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GJ4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C21O22sing1.43Å1.43Å
C21C20sing1.53Å1.58Å
C19C20sing1.53Å1.55Å
C19C18sing1.53Å1.58Å
C18N17sing1.47Å1.45Å
C29C28sing1.51Å1.53Å
C28O30doub1.21Å1.17Å
C28C27sing1.46Å1.56Å
N17C15sing1.35Å1.48Å
C02C03sing1.51Å1.53Å
C02C01sing1.53Å1.54Å
O16C15doub1.21Å1.24Å
C27C03sing1.47Å1.42ÅAromatic
C27C25doub1.38Å1.39ÅAromatic
C03C04doub1.36Å1.39ÅAromatic
C15C14sing1.51Å1.53Å
C25C26sing1.51Å1.55Å
C25N24sing1.35Å1.34ÅAromatic
C04N24sing1.37Å1.34ÅAromatic
C04C05sing1.48Å1.43Å
C05C06doub1.35Å1.36ÅAromatic
C05N23sing1.33Å1.37ÅAromatic
C06S07sing1.76Å1.80ÅAromatic
N23C08doub1.30Å1.34ÅAromatic
C14N09sing1.47Å1.47Å
C14C13sing1.53Å1.58Å
C08S07sing1.76Å1.72ÅAromatic
C08N09sing1.39Å1.48Å
C10N09sing1.47Å1.43Å
C10C11sing1.53Å1.59Å
C13N12sing1.47Å1.35Å
C11N12sing1.47Å1.37Å
C01H1sing1.09Å1.10Å
C01H2sing1.09Å1.10Å
C01H3sing1.09Å1.10Å
C02H4sing1.09Å1.10Å
C02H5sing1.09Å1.10Å
C06H6sing1.08Å1.08Å
C10H7sing1.09Å1.10Å
C10H8sing1.09Å1.10Å
C11H9sing1.09Å1.10Å
C11H10sing1.09Å1.10Å
C13H11sing1.09Å1.10Å
C13H12sing1.09Å1.10Å
C14H13sing1.09Å1.10Å
C18H14sing1.09Å1.10Å
C18H15sing1.09Å1.10Å
C21H16sing1.09Å1.10Å
C21H17sing1.09Å1.10Å
C26H18sing1.09Å1.10Å
C26H19sing1.09Å1.10Å
C26H20sing1.09Å1.10Å
C19H21sing1.09Å1.10Å
C19H22sing1.09Å1.10Å
C20H23sing1.09Å1.10Å
C20H24sing1.09Å1.10Å
C29H25sing1.09Å1.10Å
C29H26sing1.09Å1.10Å
C29H27sing1.09Å1.10Å
N12H28sing1.01Å1.00Å
N17H30sing0.97Å1.00Å
N24H31sing0.97Å1.00Å
O22H32sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O22C21C20108.1°109.5°
O22C21H16109.8°109.4°
O22C21H17109.8°109.4°
C21O22H32109.5°114.0°
C21C20C19112.6°109.4°
C20C21H16109.8°109.5°
C20C21H17109.8°109.5°
C21C20H23108.7°109.5°
C21C20H24108.7°109.5°
C20C19C18112.2°109.5°
C20C19H21108.8°109.4°
C20C19H22108.8°109.5°
C19C20H23108.7°109.5°
C19C20H24108.7°109.5°
C19C18N17110.4°109.4°
C19C18H14109.3°109.5°
C19C18H15109.3°109.5°
C18C19H21108.8°109.4°
C18C19H22108.8°109.5°
C18N17C15119.7°120.0°
N17C18H14109.3°109.5°
N17C18H15109.2°109.5°
C18N17H30120.1°120.0°
C29C28O30120.0°120.0°
C29C28C27119.9°120.0°
C28C29H25109.5°109.4°
C28C29H26109.5°109.4°
C28C29H27109.5°109.4°
O30C28C27120.1°120.0°
C28C27C03126.8°127.0°
C28C27C25126.5°126.9°
N17C15O16120.1°120.0°
N17C15C14119.8°120.0°
C15N17H30120.1°120.0°
C03C02C01112.3°109.5°
C02C03C27126.8°126.8°
