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Y8H

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CL2C20sing1.74Å1.74Å
C20C19doub1.38Å1.38ÅAromatic
C20C21sing1.38Å1.38ÅAromatic
C19C18sing1.38Å1.38ÅAromatic
C21C16doub1.39Å1.39ÅAromatic
C18CL1sing1.74Å1.74Å
C18C17doub1.38Å1.38ÅAromatic
C16C17sing1.39Å1.39ÅAromatic
C16N6sing1.40Å1.36Å
N6C15sing1.46Å1.44Å
C15C14sing1.51Å1.53Å
O1C14doub1.21Å1.23Å
C14N5sing1.35Å1.35Å
N5C12sing1.48Å1.47Å
N5C13sing1.45Å1.47Å
C12C11sing1.54Å1.52Å
C11C10sing1.51Å1.51Å
C6C5doub1.34Å1.36ÅAromatic
C6N3sing1.37Å1.38ÅAromatic
C5C2sing1.46Å1.43ÅAromatic
C13C8sing1.55Å1.52Å
C10C9sing1.53Å1.51Å
N3C3sing1.37Å1.36ÅAromatic
C8C9sing1.47Å1.53Å
C8N4sing1.47Å1.48Å
C2C3doub1.41Å1.42ÅAromatic
C2C1sing1.40Å1.42ÅAromatic
C3N1sing1.33Å1.34ÅAromatic
N4C1sing1.38Å1.35Å
N4C7sing1.47Å1.45Å
C1N2doub1.33Å1.35ÅAromatic
N1C4doub1.32Å1.33ÅAromatic
N2C4sing1.32Å1.34ÅAromatic
N3H1sing0.97Å1.00Å
C4H2sing1.08Å1.08Å
C5H3sing1.08Å1.08Å
C6H4sing1.08Å1.08Å
C7H5sing1.09Å1.10Å
C7H6sing1.09Å1.10Å
C7H7sing1.09Å1.10Å
C8H8sing1.09Å1.10Å
C10H9sing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C13H11sing1.09Å1.10Å
C13H12sing1.09Å1.10Å
C15H13sing1.09Å1.10Å
C15H14sing1.09Å1.10Å
C17H15sing1.08Å1.08Å
C21H16sing1.08Å1.08Å
C11H17sing1.09Å1.10Å
C11H18sing1.09Å1.10Å
C12H19sing1.09Å1.10Å
C12H20sing1.09Å1.10Å
C19H21sing1.08Å1.08Å
C9H22sing1.09Å1.10Å
C9H23sing1.09Å1.10Å
N6H24sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CL2C20C19118.6°120.0°
CL2C20C21118.7°120.0°
C19C20C21122.7°120.1°
C20C19C18117.3°120.1°
C20C19H21121.4°119.9°
C20C21C16118.5°120.0°
C20C21H16120.8°120.0°
C19C18CL1118.3°120.0°
C19C18C17122.5°120.0°
C18C19H21121.3°119.9°
C21C16C17120.7°119.9°
C21C16N6118.9°120.1°
C16C21H16120.7°120.0°
CL1C18C17119.2°120.0°
C18C17C16118.3°119.9°
C18C17H15120.8°120.0°
C17C16N6120.4°120.0°
C16C17H15120.9°120.0°
C16N6C15123.4°120.0°
C16N6H24105.9°120.0°
N6C15C14113.3°109.5°
N6C15H13108.5°109.4°
N6C15H14108.5°109.5°
C15N6H24105.9°120.0°
C15C14O1120.0°120.0°
C15C14N5117.2°119.9°
C14C15H13108.5°109.5°
C14C15H14108.5°109.5°
O1C14N5122.7°120.1°
C14N5C12122.8°118.7°
C14N5C13121.1°118.6°
C12N5C13116.1°122.7°
N5C12C11111.9°112.1°
N5C12H19108.9°109.0°
N5C12H20108.8°108.8°
N5C13C8109.7°109.6°
N5C13H11109.4°109.5°
N5C13H12109.4°109.4°
C12C11C10112.4°110.2°
C12C11H17108.7°109.4°
C12C11H18108.7°109.3°
C11C12H19108.9°109.0°
C11C12H20108.9°109.0°
C11C10C9114.0°109.4°
C11C10H9108.4°109.5°
C11C10H10108.3°109.5°
C10C11H17108.7°109.3°
C10C11H18108.7°109.3°
C5C6N3110.1°109.8°
C6C5C2107.1°106.8°
C6C5H3126.5°126.6°
C5C6H4125.0°125.1°
C6N3C3108.3°110.0°
C6N3H1125.9°125.0°
N3C6H4125.0°125.1°
C5C2C3105.9°106.2°
C5C2C1137.8°135.1°
C2C5H3126.5°126.5°
