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VYG

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N3C4sing1.39Å1.35Å
N2C4doub1.33Å1.33ÅAromatic
N2C3sing1.32Å1.33ÅAromatic
C4C5sing1.40Å1.41ÅAromatic
N1C3sing1.39Å1.36Å
C3Ndoub1.32Å1.33ÅAromatic
C6C7sing1.53Å1.53Å
C6Osing1.43Å1.46Å
C5Osing1.36Å1.39Å
C5C2doub1.38Å1.36ÅAromatic
C7C8sing1.53Å1.53Å
F1C17sing1.40Å1.35Å
NC2sing1.33Å1.34ÅAromatic
FC17sing1.40Å1.35Å
C2C1sing1.51Å1.52Å
C17F2sing1.40Å1.34Å
C17C16sing1.53Å1.49Å
C8O1sing1.43Å1.44Å
C18C16sing1.53Å1.53Å
C18C19sing1.53Å1.54Å
C1Csing1.53Å1.55Å
O1C9sing1.36Å1.37Å
C16C15sing1.53Å1.54Å
C19N5sing1.47Å1.48Å
C15C14sing1.53Å1.54Å
N5C14sing1.47Å1.47Å
N5C13sing1.40Å1.40Å
C9C13doub1.39Å1.42ÅAromatic
C9N4sing1.32Å1.30ÅAromatic
C13C12sing1.39Å1.39ÅAromatic
N4C10doub1.32Å1.35ÅAromatic
C12C11doub1.39Å1.40ÅAromatic
C10C11sing1.38Å1.37ÅAromatic
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C6H3sing1.09Å1.10Å
C6H4sing1.09Å1.10Å
C7H5sing1.09Å1.10Å
C7H6sing1.09Å1.10Å
N1H7sing0.97Å1.00Å
N1H8sing0.97Å1.00Å
C8H9sing1.09Å1.10Å
C8H10sing1.09Å1.10Å
C10H11sing1.08Å1.08Å
C11H12sing1.08Å1.08Å
C12H13sing1.08Å1.08Å
C14H14sing1.09Å1.10Å
C14H15sing1.09Å1.10Å
C15H16sing1.09Å1.10Å
C15H17sing1.09Å1.10Å
C16H18sing1.09Å1.10Å
C18H19sing1.09Å1.10Å
C18H20sing1.09Å1.10Å
C19H21sing1.09Å1.10Å
C19H22sing1.09Å1.10Å
N3H23sing0.97Å1.00Å
N3H24sing0.97Å1.00Å
CH25sing1.09Å1.10Å
CH26sing1.09Å1.10Å
CH27sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N3C4N2117.9°120.5°
N3C4C5120.2°120.5°
C4N3H23109.5°120.0°
C4N3H24109.4°120.0°
C4N2C3115.9°120.6°
N2C4C5121.9°119.0°
N2C3N1116.7°119.1°
N2C3N125.5°121.8°
C4C5O118.3°120.8°
C4C5C2118.4°118.4°
N1C3N117.8°119.1°
C3N1H7109.5°120.0°
C3N1H8109.5°120.0°
C3NC2119.2°121.0°
C7C6O103.5°109.5°
C6C7C8110.4°109.4°
C7C6H3111.0°109.5°
C7C6H4111.0°109.5°
C6C7H5109.2°109.5°
C6C7H6109.2°109.5°
C6OC5115.6°117.0°
OC6H3110.9°109.5°
OC6H4110.9°109.5°
OC5C2123.2°120.8°
C5C2N119.1°119.2°
C5C2C1122.7°120.3°
C7C8O1107.5°109.4°
C8C7H5109.2°109.4°
C8C7H6109.2°109.5°
C7C8H9109.9°109.5°
C7C8H10109.9°109.5°
F1C17F106.9°109.5°
F1C17F2106.1°109.5°
F1C17C16112.7°109.5°
NC2C1118.2°120.4°
FC17F2107.8°109.5°
FC17C16112.6°109.4°
C2C1C109.6°109.5°
C2C1H1109.5°109.4°
C2C1H2109.5°109.5°
F2C17C16110.5°109.5°
C17C16C18108.8°109.6°
C17C16C15112.6°109.5°
C17C16H18109.4°109.6°
C8O1C9120.0°117.0°
O1C8H9110.0°109.5°
O1C8H10110.0°109.5°
C16C18C19106.0°109.3°
C18C16C15108.2°109.2°
C18C16H18108.9°109.5°
C16C18H19110.4°109.5°
C16C18H20110.3°109.5°
C18C19N5112.7°109.5°
C19C18H19110.3°109.4°
C19C18H20110.3°109.5°
C18C19H21108.6°109.5°
C18C19H22108.7°109.5°
CC1H1109.4°109.5°
CC1H2109.5°109.5°
C1CH25109.5°109.5°
C1CH26109.5°109.4°
C1CH27109.5°109.5°
O1C9C13116.5°119.7°
O1C9N4118.9°119.7°
C16C15C14110.9°109.3°