C02C03C04127.1°126.9°
C03C02H4108.8°109.5°
C03C02H5108.8°109.4°
C02C01H1109.5°109.5°
C02C01H2109.5°109.5°
C02C01H3109.5°109.5°
C01C02H4108.8°109.5°
C01C02H5108.8°109.4°
O16C15C14120.1°120.0°
C03C27C25106.7°106.1°
C27C03C04106.1°106.3°
C27C25C26125.6°125.8°
C27C25N24108.4°108.4°
C03C04N24108.5°108.8°
C03C04C05125.9°125.6°
C15C14N09108.9°109.5°
C15C14C13108.9°109.5°
C15C14H13108.7°109.6°
C26C25N24126.0°125.7°
C25C26H18109.5°109.5°
C25C26H19109.5°109.4°
C25C26H20109.5°109.5°
C25N24C04110.2°110.3°
C25N24H31124.9°124.8°
N24C04C05125.6°125.6°
C04N24H31124.9°124.9°
C04C05C06121.8°122.4°
C04C05N23121.5°122.4°
C06C05N23116.8°115.2°
C05C06S07104.3°108.3°
C05C06H6127.8°125.8°
C05N23C08116.9°116.9°
C06S07C0894.8°90.1°
S07C06H6127.8°125.9°
N23C08S07107.2°109.5°
N23C08N09126.5°125.3°
N09C14C13112.6°109.3°
C14N09C08120.2°111.0°
C14N09C10107.0°110.9°
N09C14H13109.6°109.5°
C14C13N12112.6°109.4°
C14C13H11108.7°109.5°
C14C13H12108.7°109.5°
C13C14H13108.1°109.5°
S07C08N09126.3°125.2°
C08N09C10120.3°111.0°
N09C10C11112.3°109.3°
N09C10H7108.7°109.5°
N09C10H8108.8°109.5°
C10C11N12112.3°109.4°
C11C10H7108.7°109.5°
C11C10H8108.8°109.5°
C10C11H9108.8°109.5°
C10C11H10108.8°109.5°
C13N12C11112.7°110.9°
N12C13H11108.7°109.5°
N12C13H12108.7°109.5°
C13N12H28108.6°111.0°
N12C11H9108.7°109.5°
N12C11H10108.7°109.5°
C11N12H28108.7°111.0°
H1C01H2109.5°109.4°
H1C01H3109.4°109.5°
H2C01H3109.5°109.5°
H4C02H5109.5°109.5°
H7C10H8109.5°109.5°
H9C11H10109.5°109.4°
H11C13H12109.5°109.5°
H14C18H15109.4°109.4°
H16C21H17109.5°109.5°
H18C26H19109.5°109.5°
H18C26H20109.4°109.5°
H19C26H20109.4°109.5°
H21C19H22109.5°109.5°
H23C20H24109.5°109.4°
H25C29H26109.5°109.5°
H25C29H27109.5°109.5°
H26C29H27109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O22C21C20H16119.8°119.9°
O22C21C20H17119.8°120.0°
O22C21C20C19170.1°180.0°
O22C21H16H17120.6°120.0°
O22C21C20H2369.4°60.0°
O22C21C20H2449.6°60.0°
C21C20C19H23120.5°120.1°
C21C20C19H24120.5°120.0°
C21C20C19C18140.3°180.0°
C20C21H16H17120.6°120.1°
C21C20C19H2199.3°60.1°
C21C20C19H2219.8°59.9°
C21C20H23H24118.6°120.0°
C20C21O22H32180.0°180.0°
C20C19C18H21120.4°119.9°
C20C19C18H22120.4°120.0°
C20C19C18N1770.0°180.0°
C20C19C18H14169.8°60.0°
C20C19C18H1550.1°60.0°
C19C20C21H1650.3°60.1°
C19C20C21H1770.1°60.0°
C20C19H21H22118.7°120.0°
C19C20H23H24118.6°120.0°
C19C18N17H14120.2°120.0°
C19C18N17H15120.1°120.0°