C13C8C9110.9°110.3°
C13C8N4109.7°109.3°
C13C8H8108.6°109.2°
C8C13H11109.4°109.5°
C8C13H12109.4°109.5°
C10C9C8116.5°114.3°
C9C10H9108.3°109.5°
C9C10H10108.3°109.5°
C10C9H22107.7°108.5°
C10C9H23107.7°108.5°
N3C3C2108.6°107.1°
N3C3N1126.3°134.3°
C3N3H1125.8°125.0°
C9C8N4110.1°109.3°
C9C8H8108.4°109.3°
C8C9H22107.7°108.5°
C8C9H23107.7°108.6°
C8N4C1123.3°111.0°
C8N4C7114.9°111.0°
N4C8H8109.1°109.3°
C3C2C1116.3°118.6°
C2C3N1125.0°118.6°
C2C1N4126.1°120.8°
C2C1N2118.5°118.3°
C3N1C4112.7°120.7°
C1N4C7121.7°111.0°
N4C1N2115.4°120.8°
N4C7H5109.5°109.4°
N4C7H6109.5°109.5°
N4C7H7109.5°109.5°
C1N2C4118.7°121.0°
N1C4N2128.8°122.7°
N1C4H2115.6°118.6°
N2C4H2115.6°118.7°
H5C7H6109.4°109.5°
H5C7H7109.4°109.5°
H6C7H7109.5°109.5°
H9C10H10109.5°109.5°
H11C13H12109.5°109.4°
H13C15H14109.5°109.5°
H17C11H18109.5°109.3°
H19C12H20109.5°108.9°
H22C9H23109.4°108.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CL2C20C19C21179.0°179.7°
CL2C20C19C18179.9°180.0°
CL2C20C21C16179.6°180.0°
CL2C20C21H160.4°0.2°
CL2C20C19H210.1°0.3°
C20C19C18H21180.0°179.7°
C19C20C21C160.6°0.3°
C20C19C18CL1179.9°180.0°
C20C19C18C170.7°0.0°
C19C20C21H16179.4°179.9°
C21C20C19C181.1°0.3°
C20C21C16H16180.0°179.8°
C20C21C16C170.4°0.0°
C20C21C16N6179.2°180.0°
C21C20C19H21178.9°180.0°
C19C18CL1C17179.4°180.0°
C19C18C17C160.3°0.3°
C19C18C17H15179.7°179.9°
C21C16C17C180.8°0.3°
C21C16C17N6178.8°180.0°
C21C16N6C15174.0°180.0°
C21C16C17H15179.2°179.9°
C21C16N6H2464.1°0.0°
CL1C18C17C16179.1°179.7°
CL1C18C17H150.9°0.0°
CL1C18C19H210.1°0.3°
C18C17C16H15180.0°179.7°
C18C17C16N6179.6°179.7°
C17C18C19H21179.3°179.7°
C17C16N6C154.8°0.0°
C17C16C21H16179.6°179.8°
C17C16N6H24117.2°180.0°
C16N6C15H24121.9°180.0°
C16N6C15C1481.2°180.0°
C16N6C15H13158.2°60.0°
C16N6C15H1439.3°60.0°
N6C16C17H150.4°0.1°
N6C16C21H160.8°0.2°
N6C15C14H13120.6°119.9°
N6C15C14H14120.6°120.0°
N6C15C14O17.4°0.0°
N6C15C14N5173.1°180.0°
N6C15H13H14118.2°120.0°
C15C14O1N5179.4°180.0°
C15C14N5C129.7°0.0°
C15C14N5C13171.0°180.0°
C14C15H13H14118.3°120.0°
C14C15N6H2440.7°0.0°
O1C14N5C12169.7°180.0°
O1C14N5C139.5°0.0°
O1C14C15H13113.1°120.0°
O1C14C15H14128.0°120.0°
C14N5C12C13179.3°179.9°
C14N5C12C1182.6°137.8°
C14N5C13C893.8°89.3°
C14N5C13H11146.2°30.8°
C14N5C13H1226.2°150.7°
N5C14C15H1366.3°60.0°
N5C14C15H1452.6°60.0°
C14N5C12H1937.8°101.4°
C14N5C12H20157.0°17.2°
N5C12C11H19120.4°120.8°
N5C12C11H20120.3°120.5°
N5C12C11C1028.9°40.5°
C12N5C13C885.5°90.8°
C12N5C13H1134.5°149.2°
C12N5C13H12154.5°29.2°
N5C12C11H1791.6°79.7°
N5C12C11H18149.3°160.6°
N5C12H19H20118.9°118.6°
C13N5C12C1196.7°42.2°
N5C13C8H11120.0°120.1°
N5C13C8H12120.1°120.0°
N5C13C8C951.9°71.3°
N5C13C8N4173.8°168.5°
N5C13C8H867.1°48.9°
N5C13H11H12119.9°119.9°
