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YQJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C20O1sing1.43Å1.43Å
C14N4sing1.48Å1.47Å
N4C10sing1.38Å1.40Å
O1C19sing1.36Å1.38Å
C18C19doub1.37Å1.37ÅAromatic
C18C17sing1.40Å1.43ÅAromatic
C19C1sing1.40Å1.43ÅAromatic
C10C17doub1.42Å1.46ÅAromatic
C10N3sing1.33Å1.33ÅAromatic
C17C3sing1.42Å1.42ÅAromatic
N3C4doub1.33Å1.35ÅAromatic
C1Osing1.36Å1.37Å
C1C2doub1.38Å1.37ÅAromatic
OCsing1.43Å1.43Å
C3C2sing1.40Å1.42ÅAromatic
C3Ndoub1.34Å1.37ÅAromatic
C4Nsing1.32Å1.35ÅAromatic
C4N1sing1.38Å1.35Å
C6C5sing1.53Å1.54Å
C6C7sing1.53Å1.52Å
C5N1sing1.46Å1.45Å
C9N2sing1.47Å1.46Å
C7N2sing1.47Å1.47Å
N2C8sing1.47Å1.47Å
N1H1sing0.97Å1.00Å
C7H2sing1.09Å1.10Å
C7H3sing1.09Å1.10Å
C8H4sing1.09Å1.10Å
C8H5sing1.09Å1.10Å
C8H6sing1.09Å1.10Å
C9H8sing1.09Å1.10Å
C9H9sing1.09Å1.10Å
C9H10sing1.09Å1.10Å
C5H11sing1.09Å1.10Å
C5H12sing1.09Å1.10Å
C6H13sing1.09Å1.10Å
C6H14sing1.09Å1.10Å
C2H15sing1.08Å1.08Å
C20H17sing1.09Å1.10Å
C20H18sing1.09Å1.10Å
C20H19sing1.09Å1.10Å
CH20sing1.09Å1.10Å
CH21sing1.09Å1.10Å
CH22sing1.09Å1.10Å
C18H23sing1.08Å1.08Å
C14H24sing1.09Å1.10Å
C14H25sing1.09Å1.10Å
C14C13sing1.55Å55.62Å
N4C11sing1.47Å55.24Å
C11C12sing1.54Å0.00Å
C13C12sing1.55Å0.00Å
C13N5sing1.47Å0.00Å
N5C16sing1.47Å0.00Å
N5C15sing1.47Å0.00Å
C13H7sing1.09Å0.00Å
C11H16sing1.09Å0.00Å
C11H26sing1.09Å0.00Å
C12H27sing1.09Å0.00Å
C12H28sing1.09Å0.00Å
C16H29sing1.09Å0.00Å
C16H30sing1.09Å0.00Å
C16H31sing1.09Å0.00Å
C15H32sing1.09Å0.00Å
C15H33sing1.09Å0.00Å
C15H34sing1.09Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C20O1C19118.2°117.0°
O1C20H17109.5°109.5°
O1C20H18109.5°109.4°
O1C20H19109.5°109.5°
C14N4C10123.0°111.0°
N4C14H24117.4°110.4°
N4C14H25117.4°110.4°
N4C14C1374.4°104.8°
C14N4C11104.2°108.6°
N4C10C17122.4°120.8°
N4C10N3116.0°120.8°
C10N4C11109.9°111.0°
O1C19C18125.2°119.7°
O1C19C1114.7°119.7°
C19C18C17120.6°119.8°
C18C19C1120.1°120.7°
C19C18H23119.7°120.1°
C18C17C10125.8°121.9°
C18C17C3119.0°119.8°
C17C18H23119.7°120.1°
C19C1O114.5°119.6°
C19C1C2120.2°120.8°
C17C10N3121.6°118.4°
C10C17C3114.9°118.3°
C10N3C4118.2°121.4°
C17C3C2119.5°119.5°
C17C3N122.4°118.8°
N3C4N126.4°122.8°
N3C4N1116.8°118.6°
OC1C2125.1°119.6°
C1OC118.5°117.0°
C1C2C3120.6°119.5°
C1C2H15119.7°120.2°
OCH20109.5°109.4°
OCH21109.4°109.5°
OCH22109.5°109.5°
C2C3N117.8°121.7°
C3C2H15119.7°120.3°
C3NC4116.2°120.4°
NC4N1116.4°118.7°
C4N1C5125.7°120.0°
C4N1H1105.3°120.0°
C5C6C7115.4°109.5°
C6C5N1110.3°109.5°
C6C5H11109.3°109.5°