C19C18N17C1588.7°180.0°
C19C18H14H15119.6°120.0°
C18C19H21H22118.8°120.0°
C18C19C20H2319.8°60.0°
C18C19C20H2499.3°60.0°
C19C18N17H3091.3°0.0°
C18N17C15H30180.0°180.0°
C18N17C15O160.1°0.0°
C18N17C15C14180.0°180.0°
N17C18H14H15119.6°120.0°
N17C18C19H2150.4°60.1°
N17C18C19H22169.6°60.0°
C29C28O30C27180.0°180.0°
C29C28C27C0310.7°92.1°
C29C28C27C25169.4°88.2°
C28C29H25H26120.0°120.0°
C28C29H25H27120.0°119.9°
C28C29H26H27120.0°120.0°
O30C28C27C03169.3°87.9°
O30C28C27C2510.6°91.8°
O30C28C29H250.0°94.9°
O30C28C29H26120.0°145.0°
O30C28C29H27120.0°25.0°
C28C27C03C020.0°0.0°
C28C27C03C25179.9°179.7°
C28C27C03C04180.0°180.0°
C28C27C25C260.1°0.3°
C28C27C25N24180.0°179.8°
C27C28C29H25180.0°85.0°
C27C28C29H2660.0°35.0°
C27C28C29H2760.0°155.0°
N17C15O16C14179.9°179.9°
N17C15C14N0920.8°180.0°
N17C15C14C13102.3°60.2°
N17C15C14H13140.1°59.9°
C15N17C18H1431.5°59.9°
C15N17C18H15151.2°60.0°
C03C02C01H4120.4°120.0°
C03C02C01H5120.4°119.9°
C02C03C27C04180.0°179.9°
C02C03C27C25180.0°179.7°
C02C03C04N24180.0°180.0°
C02C03C04C050.1°0.4°
C03C02C01H1180.0°60.0°
C03C02C01H260.0°59.9°
C03C02C01H360.0°180.0°
C03C02H4H5118.7°120.0°
C01C02C03C2774.0°90.0°
C01C02C03C04106.0°89.9°
C02C01H1H2120.0°120.0°
C02C01H1H3120.0°120.0°
C02C01H2H3120.0°120.1°
C01C02H4H5118.7°120.0°
O16C15C14N09159.3°0.0°
O16C15C14C1377.7°119.9°
O16C15C14H1339.9°120.0°
O16C15N17H30179.9°180.0°
C03C27C25C26180.0°180.0°
C03C27C25N240.0°0.4°
C27C03C04N240.1°0.1°
C27C03C04C05179.9°179.7°
C27C03C02H446.4°30.0°
C27C03C02H5165.6°150.1°
C25C27C03C040.1°0.2°
C27C25C26N24179.9°179.5°
C27C25N24C040.0°0.5°
C27C25C26H1890.0°94.5°
C27C25C26H19150.0°25.5°
C27C25C26H2030.0°145.5°
C27C25N24H31180.0°179.6°
C03C04N24C250.0°0.3°
C03C04N24C05179.9°179.7°
C03C04C05C06144.8°155.4°
C03C04C05N2335.2°24.9°
C04C03C02H4133.5°150.1°
C04C03C02H514.4°30.0°
C03C04N24H31180.0°179.7°
C15C14N09C13120.8°119.9°
C15C14N09H13118.8°120.1°
C15C14C13H13117.9°120.1°
C15C14N09C0863.8°63.2°
C15C14N09C1078.4°60.6°
C15C14C13N12137.1°61.5°
C15C14C13H11102.4°178.5°
C15C14C13H1216.6°58.4°
C14C15N17H300.0°0.1°
C26C25N24C04180.0°180.0°
C25C26H18H19120.0°119.9°
C25C26H18H20120.0°120.0°
C25C26H19H20120.0°120.0°
C26C25N24H310.0°0.0°
C25N24C04H31180.0°179.9°
C25N24C04C05179.9°180.0°
N24C25C26H1890.1°86.1°
N24C25C26H1930.0°154.0°
N24C25C26H20149.9°34.0°
N24C04C05C0635.3°25.0°
N24C04C05N23144.6°154.7°
C04C05C06N23179.9°179.7°
