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A1IIY

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CL2C10sing1.74Å1.73Å
C10C11doub1.38Å1.38ÅAromatic
C10C9sing1.39Å1.39ÅAromatic
C11C12sing1.38Å1.38ÅAromatic
CL1C9sing1.74Å1.73Å
O3C18doub1.22Å1.23Å
C9C8doub1.38Å1.38ÅAromatic
C12C7doub1.40Å1.39ÅAromatic
C18N7sing1.35Å1.36Å
C18N6sing1.35Å1.34Å
C8C7sing1.40Å1.39ÅAromatic
C7C6sing1.48Å1.46Å
N6C15sing1.47Å1.46Å
N6C16sing1.47Å1.46Å
C15C14sing1.53Å1.51Å
C6N3doub1.31Å1.29ÅAromatic
C6O2sing1.35Å1.37ÅAromatic
N3N4sing1.29Å1.41ÅAromatic
O2C5sing1.34Å1.36ÅAromatic
C16C17sing1.53Å1.51Å
C5N4doub1.30Å1.28ÅAromatic
C5C4sing1.51Å1.49Å
C14N5sing1.47Å1.47Å
C4N2sing1.46Å1.46Å
C17N5sing1.47Å1.46Å
N5C13sing1.38Å1.38Å
N2C13sing1.36Å1.38ÅAromatic
N2C3sing1.39Å1.39ÅAromatic
C13N10doub1.32Å1.34ÅAromatic
O1C2doub1.22Å1.23Å
C3C2sing1.41Å1.42Å
C3C29doub1.39Å1.37ÅAromatic
C2N1sing1.35Å1.41Å
N10C29sing1.33Å1.36ÅAromatic
C29N11sing1.39Å1.37Å
N1C1sing1.46Å1.47Å
N1C31sing1.34Å1.40Å
N11C31sing1.35Å1.37Å
N11C30sing1.47Å1.46Å
C31O4doub1.22Å1.22Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C11H4sing1.08Å1.08Å
C12H5sing1.08Å1.08Å
C14H6sing1.09Å1.10Å
C14H7sing1.09Å1.10Å
C15H8sing1.09Å1.10Å
C15H9sing1.09Å1.10Å
C16H10sing1.09Å1.10Å
C16H11sing1.09Å1.10Å
C17H12sing1.09Å1.10Å
C17H13sing1.09Å1.10Å
C30H14sing1.09Å1.10Å
C30H15sing1.09Å1.10Å
C30H16sing1.09Å1.10Å
C4H17sing1.09Å1.10Å
C4H18sing1.09Å1.10Å
C8H19sing1.08Å1.08Å
N7H20sing0.97Å1.00Å
N7H21sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CL2C10C11119.1°119.9°
CL2C10C9121.0°119.9°
C11C10C9119.9°120.2°
C10C11C12119.7°120.2°
C10C11H4120.2°119.9°
C10C9CL1120.7°119.9°
C10C9C8120.4°120.1°
C11C12C7120.9°119.9°
C12C11H4120.1°119.9°
C11C12H5119.6°120.1°
CL1C9C8118.9°120.0°
O3C18N7120.6°120.0°
O3C18N6120.9°120.0°
C9C8C7120.1°119.9°
C9C8H19120.0°120.1°
C12C7C8119.1°119.7°
C12C7C6120.4°120.1°
C7C12H5119.6°120.0°
N7C18N6118.5°120.1°
C18N7H20120.0°119.9°
C18N7H21120.0°120.1°
C18N6C15123.3°120.9°
C18N6C16123.9°120.8°
C8C7C6120.5°120.2°
C7C8H19119.9°120.0°
C7C6N3128.9°126.4°
C7C6O2119.3°126.4°
C15N6C16112.8°118.2°
N6C15C14109.9°108.5°
N6C15H8109.3°109.6°
N6C15H9109.4°109.8°
N6C16C17110.1°108.5°
N6C16H10109.3°109.6°
N6C16H11109.3°109.8°
C15C14N5110.3°109.3°
C15C14H6109.3°109.5°
C15C14H7109.2°109.6°
C14C15H8109.4°109.6°
C14C15H9109.4°109.6°
N3C6O2111.7°107.2°
C6N3N4106.0°109.3°
C6O2C5103.7°106.4°
N3N4C5107.1°109.5°
O2C5N4111.4°107.6°
O2C5C4120.9°126.2°
C16C17N5110.3°109.4°
C17C16H10109.3°109.6°
C17C16H11109.3°109.7°
C16C17H12109.2°109.5°
C16C17H13109.3°109.5°
N4C5C4127.7°126.1°
C5C4N2113.2°109.5°
C5C4H17108.6°109.4°
C5C4H18108.5°109.4°
C14N5C17113.3°111.2°
C14N5C13123.3°111.0°
N5C14H6109.2°109.4°
N5C14H7109.3°109.5°
C4N2C13128.7°126.6°
