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GJX

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NC2doub1.34Å1.35ÅAromatic
NC5sing1.31Å1.34ÅAromatic
CC1sing1.39Å1.40ÅAromatic
CC7doub1.36Å1.39ÅAromatic
OC13doub1.21Å1.22Å
C1C8doub1.38Å1.39ÅAromatic
C10C12sing1.53Å1.52Å
C10N2sing1.47Å1.45Å
C11C9sing1.53Å1.53Å
C11N3sing1.47Å1.46Å
C12N3sing1.47Å1.47Å
C13C14sing1.51Å1.51Å
C13N3sing1.35Å1.34Å
C14C15sing1.53Å1.56Å
C14C16sing1.53Å1.56Å
C14C23sing1.53Å1.56Å
C15C18sing1.53Å1.49Å
C16C17sing1.53Å1.56Å
C17C19sing1.53Å1.55Å
C17C22sing1.53Å1.55Å
C18C20sing1.52Å1.45Å
C18C22sing1.53Å1.49Å
C19C21sing1.53Å1.49Å
C2C3sing1.42Å1.48ÅAromatic
C2C7sing1.41Å1.49ÅAromatic
C20C21sing1.52Å1.45Å
C20O1doub1.21Å1.22Å
C21C23sing1.52Å1.49Å
C3C4doub1.40Å1.39ÅAromatic
C3C8sing1.41Å1.49ÅAromatic
C4C6sing1.37Å1.39ÅAromatic
C5C6doub1.39Å1.39ÅAromatic
C7N1sing1.48Å1.40Å
C8N2sing1.39Å1.40Å
C9N2sing1.47Å1.46Å
N1O2doub1.22Å1.39Å
N1O3sing1.22Å1.39Å
CH1sing1.08Å1.08Å
C1H2sing1.08Å1.08Å
C10H3sing1.09Å1.10Å
C10H4sing1.09Å1.10Å
C11H5sing1.09Å1.10Å
C11H6sing1.09Å1.10Å
C12H7sing1.09Å1.10Å
C12H8sing1.09Å1.10Å
C15H9sing1.09Å1.10Å
C15H10sing1.09Å1.10Å
C16H11sing1.09Å1.10Å
C16H12sing1.09Å1.10Å
C17H13sing1.09Å1.10Å
C18H14sing1.09Å1.10Å
C19H15sing1.09Å1.10Å
C19H16sing1.09Å1.10Å
C21H17sing1.09Å1.10Å
C22H18sing1.09Å1.10Å
C22H19sing1.09Å1.10Å
C23H20sing1.09Å1.10Å
C23H21sing1.09Å1.10Å
C4H22sing1.08Å1.08Å
C5H23sing1.08Å1.08Å
C6H24sing1.08Å1.08Å
C9H25sing1.09Å1.10Å
C9H26sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2NC5120.4°121.3°
NC2C3120.0°119.8°
NC2C7121.7°121.0°
NC5C6121.7°121.8°
NC5H23119.2°119.2°
C1CC7122.2°121.2°
CC1C8122.7°120.6°
C1CH1118.9°119.4°
CC1H2118.7°119.7°
CC7C2119.5°120.1°
CC7N1120.3°119.9°
C7CH1118.9°119.4°
OC13C14117.7°120.0°
OC13N3120.2°120.0°
C1C8C3119.2°119.4°
C1C8N2118.7°120.4°
C8C1H2118.6°119.7°
C12C10N2103.3°109.4°
C10C12N3108.4°108.5°
C12C10H3111.0°109.5°
C12C10H4111.0°109.5°
C10C12H7109.7°109.7°
C10C12H8109.8°109.6°
C10N2C8119.0°111.0°
C10N2C9119.5°111.3°
N2C10H3111.0°109.5°
N2C10H4111.0°109.5°
C9C11N3105.4°108.5°
C11C9N2105.5°109.3°
C9C11H5110.5°109.6°
C9C11H6110.5°109.7°
C11C9H25110.4°109.5°
C11C9H26110.5°109.5°
C11N3C12115.8°118.2°
C11N3C13119.2°120.9°
N3C11H5110.5°109.6°
N3C11H6110.5°109.7°
C12N3C13124.9°120.9°
N3C12H7109.8°109.6°
N3C12H8109.7°109.6°
C14C13N3122.1°120.0°
C13C14C15111.9°109.2°
C13C14C16108.4°109.2°
C13C14C23111.4°109.2°
C15C14C16106.6°109.5°
C15C14C23112.0°110.8°
C14C15C1895.5°109.9°
C14C15H9112.8°109.4°
C14C15H10112.8°109.4°
C16C14C23106.2°108.8°
C14C16C17114.7°108.7°