C6C5H12109.2°109.5°
C5C6H13108.0°109.5°
C5C6H14108.0°109.5°
C6C7N2114.3°109.4°
C6C7H2108.3°109.5°
C6C7H3108.2°109.5°
C7C6H13108.0°109.5°
C7C6H14108.0°109.5°
C5N1H1105.3°120.1°
N1C5H11109.2°109.5°
N1C5H12109.3°109.5°
C9N2C7110.9°110.9°
C9N2C8110.1°111.0°
N2C9H8109.5°109.5°
N2C9H9109.5°109.4°
N2C9H10109.5°109.5°
C7N2C8110.6°111.0°
N2C7H2108.2°109.5°
N2C7H3108.3°109.5°
N2C8H4109.5°109.5°
N2C8H5109.5°109.4°
N2C8H6109.5°109.4°
H2C7H3109.5°109.5°
H4C8H5109.5°109.5°
H4C8H6109.4°109.5°
H5C8H6109.5°109.5°
H8C9H9109.5°109.5°
H8C9H10109.5°109.5°
H9C9H10109.4°109.5°
H11C5H12109.5°109.4°
H13C6H14109.5°109.5°
H17C20H18109.5°109.5°
H17C20H19109.5°109.5°
H18C20H19109.5°109.5°
H20CH21109.5°109.5°
H20CH22109.5°109.5°
H21CH22109.5°109.5°
H24C14H25109.5°110.3°
H24C14C13117.4°110.4°
H25C14C13117.4°110.4°
C14C13C1290.0°101.6°
C14C13N590.0°111.0°
C14C13H790.0°111.0°
N4C11C1290.0°107.3°
N4C11H1690.0°110.0°
N4C11H2690.0°109.9°
C11C12C1390.0°103.0°
C12C11H1690.0°109.9°
C12C11H2690.0°109.9°
C11C12H2790.0°110.7°
C11C12H2890.0°110.8°
C12C13N590.0°111.0°
C12C13H790.0°111.0°
C13C12H2790.0°110.7°
C13C12H2890.0°110.7°
C13N5C1690.0°111.0°
C13N5C1590.0°111.0°
N5C13H790.0°110.9°
C16N5C1590.0°111.0°
N5C16H2990.0°109.4°
N5C16H3090.0°109.5°
N5C16H3190.0°109.4°
N5C15H3290.0°109.4°
N5C15H3390.0°109.5°
N5C15H3490.0°109.4°
H16C11H2690.0°109.9°
H27C12H2890.0°110.8°
H29C16H3090.0°109.5°
H29C16H3190.0°109.5°
H30C16H3190.0°109.4°
H32C15H3390.0°109.5°
H32C15H3490.0°109.4°
H33C15H3490.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C20O1C19C1814.3°0.0°
C20O1C19C1166.4°180.0°
O1C20H17H18120.0°120.0°
O1C20H17H19120.0°120.0°
O1C20H18H19120.0°120.0°
C14N4C10C11123.0°120.9°
C14N4C10C17154.5°179.3°
C14N4C10N323.4°0.7°
N4C14H24H25137.1°122.3°
N4C14H24C1385.8°115.4°
N4C14H25C1385.8°115.4°
C14N4C11C1290.0°1.0°
N4C14C13C1290.0°37.1°
N4C14C13N590.0°155.2°
N4C14C13H790.0°81.0°
C14N4C11H1690.0°120.4°
C14N4C11H2690.0°118.4°
N4C10C17C1812.0°0.0°
N4C10C17N3177.7°180.0°
N4C10C17C3174.1°179.7°
N4C10N3C4176.1°180.0°
C10N4C14H2412.5°27.6°
C10N4C14H25121.2°94.7°
C10N4C14C13125.6°146.4°
C10N4C11C1290.0°123.3°
C10N4C11H1690.0°117.3°
C10N4C11H2690.0°3.9°
O1C19C18C1179.3°180.0°
O1C19C18C17179.3°180.0°
O1C19C1O6.2°0.0°
O1C19C1C2178.9°179.7°
C19O1C20H17180.0°180.0°
C19O1C20H1860.0°60.1°
C19O1C20H1960.0°59.9°
O1C19C18H230.7°0.1°
C19C18C17H23180.0°179.9°
C19C18C17C10172.6°180.0°
C19C18C17C31.1°0.3°
C18C19C1O173.1°180.0°
C18C19C1C21.8°0.3°
C17C18C19C10.0°0.0°