C4N2C3125.7°126.6°
N2C4H17108.5°109.5°
N2C4H18108.5°109.5°
C17N5C13123.4°111.0°
N5C17H12109.2°109.5°
N5C17H13109.3°109.5°
N5C13N2122.6°125.3°
N5C13N10125.5°125.3°
C13N2C3105.5°106.7°
N2C13N10111.9°109.4°
N2C3C2131.1°134.4°
N2C3C29106.0°106.4°
C13N10C29104.8°110.0°
O1C2C3127.1°120.4°
O1C2N1121.1°120.4°
C2C3C29122.9°119.3°
C3C2N1111.9°119.3°
C3C29N10111.8°107.5°
C3C29N11121.8°118.8°
C2N1C1117.3°119.5°
C2N1C31126.6°121.0°
N10C29N11126.4°133.7°
C29N11C31119.5°120.1°
C29N11C30121.0°120.0°
C1N1C31116.1°119.6°
N1C1H1109.5°109.5°
N1C1H2109.5°109.4°
N1C1H3109.4°109.5°
N1C31N11117.3°121.6°
N1C31O4121.1°119.1°
C31N11C30119.5°119.9°
N11C31O4121.5°119.2°
N11C30H14109.5°109.5°
N11C30H15109.5°109.5°
N11C30H16109.5°109.5°
H1C1H2109.5°109.5°
H1C1H3109.5°109.5°
H2C1H3109.5°109.5°
H6C14H7109.5°109.5°
H8C15H9109.4°109.6°
H10C16H11109.5°109.6°
H12C17H13109.5°109.5°
H14C30H15109.5°109.5°
H14C30H16109.5°109.4°
H15C30H16109.5°109.4°
H17C4H18109.5°109.5°
H20N7H21120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CL2C10C11C9180.0°179.7°
CL2C10C11C12179.9°179.7°
CL2C10C9CL10.0°0.3°
CL2C10C9C8180.0°179.7°
CL2C10C11H40.1°0.3°
C10C11C12H4180.0°179.9°
C11C10C9CL1180.0°180.0°
C11C10C9C80.0°0.0°
C10C11C12C70.0°0.0°
C10C11C12H5180.0°179.9°
C9C10C11C120.1°0.0°
C10C9CL1C8180.0°180.0°
C10C9C8C70.2°0.0°
C9C10C11H4179.9°180.0°
C10C9C8H19179.8°180.0°
C11C12C7H5180.0°179.9°
C11C12C7C80.2°0.0°
C11C12C7C6179.8°179.9°
CL1C9C8C7179.8°180.0°
CL1C9C8H190.2°0.0°
O3C18N7N6179.5°180.0°
O3C18N6C153.1°5.3°
O3C18N6C16177.5°174.7°
O3C18N7H200.0°174.8°
O3C18N7H21180.0°5.2°
C9C8C7C120.3°0.0°
C9C8C7H19180.0°180.0°
C9C8C7C6179.9°180.0°
C12C7C8C6179.6°179.9°
C12C7C6N36.3°0.0°
C12C7C6O2174.0°179.5°
C7C12C11H4180.0°180.0°
C12C7C8H19179.7°180.0°
N7C18N6C15176.4°174.7°
N7C18N6C163.0°5.3°
C18N7H20H21180.0°179.9°
C18N6C15C16179.5°180.0°
C18N6C15C14122.0°128.8°
C18N6C16C17122.1°128.8°
C18N6C15H8118.0°9.1°
C18N6C15H91.9°111.4°
C18N6C16H102.1°111.5°
C18N6C16H11117.8°9.0°
N6C18N7H20179.5°5.1°
N6C18N7H210.5°174.8°
C8C7C6N3174.2°180.0°
C8C7C6O25.6°0.4°
C8C7C12H5179.8°179.9°
C7C6N3O2179.7°179.6°
C7C6N3N4179.8°180.0°
C7C6O2C5179.7°179.9°
C6C7C12H50.2°0.1°
C6C7C8H190.1°0.0°
N6C15C14H8120.1°119.7°
N6C15C14H9120.1°120.0°
C15N6C16C1757.3°51.2°
N6C15C14N554.8°53.9°
N6C15C14H6174.9°173.8°
N6C15C14H765.3°66.1°
N6C15H8H9119.8°120.6°
C15N6C16H10177.4°68.5°
C15N6C16H1162.8°171.1°
C16N6C15C1457.5°51.2°
N6C16C17H10120.1°119.7°
N6C16C17H11120.1°119.9°
N6C16C17N554.4°53.8°
C16N6C15H862.6°170.9°
C16N6C15H9177.6°68.6°
N6C16H10H11119.7°120.6°
N6C16C17H1265.7°66.2°
N6C16C17H13174.6°173.8°
C15C14N5H6120.1°119.9°
C15C14N5H7120.1°120.0°
C15C14N5C1755.3°63.1°
C15C14N5C13124.4°172.8°
C15C14H6H7119.6°120.1°
C14C15H8H9119.8°120.4°
N3C6O2C50.1°0.2°