C13N5C12H19142.9°78.5°
C13N5C12H2023.7°162.8°
C12C11C10H17120.4°120.2°
C12C11C10H18120.4°120.1°
C12C11C10C946.9°91.9°
C12C11C10H973.7°28.1°
C12C11C10H10167.6°148.1°
C12C11H17H18118.6°119.6°
C11C12H19H20118.9°118.8°
C11C10C9H9120.7°119.9°
C11C10C9H10120.7°120.0°
C11C10C9C892.6°85.0°
C11C10H9H10118.0°120.0°
C10C11H17H18118.7°119.7°
C10C11C12H19149.3°161.2°
C10C11C12H2091.5°80.0°
C11C10C9H22146.3°36.3°
C11C10C9H2328.4°153.8°
C5C6N3H4180.0°180.0°
C6C5C2H3180.0°179.9°
C5C6N3C30.2°0.0°
C6C5C2C30.2°0.0°
C6C5C2C1178.9°179.9°
C5C6N3H1179.8°179.9°
N3C6C5C20.0°0.0°
C6N3C3H1180.0°180.0°
C6N3C3C20.3°0.0°
C6N3C3N1178.6°179.9°
N3C6C5H3180.0°180.0°
C5C2C3N30.3°0.0°
C5C2C3C1179.0°179.9°
C5C2C3N1178.6°179.9°
C5C2C1N43.6°0.2°
C5C2C1N2178.8°179.9°
C2C5C6H4180.0°180.0°
C13C8C9C1069.0°62.8°
C13C8C9N4121.6°120.3°
C13C8C9H8119.1°120.2°
C13C8N4H8118.8°119.5°
C13C8N4C1104.3°166.6°
C13C8N4C779.5°69.5°
C8C13H11H12119.9°119.9°
C13C8C9H22170.0°58.4°
C13C8C9H2352.1°176.0°
C10C9C8H22121.0°121.2°
C10C9C8H23121.0°121.2°
C10C9C8N4169.4°176.9°
C10C9C8H850.2°57.3°
C9C10H9H10117.9°120.1°
C9C10C11H17167.3°28.3°
C9C10C11H1873.5°148.0°
C10C9H22H23116.8°117.6°
N3C3C2N1178.9°179.9°
N3C3C2C1179.3°179.9°
N3C3N1C4179.5°180.0°
C3N3C6H4179.8°180.0°
C9C8N4H8118.8°119.6°
C9C8N4C1133.3°72.5°
C9C8N4C742.8°51.4°
C8C9C10H928.0°35.0°
C8C9C10H10146.7°155.0°
C9C8C13H1168.1°168.6°
C9C8C13H12172.0°48.7°
C8C9H22H23116.8°117.7°
C8N4C1C213.2°172.4°
C8N4C1C7175.9°123.9°
C8N4C1N2164.4°7.4°
C8N4C7H5180.0°60.0°
C8N4C7H660.0°180.0°
C8N4C7H760.0°60.0°
N4C8C13H1153.7°48.4°
N4C8C13H1266.2°71.6°
N4C8C9H2248.4°61.9°
N4C8C9H2369.6°55.7°
C3C2C1N4177.8°180.0°
C3C2C1N20.2°0.1°
C2C3N1C40.7°0.0°
C2C3N3H1179.7°180.0°
C3C2C5H3179.8°180.0°
C1C2C3N10.4°0.0°
C2C1N4N2177.6°179.9°
C2C1N4C7170.8°63.6°
C2C1N2C40.5°0.0°
C1C2C5H31.1°0.2°
C3N1C4N20.5°0.1°
N1C3N3H11.4°0.0°
C3N1C4H2179.5°180.0°
N4C1N2C4178.3°179.9°
C1N4C7H53.7°176.1°
C1N4C7H6116.2°56.1°
C1N4C7H7123.8°64.0°
C1N4C8H814.5°47.1°
C7N4C1N211.5°116.5°
N4C7H5H6120.0°120.0°
N4C7H5H7120.0°120.0°
N4C7H6H7120.0°120.0°
C7N4C8H8161.7°171.0°
C1N2C4N10.1°0.0°
C1N2C4H2179.9°179.9°
N1C4N2H2180.0°179.9°
H1N3C6H40.2°0.0°
H3C5C6H40.0°0.1°
H5C7H6H7119.9°120.0°
H8C8C13H11172.9°71.1°
H8C8C13H1253.0°168.9°
H8C8C9H2270.9°178.6°
H8C8C9H23171.2°63.9°
H9C10C11H1746.7°148.3°
H9C10C11H18165.9°92.0°
H9C10C9H2293.0°156.2°
H9C10C9H23149.1°86.3°
H10C10C11H1772.0°91.7°
H10C10C11H1847.2°28.0°
H10C10C9H2225.7°83.7°
H10C10C9H2392.3°33.7°
H13C15N6H2479.9°120.0°
H14C15N6H24161.3°120.0°
H17C11C12H1928.8°41.1°
H17C11C12H20148.1°159.8°
H18C11C12H1990.3°78.6°
H18C11C12H2029.0°40.1°

225946

PDB entries from 2024-10-09

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