C14C16H11108.2°109.6°
C14C16H12108.2°109.6°
C14C23C2195.3°110.8°
C14C23H20112.9°109.4°
C14C23H21112.9°109.4°
C15C18C20117.9°107.5°
C15C18C22120.8°109.0°
C18C15H9112.8°109.4°
C18C15H10112.8°109.4°
C15C18H1495.6°110.8°
C16C17C19107.5°109.5°
C16C17C22107.8°109.5°
C17C16H11108.1°109.6°
C17C16H12108.1°109.6°
C16C17H13109.9°109.2°
C19C17C22111.5°110.9°
C17C19C2194.7°109.9°
C19C17H13110.0°109.2°
C17C19H15113.0°109.4°
C17C19H16113.0°109.4°
C17C22C1894.5°109.9°
C22C17H13110.0°108.5°
C17C22H18113.1°109.4°
C17C22H19113.1°109.4°
C20C18C22118.3°107.2°
C18C20C2184.6°115.1°
C18C20O1137.6°122.4°
C20C18H1495.8°110.9°
C22C18H1495.6°111.4°
C18C22H18113.1°109.4°
C18C22H19113.1°109.4°
C19C21C20118.0°107.2°
C19C21C23120.8°108.5°
C21C19H15113.0°109.4°
C21C19H16113.0°109.4°
C19C21H1795.6°110.8°
C3C2C7118.3°119.2°
C2C3C4118.4°119.1°
C2C3C8118.2°119.5°
C2C7N1120.2°120.0°
C21C20O1137.8°122.5°
C20C21C23118.3°107.7°
C20C21H1795.8°110.9°
C23C21H1795.6°111.6°
C21C23H20112.9°108.9°
C21C23H21112.9°109.0°
C4C3C8123.4°121.4°
C3C4C6118.4°118.2°
C3C4H22120.8°120.9°
C3C8N2122.1°120.3°
C4C6C5121.1°119.9°
C6C4H22120.8°120.9°
C4C6H24119.5°120.0°
C6C5H23119.1°119.1°
C5C6H24119.5°120.1°
C7N1O2120.1°120.0°
C7N1O3120.0°120.0°
C8N2C9121.6°111.0°
N2C9H25110.5°109.5°
N2C9H26110.4°109.5°
O2N1O3120.0°120.0°
H3C10H4109.5°109.5°
H5C11H6109.5°109.8°
H7C12H8109.5°109.8°
H9C15H10109.5°109.3°
H11C16H12109.5°109.8°
H15C19H16109.5°109.3°
H18C22H19109.4°109.3°
H20C23H21109.5°109.3°
H25C9H26109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NC2C7C180.0°179.9°
NC2C3C7179.9°179.9°
NC2C3C40.1°0.1°
NC2C3C8180.0°179.9°
C2NC5C60.1°0.0°
NC2C7N10.2°0.1°
C2NC5H23179.9°180.0°
C5NC2C30.1°0.0°
C5NC2C7179.9°180.0°
NC5C6C40.0°0.0°
NC5C6H23180.0°180.0°
NC5C6H24180.0°180.0°
C1CC7H1180.0°179.9°
CC1C8H2180.0°179.9°
C1CC7C20.2°0.1°
CC1C8C30.3°0.1°
C1CC7N1180.0°180.0°
CC1C8N2179.8°180.0°
C7CC1C80.2°0.1°
CC7C2C30.1°0.0°
CC7C2N1179.8°180.0°
CC7N1O27.8°0.0°
CC7N1O3171.7°180.0°
C7CC1H2179.8°180.0°
OC13N3C1145.7°5.1°
OC13N3C12132.2°174.9°
OC13C14N3179.7°180.0°
OC13C14C1596.2°118.4°
OC13C14C1621.1°1.3°
OC13C14C23137.6°120.2°
C1C8N2C1069.9°112.9°
C1C8C3C20.2°0.0°
C1C8C3C4179.8°180.0°
C1C8C3N2179.6°179.9°
C1C8N2C9109.1°11.4°
C8C1CH1179.7°180.0°
C12C10N2H3119.0°120.0°
C12C10N2H4119.0°120.0°
C10C12N3C110.7°51.2°
C10C12N3H7119.8°119.7°
C10C12N3H8119.8°119.6°
C10C12N3C13178.7°128.8°
C12C10N2C8120.2°172.7°
C12C10N2C958.7°63.1°
C12C10H3H4122.9°120.1°
C10C12H7H8120.5°120.5°
C10N2C9C110.3°63.1°
N2C10C12N356.6°53.9°
C10N2C8C3109.7°67.1°
C10N2C8C9178.9°124.3°
N2C10H3H4122.8°120.0°