C6N3N4C50.3°0.4°
O2C6N3N40.1°0.4°
C6O2C5N40.3°0.0°
C6O2C5C4179.5°179.8°
N3N4C5O20.3°0.2°
N3N4C5C4179.5°180.0°
O2C5N4C4179.2°179.8°
O2C5C4N2140.8°90.2°
O2C5C4H1798.6°29.8°
O2C5C4H1820.3°149.8°
C16C17N5C1455.0°63.1°
C16C17N5H12120.1°119.9°
C16C17N5H13120.2°120.0°
C16C17N5C13124.7°172.8°
C17C16H10H11119.7°120.4°
C16C17H12H13119.6°120.0°
N4C5C4N240.0°90.0°
N4C5C4H1780.5°150.0°
N4C5C4H18160.6°30.1°
C5C4N2H17120.6°119.9°
C5C4N2H18120.5°120.0°
C5C4N2C13108.6°85.1°
C5C4N2C374.5°95.0°
C5C4H17H18118.3°119.9°
C14N5C17C13179.7°124.1°
C14N5C13N270.3°154.9°
C14N5C13N10107.7°25.3°
N5C14H6H7119.6°120.1°
N5C14C15H865.2°173.6°
N5C14C15H9174.9°66.1°
C14N5C17H1265.1°56.8°
C14N5C17H13175.2°176.9°
C4N2C13N52.9°0.2°
C4N2C13C3177.4°179.9°
C4N2C13N10178.9°180.0°
C4N2C3C22.0°0.1°
C4N2C3C29178.8°180.0°
N2C4H17H18118.3°120.1°
C17N5C13N2109.4°80.9°
C17N5C13N1072.6°98.9°
C17N5C14H6175.4°177.0°
C17N5C14H764.8°56.9°
N5C17C16H10174.5°65.9°
N5C17C16H1165.7°173.8°
N5C17H12H13119.6°120.1°
N5C13N2N10178.2°179.8°
N5C13N2C3179.7°179.8°
N5C13N10C29179.2°179.8°
C13N5C14H64.3°52.9°
C13N5C14H7115.5°67.2°
C13N5C17H12115.2°67.3°
C13N5C17H134.5°52.8°
C13N2C3C2179.5°180.0°
C13N2C3C291.2°0.0°
N2C13N10C291.0°0.0°
C13N2C4H1712.0°34.9°
C13N2C4H18130.9°155.0°
C3N2C13N101.4°0.0°
N2C3C2O10.7°0.1°
N2C3C2C29179.2°179.9°
N2C3C2N1179.2°180.0°
N2C3C29N100.6°0.0°
N2C3C29N11179.4°180.0°
C3N2C4H17165.0°145.0°
C3N2C4H1846.1°25.0°
C13N10C29C30.2°0.0°
C13N10C29N11179.7°180.0°
O1C2C3N1179.9°179.9°
O1C2C3C29179.9°180.0°
O1C2N1C10.1°0.1°
O1C2N1C31180.0°180.0°
C2C3C29N10180.0°180.0°
C2C3C29N110.1°0.0°
C3C2N1C1180.0°180.0°
C3C2N1C310.1°0.1°
C29C3C2N10.0°0.1°
C3C29N10N11179.9°180.0°
C3C29N11C310.0°0.0°
C3C29N11C30179.9°180.0°
C2N1C1C31180.0°180.0°
C2N1C31N110.1°0.0°
C2N1C31O4180.0°180.0°
C2N1C1H1180.0°90.0°
C2N1C1H260.0°150.0°
C2N1C1H360.0°30.0°
N10C29N11C31179.9°180.0°
N10C29N11C300.0°0.0°
C29N11C31N10.1°0.0°
C29N11C31C30179.9°180.0°
C29N11C31O4180.0°180.0°
C29N11C30H14180.0°90.0°
C29N11C30H1560.0°150.0°
C29N11C30H1660.0°30.0°
C1N1C31N11179.9°180.0°
C1N1C31O40.0°0.0°
N1C1H1H2120.0°120.0°
N1C1H1H3120.0°120.0°
N1C1H2H3120.0°120.0°
N1C31N11O4179.9°180.0°
N1C31N11C30180.0°180.0°
C31N1C1H10.0°90.0°
C31N1C1H2119.9°30.0°
C31N1C1H3120.1°150.0°
C31N11C30H140.1°90.0°
C31N11C30H15120.1°30.0°
C31N11C30H16119.9°150.0°
C30N11C31O40.1°0.0°
N11C30H14H15120.0°120.1°
N11C30H14H16120.0°120.0°
N11C30H15H16120.0°120.0°
H1C1H2H3120.0°120.0°
H4C11C12H50.0°0.1°
H6C14C15H854.9°66.6°
H6C14C15H965.0°53.8°
H7C14C15H8174.6°53.6°
H7C14C15H954.8°173.9°
H10C16C17H1254.4°174.1°
H10C16C17H1365.4°54.1°
H11C16C17H12174.2°53.8°
H11C16C17H1354.5°66.2°
H14C30H15H16120.0°120.0°

251801

PDB entries from 2026-04-08

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