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A1H18

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CLC20sing1.74Å1.74Å
C20C19doub1.34Å1.36ÅAromatic
C20C17sing1.47Å1.44ÅAromatic
C19N3sing1.37Å1.37ÅAromatic
CL1C16sing1.74Å1.73Å
C17C16doub1.40Å1.39ÅAromatic
C17C18sing1.40Å1.41ÅAromatic
N3C18sing1.38Å1.37ÅAromatic
C16C15sing1.38Å1.38ÅAromatic
C18C13doub1.40Å1.40ÅAromatic
C12N1sing1.47Å1.45Å
C15C14doub1.39Å1.38ÅAromatic
C13C14sing1.38Å1.39ÅAromatic
C13N2sing1.40Å1.42Å
N2Ssing1.66Å1.63Å
N1C11sing1.35Å1.33Å
O4Sdoub1.42Å1.43Å
SO3doub1.42Å1.43Å
SC3sing1.76Å1.66Å
C11O2doub1.21Å1.23Å
C11C8sing1.51Å1.51Å
C6C7sing1.53Å1.52Å
C6Nsing1.47Å1.47Å
C7C8sing1.53Å1.53Å
C3Osing1.34Å1.37ÅAromatic
C3C2doub1.35Å1.35ÅAromatic
C8C9sing1.53Å1.53Å
OC4sing1.35Å1.38ÅAromatic
NC10sing1.47Å1.47Å
NC5sing1.35Å1.34Å
C2C1sing1.40Å1.39ÅAromatic
C10C9sing1.53Å1.52Å
C4C5sing1.47Å1.48Å
C4C1doub1.37Å1.35ÅAromatic
C5O1doub1.22Å1.22Å
C1Csing1.51Å1.50Å
C2H1sing1.08Å1.08Å
C7H2sing1.09Å1.10Å
C7H3sing1.09Å1.10Å
C8H4sing1.09Å1.10Å
C9H5sing1.09Å1.10Å
C9H6sing1.09Å1.10Å
C10H7sing1.09Å1.10Å
C10H8sing1.09Å1.10Å
C12H9sing1.09Å1.10Å
C12H10sing1.09Å1.10Å
C12H11sing1.09Å1.10Å
C14H12sing1.08Å1.08Å
C15H13sing1.08Å1.08Å
C19H14sing1.08Å1.08Å
CH15sing1.09Å1.10Å
CH16sing1.09Å1.10Å
CH17sing1.09Å1.10Å
C6H18sing1.09Å1.10Å
C6H19sing1.09Å1.10Å
N1H20sing0.97Å1.00Å
N2H21sing0.97Å1.00Å
N3H22sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CLC20C19126.1°126.5°
CLC20C17126.8°126.5°
C19C20C17107.0°107.0°
C20C19N3109.9°109.9°
C20C19H14125.1°125.1°
C20C17C16136.2°133.9°
C20C17C18106.3°106.1°
C19N3C18109.0°109.9°
N3C19H14125.1°125.1°
C19N3H22125.5°125.1°
CL1C16C17120.0°120.1°
CL1C16C15118.5°120.1°
C16C17C18117.5°120.0°
C17C16C15121.5°119.7°
C17C18N3107.8°107.2°
C17C18C13121.9°119.4°
N3C18C13130.3°133.4°
C18N3H22125.5°125.1°
C16C15C14120.2°120.4°
C16C15H13119.9°119.8°
C18C13C14118.1°119.8°
C18C13N2120.4°120.1°
C12N1C11122.2°120.0°
N1C12H9109.5°109.4°
N1C12H10109.5°109.5°
N1C12H11109.5°109.4°
C12N1H20118.9°120.0°
C15C14C13120.8°120.6°
C15C14H12119.6°119.7°
C14C15H13119.9°119.8°
C14C13N2121.5°120.1°
C13C14H12119.6°119.7°
C13N2S123.0°120.0°
C13N2H21106.0°120.0°
N2SO4107.4°106.4°
N2SO3107.2°106.4°
N2SC3103.0°107.2°
SN2H21106.0°120.0°
N1C11O2123.0°120.0°
N1C11C8115.2°120.0°
C11N1H20118.9°120.0°
O4SO3120.0°123.1°
O4SC3110.5°106.4°
O3SC3107.3°106.4°
SC3O115.5°125.6°
SC3C2134.1°125.7°
O2C11C8121.8°120.1°
C11C8C7110.6°109.4°
C11C8C9111.2°109.5°
C11C8H4108.7°109.5°
C7C6N110.7°108.8°
C6C7C8109.8°109.3°
C6C7H2109.4°109.5°
C6C7H3109.4°109.5°
C7C6H18109.2°109.6°
C7C6H19109.2°109.6°
C6NC10112.8°118.7°
C6NC5123.5°120.6°
