C27C28H5211.9°146.1°
H51C27C28H5312.4°98.5°
H51C27C28H52133.7°23.8°
H34C12H33H35120.0°120.0°

225946

PDB entries from 2024-10-09

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