N2C10C12H763.3°65.9°
N2C10C12H8176.4°173.5°
C10N2C9H25119.6°176.9°
C10N2C9H26119.1°56.9°
C9C11N3H5119.4°119.7°
C9C11N3H6119.4°119.8°
C9C11N3C1259.4°51.3°
C9C11N3C13118.8°128.8°
C11C9N2C8178.7°172.7°
C11C9N2H25119.4°120.0°
C11C9N2H26119.4°120.0°
C9C11H5H6121.8°120.5°
C11C9H25H26121.9°120.0°
C11N3C12C13178.0°179.9°
C11N3C13C14134.0°174.9°
N3C11C9N257.8°53.9°
N3C11H5H6121.9°120.5°
C11N3C12H7119.1°68.5°
C11N3C12H8120.5°170.9°
N3C11C9H2561.5°173.9°
N3C11C9H26177.2°66.1°
C12N3C13C1448.1°5.2°
N3C12C10H362.5°66.1°
N3C12C10H4175.6°173.8°
C12N3C11H560.0°170.9°
C12N3C11H6178.7°68.6°
N3C12H7H8120.5°120.5°
C13C14C15C16118.4°119.6°
C13C14C15C23125.9°120.4°
C13C14C16C23119.8°119.2°
C13C14C15C18175.4°179.9°
C13C14C16C17179.9°179.6°
C13C14C23C21175.5°179.9°
C13C14C15H957.8°59.9°
C13C14C15H1067.0°59.8°
C13C14C16H1159.3°59.8°
C13C14C16H1259.2°60.7°
C13C14C23H2067.0°59.8°
C13C14C23H2157.9°59.9°
N3C13C14C1584.1°61.6°
N3C13C14C16158.6°178.7°
N3C13C14C2342.1°59.8°
C13N3C11H5121.9°9.2°
C13N3C11H60.6°111.4°
C13N3C12H758.9°111.4°
C13N3C12H861.4°9.2°
C15C14C16C23119.5°121.3°
C14C15C18H9117.6°120.2°
C14C15C18H10117.6°120.1°
C15C14C16C1759.3°60.8°
C14C15C18C2077.7°56.7°
C14C15C18C2282.7°59.2°
C15C14C23C2158.4°59.5°
C14C15H9H10126.5°119.8°
C15C14C16H11179.9°179.4°
C15C14C16H1261.5°58.9°
C14C15C18H14177.3°178.0°
C15C14C23H2059.2°60.6°
C15C14C23H21176.0°179.7°
C16C14C15C1857.0°60.5°
C14C16C17H11120.8°119.8°
C14C16C17H12120.8°119.7°
C14C16C17C1960.4°60.9°
C14C16C17C2259.9°60.9°
C16C14C23C2157.6°60.9°
C16C14C15H960.6°59.7°
C16C14C15H10174.6°179.4°
C14C16H11H12117.7°120.4°
C14C16C17H13179.8°179.6°
C16C14C23H20175.2°179.0°
C16C14C23H2160.0°59.3°
C23C14C15C1858.7°59.5°
C23C14C16C1760.2°60.4°
C14C23C21C1983.0°59.7°
C14C23C21C2077.4°56.0°
C14C23C21H20117.6°120.4°
C14C23C21H21117.6°120.5°
C23C14C15H9176.3°179.7°
C23C14C15H1058.9°60.6°
C23C14C16H1160.5°59.3°
C23C14C16H12179.0°179.8°
C14C23C21H17177.1°177.9°
C14C23H20H21126.7°119.8°
C15C18C22C1782.1°59.2°
C15C18C20C22161.0°117.0°
C15C18C20H1499.5°121.3°
C15C18C22H1499.9°122.5°
C15C18C20C2180.7°58.2°
C15C18C20O199.2°121.8°
C18C15H9H10126.6°119.7°
C15C18C22H18160.4°179.3°
C15C18C22H1935.4°61.0°
C16C17C19C22118.0°120.9°
C16C17C19H13119.7°119.5°
C16C17C22H13119.8°119.1°
C16C17C22C1857.1°60.6°
C16C17C19C2157.0°60.5°
C17C16H11H12117.6°120.4°
C16C17C19H1560.5°59.6°
C16C17C19H16174.5°179.3°
C16C17C22H18174.5°179.3°
C16C17C22H1960.4°59.6°
C19C17C22H13122.3°120.0°
C19C17C22C1860.8°60.3°
C17C19C21H15117.5°120.1°
C17C19C21H16117.5°120.1°
C17C19C21C2078.4°56.9°
C17C19C21C2382.1°59.1°