C16C15H16109.1°109.5°
C16C15H17109.1°109.5°
C15C16H18108.8°109.5°
C19N5C14111.7°111.2°
C19N5C13115.6°111.0°
N5C19H21108.7°109.5°
N5C19H22108.7°109.4°
C15C14N5110.3°109.5°
C15C14H14109.3°109.5°
C15C14H15109.3°109.4°
C14C15H16109.1°109.5°
C14C15H17109.1°109.5°
C14N5C13116.7°110.9°
N5C14H14109.3°109.5°
N5C14H15109.3°109.5°
N5C13C9121.0°120.5°
N5C13C12123.8°120.5°
C13C9N4124.7°120.6°
C9C13C12115.2°119.0°
C9N4C10119.4°121.7°
C13C12C11120.5°118.4°
C13C12H13119.8°120.8°
N4C10C11121.3°120.9°
N4C10H11119.4°119.5°
C12C11C10119.0°119.4°
C12C11H12120.5°120.3°
C11C12H13119.8°120.8°
C11C10H11119.3°119.5°
C10C11H12120.5°120.3°
H1C1H2109.5°109.4°
H3C6H4109.5°109.5°
H5C7H6109.5°109.5°
H7N1H8109.5°120.0°
H9C8H10109.5°109.4°
H14C14H15109.5°109.5°
H16C15H17109.5°109.6°
H19C18H20109.5°109.5°
H21C19H22109.5°109.5°
H23N3H24109.5°120.0°
H25CH26109.5°109.5°
H25CH27109.4°109.5°
H26CH27109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N3C4N2C5179.0°180.0°
N3C4N2C3179.4°179.7°
N3C4C5O2.0°0.0°
N3C4C5C2179.9°180.0°
C4N3H23H24120.0°179.9°
C4N2C3N1179.7°179.7°
C4N2C3N1.2°0.3°
N2C4C5O179.0°180.0°
N2C4C5C20.9°0.0°
N2C4N3H230.0°179.9°
N2C4N3H24120.0°0.1°
C3N2C4C50.3°0.3°
N2C3N1N178.7°180.0°
N2C3NC22.1°0.0°
N2C3N1H70.0°180.0°
N2C3N1H8120.0°0.0°
C4C5OC686.3°86.2°
C4C5OC2178.0°180.0°
C4C5C2N0.1°0.3°
C4C5C2C1179.1°180.0°
C5C4N3H23179.1°0.1°
C5C4N3H2460.9°179.9°
N1C3NC2179.3°180.0°
C3N1H7H8120.0°179.9°
C3NC2C51.4°0.3°
C3NC2C1179.4°180.0°
NC3N1H7178.7°0.1°
NC3N1H861.3°180.0°
C7C6OH3119.1°120.0°
C7C6OH4119.0°120.0°
C7C6OC5175.8°176.8°
C6C7C8H5120.1°119.9°
C6C7C8H6120.2°120.0°
C6C7C8O158.2°180.0°
C7C6H3H4122.8°120.0°
C6C7H5H6119.6°120.1°
C6C7C8H9177.9°60.0°
C6C7C8H1061.5°59.9°
C6OC5C295.6°93.8°
OC6C7C863.1°180.0°
OC6H3H4122.8°120.0°
OC6C7H5176.8°60.1°
OC6C7H657.1°60.0°
OC5C2N178.0°179.8°
OC5C2C11.1°0.0°
C5OC6H356.8°56.8°
C5OC6H465.1°63.2°
C5C2NC1179.1°179.7°
C5C2C1C109.3°92.9°
C5C2C1H110.7°147.1°
C5C2C1H2130.7°27.1°
C7C8O1H9119.7°120.0°
C7C8O1H10119.7°120.0°
C7C8O1C9168.8°180.0°
C8C7C6H3177.9°60.0°
C8C7C6H455.9°60.0°
C8C7H5H6119.6°120.0°
C7C8H9H10120.9°120.0°
F1C17FF2113.6°120.0°
F1C17FC16124.3°120.0°
F1C17F2C16122.4°120.0°
F1C17C16C1862.1°179.7°
F1C17C16C1557.9°60.0°
F1C17C16H18179.1°60.1°
NC2C1C71.6°87.4°
NC2C1H1168.4°32.6°
NC2C1H248.4°152.6°
FC17F2C16123.4°120.0°
FC17C16C1858.9°60.3°
FC17C16C15178.9°180.0°
FC17C16H1859.9°59.9°
C2C1CH1120.0°120.0°
C2C1CH2120.0°120.0°
C2C1H1H2120.0°120.0°
C2C1CH25180.0°56.4°
C2C1CH2660.0°176.4°
C2C1CH2760.0°63.6°
F2C17C16C18179.5°59.7°
F2C17C16C1560.5°60.0°
F2C17C16H1860.7°179.9°
C17C16C18C15122.7°119.9°
C17C16C18H18119.2°120.2°
C17C16C18C19176.7°177.6°
C17C16C15H18121.5°120.1°
C17C16C15C14179.2°177.6°
C17C16C15H1660.6°62.5°
C17C16C15H1759.0°57.7°
C17C16C18H1957.2°62.5°