NC6H18109.2°109.6°
NC6H19109.1°109.6°
C7C8C9109.5°109.6°
C8C7H2109.4°109.5°
C8C7H3109.4°109.5°
C7C8H4108.4°109.4°
OC3C2110.4°108.7°
C3OC4104.7°109.4°
C3C2C1107.6°107.2°
C3C2H1126.2°126.4°
C8C9C10110.1°109.3°
C9C8H4108.4°109.5°
C8C9H5109.3°109.5°
C8C9H6109.3°109.4°
OC4C5116.7°126.0°
OC4C1111.3°108.0°
C10NC5123.7°120.7°
NC10C9110.9°108.8°
NC10H7109.1°109.6°
NC10H8109.1°109.7°
NC5C4117.9°120.0°
NC5O1122.6°120.0°
C2C1C4106.0°106.7°
C2C1C124.5°126.7°
C1C2H1126.2°126.4°
C10C9H5109.3°109.5°
C10C9H6109.3°109.5°
C9C10H7109.1°109.6°
C9C10H8109.1°109.6°
C5C4C1132.0°126.0°
C4C5O1119.5°120.0°
C4C1C129.5°126.6°
C1CH15109.5°109.5°
C1CH16109.4°109.5°
C1CH17109.5°109.5°
H2C7H3109.5°109.5°
H5C9H6109.5°109.5°
H7C10H8109.5°109.6°
H9C12H10109.4°109.5°
H9C12H11109.5°109.5°
H10C12H11109.4°109.6°
H15CH16109.5°109.4°
H15CH17109.5°109.4°
H16CH17109.5°109.5°
H18C6H19109.5°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CLC20C19C17179.9°180.0°
CLC20C19N3180.0°180.0°
CLC20C17C160.1°0.3°
CLC20C17C18180.0°180.0°
CLC20C19H140.0°0.0°
C20C19N3H14180.0°180.0°
C19C20C17C16180.0°179.8°
C19C20C17C180.1°0.1°
C20C19N3C180.1°0.0°
C20C19N3H22179.9°180.0°
C17C20C19N30.1°0.1°
C20C17C16CL10.1°0.1°
C20C17C16C18179.9°179.7°
C20C17C18N30.0°0.0°
C20C17C16C15180.0°179.9°
C20C17C18C13180.0°179.7°
C17C20C19H14179.9°180.0°
C19N3C18C170.0°0.0°
C19N3C18H22180.0°179.9°
C19N3C18C13179.9°179.6°
CL1C16C17C15179.9°180.0°
CL1C16C17C18180.0°179.8°
CL1C16C15C14180.0°179.9°
CL1C16C15H130.0°0.0°
C16C17C18N3180.0°179.8°
C16C17C18C130.1°0.5°
C17C16C15C140.1°0.1°
C17C16C15H13179.9°180.0°
C17C18N3C13179.9°179.6°
C18C17C16C150.1°0.3°
C17C18C13C140.1°0.5°
C17C18C13N2179.9°179.7°
C17C18N3H22180.0°179.9°
N3C18C13C14180.0°179.9°
N3C18C13N20.2°0.1°
C18N3C19H14179.9°180.0°
C16C15C14H13180.0°179.9°
C16C15C14C130.1°0.1°
C16C15C14H12179.9°179.9°
C18C13C14C150.1°0.2°
C18C13C14N2179.8°179.8°
C18C13N2S172.7°144.7°
C18C13C14H12179.9°179.8°
C18C13N2H2150.9°35.3°
C13C18N3H220.1°0.3°
C12N1C11H20180.0°180.0°
C12N1C11O20.8°0.0°
C12N1C11C8179.2°180.0°
N1C12H9H10120.0°119.9°
N1C12H9H11120.1°119.9°
N1C12H10H11120.0°120.0°
C15C14C13H12180.0°180.0°
C15C14C13N2179.8°180.0°
C14C13N2S7.1°35.5°
C13C14C15H13179.9°180.0°
C14C13N2H21128.9°144.5°
C13N2SH21121.9°179.9°
C13N2SO442.9°173.9°
C13N2SO3173.1°53.1°
C13N2SC373.8°60.4°
N2C13C14H120.1°0.0°
N2SO4O3122.7°123.0°
N2SO4C3111.7°114.1°
N2SO3C3110.1°114.1°
N2SC3O14.2°90.0°
N2SC3C2165.5°89.7°
N1C11O2C8179.9°180.0°
N1C11C8C768.1°180.0°
N1C11C8C9170.0°59.9°
N1C11C8H450.8°60.1°
C11N1C12H9180.0°60.0°
C11N1C12H1060.0°59.9°
C11N1C12H1160.0°180.0°
O4SO3C3127.2°122.9°
O4SC3O128.6°156.4°
O4SC3C251.1°23.8°