C04C05C06S07180.0°180.0°
C04C05N23C08180.0°180.0°
C04C05C06H60.0°0.0°
C05C04N24H310.1°0.1°
C05C06S07H6180.0°179.9°
C06C05N23C080.1°0.3°
C05C06S07C080.0°0.2°
N23C05C06S070.0°0.3°
C05N23C08S070.1°0.1°
C05N23C08N09180.0°179.8°
N23C05C06H6179.9°179.8°
C06S07C08N230.0°0.0°
C06S07C08N09179.9°180.0°
N23C08N09C1416.9°179.9°
N23C08S07N09179.9°180.0°
N23C08N09C10154.1°56.1°
N09C14C13H13121.2°119.9°
C14N09C08S07163.2°0.1°
C14N09C08C10137.2°123.8°
C14N09C10C1160.3°59.4°
N09C14C13N1216.2°58.4°
C14N09C10H760.1°60.6°
C14N09C10H8179.3°179.3°
N09C14C13H11136.7°61.5°
N09C14C13H12104.3°178.4°
C13C14N09C08175.4°176.8°
C13C14N09C1042.5°59.4°
C14C13N12H11120.5°120.0°
C14C13N12H12120.5°120.0°
C14C13N12C1161.2°59.3°
C14C13H11H12118.6°120.1°
C14C13N12H2859.4°176.8°
S07C08N09C1026.0°123.9°
C08S07C06H6180.0°179.9°
C08N09C10C11157.6°176.8°
C08N09C10H782.0°63.2°
C08N09C10H837.2°56.9°
C08N09C14H1355.0°56.9°
N09C10C11H7120.4°120.0°
N09C10C11H8120.5°119.9°
N09C10C11N1219.8°58.4°
N09C10H7H8118.7°120.1°
N09C10C11H9140.2°178.5°
N09C10C11H10100.6°61.5°
C10N09C14H13162.8°179.3°
C10C11N12C1342.8°59.3°
C10C11N12H9120.4°120.0°
C10C11N12H10120.4°120.0°
C11C10H7H8118.7°120.0°
C10C11H9H10118.7°120.0°
C10C11N12H2877.6°176.8°
C13N12C11H28120.5°123.9°
C13N12C11H977.6°179.3°
C13N12C11H10163.3°60.7°
N12C13H11H12118.5°120.0°
N12C13C14H13105.0°178.4°
N12C11C10H7100.6°61.6°
N12C11C10H8140.2°178.4°
N12C11H9H10118.7°120.0°
C11N12C13H11178.4°60.6°
C11N12C13H1259.3°179.3°
H1C01H2H3120.0°120.0°
H1C01C02H459.6°60.0°
H1C01C02H559.6°179.9°
H2C01C02H4179.6°179.9°
H2C01C02H560.5°60.0°
H3C01C02H460.4°60.0°
H3C01C02H5179.6°60.0°
H7C10C11H919.8°58.4°
H7C10C11H10139.0°178.4°
H8C10C11H999.3°61.6°
H8C10C11H1019.9°58.4°
H9C11N12H28161.9°56.8°
H10C11N12H2842.8°63.2°
H11C13C14H1315.5°58.4°
H11C13N12H2861.1°63.3°
H12C13C14H13134.6°61.7°
H12C13N12H28179.8°56.8°
H14C18C19H2169.8°60.0°
H14C18C19H2249.4°180.0°
H14C18N17H30148.5°120.0°
H15C18C19H21170.5°180.0°
H15C18C19H2270.3°60.0°
H15C18N17H3028.8°120.0°
H16C21C20H23170.8°60.0°
H16C21C20H2470.1°179.9°
H16C21O22H3260.2°60.0°
H17C21C20H2350.4°179.9°
H17C21C20H24169.5°60.0°
H17C21O22H3260.2°60.0°
H18C26H19H20119.9°120.0°
H21C19C20H23140.2°60.0°
H21C19C20H2421.1°179.9°
H22C19C20H23100.6°180.0°
H22C19C20H24140.3°60.0°
H25C29H26H27120.0°120.0°

222415

PDB entries from 2024-07-10

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