C17C16C18H2063.9°57.6°
C8O1C9C13173.6°180.0°
C8O1C9N45.8°0.3°
O1C8C7H561.9°60.1°
O1C8C7H6178.4°60.0°
O1C8H9H10120.9°120.1°
C16C18C19H19119.5°119.9°
C16C18C19H20119.5°120.0°
C18C16C15H18118.2°119.9°
C16C18C19N561.0°59.2°
C18C16C15C1460.5°57.6°
C18C16C15H1659.7°177.6°
C18C16C15H17179.2°62.3°
C16C18H19H20121.6°120.1°
C16C18C19H2159.5°60.8°
C16C18C19H22178.5°179.2°
C19C18C16C1560.7°57.7°
C18C19N5H21120.5°120.0°
C18C19N5H22120.5°120.0°
C18C19N5C1458.8°61.8°
C18C19N5C13164.5°174.2°
C19C18C16H1857.5°62.2°
C19C18H19H20121.5°120.0°
C18C19H21H22118.5°120.0°
CC1H1H2120.0°120.0°
C1CH25H26120.0°120.0°
C1CH25H27120.0°120.1°
C1CH26H27120.0°120.0°
O1C9C13N52.3°0.3°
O1C9C13N4179.3°179.6°
O1C9C13C12179.8°179.7°
O1C9N4C10178.3°179.7°
C9O1C8H971.6°60.0°
C9O1C8H1049.0°60.0°
C16C15C14H16120.2°119.9°
C16C15C14H17120.2°119.9°
C16C15C14N556.2°59.2°
C16C15C14H14176.3°179.2°
C16C15C14H1563.9°60.8°
C16C15H16H17119.3°120.1°
C15C16C18H19179.9°177.6°
C15C16C18H2058.8°62.3°
C19N5C14C1554.2°61.8°
C19N5C14C13136.3°124.1°
C19N5C13C961.7°120.0°
C19N5C13C12115.9°60.0°
C19N5C14H14174.3°178.2°
C19N5C14H1565.9°58.2°
N5C19C18H19179.5°179.2°
N5C19C18H2058.4°60.8°
N5C19H21H22118.5°119.9°
C15C14N5H14120.1°120.0°
C15C14N5H15120.1°120.0°
C15C14N5C13169.5°174.2°
C15C14H14H15119.6°119.9°
C14C15H16H17119.3°120.1°
C14C15C16H1857.7°62.3°
C14N5C13C9163.7°115.8°
C14N5C13C1218.7°64.2°
N5C14H14H15119.6°120.0°
N5C14C15H1664.0°179.1°
N5C14C15H17176.4°60.8°
C14N5C19H2161.7°58.2°
C14N5C19H22179.3°178.2°
N5C13C9C12177.8°180.0°
N5C13C9N4178.3°180.0°
N5C13C12C11178.7°180.0°
N5C13C12H131.3°0.0°
C13N5C14H1449.4°54.1°
C13N5C14H1570.3°65.9°
C13N5C19H2175.1°65.8°
C13N5C19H2244.0°54.2°
C13C9N4C101.0°0.1°
C9C13C12C111.0°0.0°
C9C13C12H13179.1°180.0°
N4C9C13C120.5°0.1°
C9N4C10C112.0°0.0°
C9N4C10H11178.0°179.9°
C13C12C11H13180.0°180.0°
C13C12C11C100.0°0.0°
C13C12C11H12180.0°179.9°
N4C10C11C121.5°0.1°
N4C10C11H11180.0°179.9°
N4C10C11H12178.5°179.9°
C12C11C10H12180.0°180.0°
C12C11C10H11178.5°180.0°
C10C11C12H13180.0°179.9°
H1C1CH2560.0°63.6°
H1C1CH26180.0°56.4°
H1C1CH2760.0°176.4°
H2C1CH2560.0°176.4°
H2C1CH2660.0°63.6°
H2C1CH27180.0°56.4°
H3C6C7H557.8°60.0°
H3C6C7H662.0°180.0°
H4C6C7H564.2°180.0°
H4C6C7H6176.1°60.0°
H5C7C8H957.8°180.0°
H5C7C8H10178.4°60.0°
H6C7C8H961.9°60.0°
H6C7C8H1058.6°180.0°
H11C10C11H121.5°0.0°
H12C11C12H130.0°0.1°
H14C14C15H1656.1°60.9°
H14C14C15H1763.4°59.3°
H15C14C15H16175.9°59.1°
H15C14C15H1756.3°179.2°
H16C15C16H18177.9°57.7°
H17C15C16H1862.5°177.8°
H18C16C18H1962.0°57.7°
H18C16C18H20176.9°177.8°
H19C18C19H2160.0°59.2°
H19C18C19H2259.0°60.9°
H20C18C19H21178.9°179.2°
H20C18C19H2262.1°59.2°
H25CH26H27119.9°120.0°

222415

PDB entries from 2024-07-10

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