O4SN2H2179.0°6.1°
O3SC3O98.8°23.5°
O3SC3C281.5°156.7°
O3SN2H2151.3°126.8°
SC3OC2179.8°179.8°
SC3OC4179.9°180.0°
SC3C2C1179.9°179.8°
SC3C2H10.1°0.2°
C3SN2H21164.3°119.7°
O2C11C8C7111.8°0.0°
O2C11C8C910.1°120.0°
O2C11C8H4129.3°120.0°
O2C11N1H20179.2°180.0°
C11C8C7C665.8°178.6°
C11C8C7C9122.9°120.0°
C11C8C7H4119.1°119.9°
C11C8C9H4119.4°120.0°
C11C8C9C1066.1°178.6°
C11C8C7H254.2°58.6°
C11C8C7H3174.1°61.4°
C11C8C9H554.1°61.4°
C11C8C9H6173.9°58.6°
C8C11N1H200.8°0.0°
C7C6NH18120.2°119.8°
C7C6NH19120.2°119.8°
C6C7C8H2120.1°120.0°
C6C7C8H3120.1°119.9°
C6C7C8C957.0°61.3°
C7C6NC1057.9°53.6°
C7C6NC5122.8°126.4°
C6C7H2H3119.8°120.1°
C6C7C8H4175.1°58.7°
C7C6H18H19119.5°120.3°
NC6C7C857.3°54.6°
C6NC10C5179.4°180.0°
C6NC10C957.2°53.6°
C6NC5C474.6°6.1°
C6NC5O1105.6°173.9°
NC6C7H2177.3°174.6°
NC6C7H362.8°65.3°
C6NC10H7177.5°173.4°
C6NC10H863.0°66.2°
NC6H18H19119.4°120.4°
C7C8C9H4118.1°120.0°
C7C8C9C1056.5°61.4°
C8C7H2H3119.8°120.1°
C7C8C9H5176.6°58.6°
C7C8C9H663.6°178.6°
C8C7C6H18177.5°65.2°
C8C7C6H1962.9°174.4°
OC3C2C10.1°0.0°
C3OC4C5179.9°180.0°
C3OC4C10.1°0.4°
OC3C2H1179.9°180.0°
C2C3OC40.1°0.2°
C3C2C1H1180.0°180.0°
C3C2C1C40.1°0.2°
C3C2C1C179.9°180.0°
C8C9C10N56.1°54.7°
C8C9C10H5120.1°120.0°
C8C9C10H6120.1°119.9°
C9C8C7H2177.1°178.7°
C9C8C7H363.0°58.6°
C8C9H5H6119.7°120.0°
C8C9C10H7176.3°174.4°
C8C9C10H864.1°65.2°
OC4C5N2.5°7.3°
OC4C1C20.0°0.4°
OC4C5C1179.9°179.6°
OC4C5O1177.6°172.7°
OC4C1C180.0°179.8°
NC10C9H7120.2°119.8°
NC10C9H8120.2°119.9°
C10NC5C4104.7°174.0°
C10NC5O175.1°6.1°
NC10C9H5176.2°65.3°
NC10C9H664.0°174.6°
NC10H7H8119.3°120.4°
C10NC6H18178.1°66.1°
C10NC6H1962.3°173.4°
C5NC10C9123.4°126.4°
NC5C4O1179.9°180.0°
NC5C4C1177.4°172.2°
C5NC10H73.2°6.6°
C5NC10H8116.4°113.8°
C5NC6H182.6°113.8°
C5NC6H19117.0°6.6°
C2C1C4C5179.9°180.0°
C2C1C4C180.0°179.8°
C2C1CH1590.0°90.0°
C2C1CH16150.0°150.0°
C2C1CH1730.0°30.0°
C10C9C8H4174.5°58.6°
C10C9H5H6119.7°120.1°
C9C10H7H8119.3°120.3°
C5C4C1C0.0°0.2°
C1C4C5O12.4°7.8°
C4C1C2H1179.9°179.8°
C4C1CH1590.0°89.8°
C4C1CH1630.0°30.2°
C4C1CH17150.0°150.2°
CC1C2H10.1°0.0°
C1CH15H16120.0°120.0°
C1CH15H17120.0°120.0°
C1CH16H17120.0°120.0°
H2C7C8H464.8°61.3°
H2C7C6H1862.5°54.8°
H2C7C6H1957.2°65.6°
H3C7C8H455.1°178.6°
H3C7C6H1857.4°174.9°
H3C7C6H19177.1°54.5°
H4C8C9H565.3°178.6°
H4C8C9H654.5°61.3°
H5C9C10H763.6°54.4°
H5C9C10H856.0°174.8°
H6C9C10H756.2°65.7°
H6C9C10H8175.8°54.7°
H9C12H10H11119.9°120.1°
H9C12N1H200.0°120.0°
H10C12N1H20120.0°120.0°
H11C12N1H20120.0°0.0°
H12C14C15H130.1°0.0°
H14C19N3H220.1°0.1°
H15CH16H17120.0°120.0°

249697

PDB entries from 2026-02-25

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