C19C17C16H1160.3°58.9°
C19C17C16H12178.8°179.4°
C17C19H15H16127.0°119.8°
C17C19C21H17178.0°178.0°
C19C17C22H1856.7°59.8°
C19C17C22H19178.2°179.5°
C17C22C18C2078.3°56.9°
C17C22C18H18117.5°120.1°
C17C22C18H19117.5°120.1°
C22C17C19C2161.0°60.4°
C22C17C16H11179.3°179.4°
C22C17C16H1260.9°58.8°
C17C22C18H14178.0°178.3°
C22C17C19H15178.5°179.5°
C22C17C19H1656.5°59.8°
C17C22H18H19127.0°119.8°
C20C18C22H1499.7°121.5°
C18C20C21C1980.1°58.8°
C18C20C21O1179.9°180.0°
C18C20C21C2380.8°57.7°
C20C18C15H9164.7°176.9°
C20C18C15H1039.9°63.4°
C18C20C21H17179.6°179.9°
C20C18C22H1839.2°63.3°
C20C18C22H19164.2°177.0°
C22C18C20C2180.3°58.8°
C22C18C20O199.8°121.2°
C22C18C15H934.9°61.0°
C22C18C15H10159.6°179.3°
C18C22C17H13176.9°179.7°
C18C22H18H19127.0°119.8°
C19C21C20C23160.9°116.6°
C19C21C20H1799.5°121.1°
C19C21C20O1100.0°121.2°
C19C21C23H17100.0°122.4°
C21C19C17H13176.7°179.9°
C21C19H15H16126.9°119.8°
C19C21C23H20159.5°180.0°
C19C21C23H2134.6°60.8°
C2C3C4C8180.0°180.0°
C2C3C4C60.1°0.0°
C3C2C7N1180.0°180.0°
C2C3C8N2179.8°179.9°
C2C3C4H22179.9°180.0°
C7C2C3C4179.8°180.0°
C7C2C3C80.2°0.0°
C2C7N1O2172.0°180.0°
C2C7N1O38.4°0.1°
C2C7CH1179.8°180.0°
C20C21C23H1799.7°121.9°
C21C20C18H14179.8°179.4°
C20C21C19H15164.1°177.0°
C20C21C19H1639.1°63.3°
C20C21C23H2040.2°64.4°
C20C21C23H21165.0°176.5°
O1C20C21C2399.1°122.2°
O1C20C18H140.3°0.5°
O1C20C21H170.5°0.1°
C23C21C19H1535.4°61.0°
C23C21C19H16160.5°179.3°
C21C23H20H21126.7°119.0°
C3C4C6H22180.0°180.0°
C3C4C6C50.1°0.0°
C4C3C8N20.2°0.0°
C3C4C6H24179.9°180.0°
C8C3C4C6179.9°180.0°
C3C8N2C971.4°168.7°
C3C8C1H2179.8°180.0°
C8C3C4H220.1°0.0°
C4C6C5H24180.0°180.0°
C4C6C5H23180.0°180.0°
C5C6C4H22179.9°180.0°
C7N1O2O3179.5°179.9°
N1C7CH10.0°0.0°
N2C8C1H20.2°0.1°
C8N2C10H3120.8°67.2°
C8N2C10H41.2°52.8°
C8N2C9H2559.3°52.7°
C8N2C9H2662.0°67.3°
C9N2C10H360.3°56.9°
C9N2C10H4177.8°176.9°
N2C9C11H561.6°173.5°
N2C9C11H6177.2°65.9°
N2C9H25H26121.8°120.1°
H1CC1H20.2°0.1°
H3C10C12H7177.7°174.2°
H3C10C12H857.4°53.5°
H4C10C12H755.7°54.1°
H4C10C12H864.6°66.5°
H5C11C9H25179.1°66.5°
H5C11C9H2657.8°53.5°
H6C11C9H2557.8°54.1°
H6C11C9H2663.5°174.1°
H9C15C18H1465.1°61.8°
H10C15C18H1459.7°57.9°
H11C16C17H1359.4°60.7°
H12C16C17H1359.0°59.9°
H13C17C19H1559.2°59.9°
H13C17C19H1665.9°59.8°
H13C17C22H1865.6°60.2°
H13C17C22H1959.5°59.6°
H14C18C22H1860.5°58.2°
H14C18C22H1964.6°61.6°
H15C19C21H1764.5°61.9°
H16C19C21H1760.5°57.8°
H17C21C23H2059.5°57.5°
H17C21C23H2165.3°61.6°
H22C4C6H240.1°0.0°
H23C5C6H240.0°0.0°

226262

PDB entries from 2024-10-16

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