C18C17C10C3173.9°179.7°
C18C17C10N3170.2°180.0°
C18C17C3C20.4°0.3°
C18C17C3N173.8°179.7°
C19C1OC2174.6°179.7°
C19C1OC165.8°179.7°
C19C1C2C32.4°0.3°
C19C1C2H15177.6°179.7°
C1C19C18H23180.0°180.0°
C17C10N3C41.8°0.0°
C10C17C3C2173.9°180.0°
C10C17C3N0.5°0.6°
C10C17C18H237.4°0.1°
C17C10N4C1131.5°59.8°
N3C10C17C33.6°0.3°
C10N3C4N3.7°0.0°
C10N3C4N1168.8°180.0°
N3C10N4C11146.4°120.2°
C17C3C2C11.3°0.0°
C17C3C2N173.7°179.4°
C17C3NC44.2°0.6°
C17C3C2H15178.7°180.0°
C3C17C18H23178.9°179.7°
N3C4NC36.7°0.3°
N3C4NN1172.5°180.0°
N3C4N1C52.8°179.7°
N3C4N1H1125.0°0.0°
OC1C2C3171.9°180.0°
OC1C2H158.1°0.0°
C1OCH20180.0°60.0°
C1OCH2160.0°60.0°
C1OCH2260.0°180.0°
C2C1OC19.6°0.0°
C1C2C3H15180.0°180.0°
C1C2C3N172.4°179.4°
OCH20H21120.0°120.0°
OCH20H22120.0°120.0°
OCH21H22120.0°120.0°
C2C3NC4169.3°180.0°
C3NC4N1165.8°179.7°
NC3C2H157.6°0.6°
NC4N1C5176.1°0.3°
NC4N1H161.7°180.0°
C4N1C5C687.1°179.8°
C4N1C5H1122.2°179.7°
C4N1C5H11152.7°59.7°
C4N1C5H1233.0°60.2°
C5C6C7H13120.9°120.0°
C5C6C7H14120.9°120.0°
C6C5N1H11120.2°120.0°
C6C5N1H12120.1°120.0°
C5C6C7N2149.1°180.0°
C6C5N1H1150.7°0.0°
C5C6C7H290.2°60.0°
C5C6C7H328.4°60.0°
C6C5H11H12119.6°120.0°
C5C6H13H14117.3°120.0°
C7C6C5N1141.5°180.0°
C6C7N2C9113.1°170.0°
C6C7N2H2120.7°120.0°
C6C7N2H3120.7°120.0°
C6C7N2C8124.4°66.1°
C6C7H2H3117.8°120.0°
C7C6C5H1121.4°59.9°
C7C6C5H1298.4°60.0°
C7C6H13H14117.3°120.0°
N1C5H11H12119.6°120.0°
N1C5C6H1320.6°60.0°
N1C5C6H1497.6°60.0°
C9N2C7C8122.5°123.9°
C9N2C7H27.6°50.0°
C9N2C7H3126.2°70.0°
C9N2C8H4180.0°63.9°
C9N2C8H560.0°56.1°
C9N2C8H660.0°176.1°
N2C9H8H9120.0°119.9°
N2C9H8H10120.0°120.1°
N2C9H9H10120.0°120.0°
N2C7H2H3117.8°120.0°
C7N2C8H457.0°60.0°
C7N2C8H5177.0°180.0°
C7N2C8H663.0°60.0°
C7N2C9H8180.0°60.1°
C7N2C9H960.0°180.0°
C7N2C9H1060.0°60.0°
N2C7C6H1328.3°60.0°
N2C7C6H1490.0°60.0°
C8N2C7H2114.9°173.9°
C8N2C7H33.7°53.9°
N2C8H4H5120.0°120.0°
N2C8H4H6120.0°120.0°
N2C8H5H6120.0°120.0°
C8N2C9H857.2°176.1°
C8N2C9H9177.2°56.1°
C8N2C9H1062.8°63.9°
H1N1C5H1130.5°120.0°
H1N1C5H1289.2°120.0°
H2C7C6H13149.0°180.0°
H2C7C6H1430.7°60.0°
H3C7C6H1392.4°60.0°
H3C7C6H14149.3°180.0°
H4C8H5H6120.0°120.0°
H8C9H9H10120.0°120.0°
H11C5C6H1399.5°60.1°
H11C5C6H14142.2°180.0°
H12C5C6H13140.7°NaN°
H12C5C6H1422.5°60.0°
H17C20H18H19120.0°120.0°
H20CH21H22120.0°120.0°
H24C14H25C13137.1°122.3°
H24C14N4C11113.1°94.8°
H24C14C13C1290.0°81.8°
H24C14C13N590.0°36.3°
H24C14C13H790.0°160.1°
H25C14N4C11113.2°143.0°
H25C14C13C1290.0°155.9°
H25C14C13N590.0°86.0°
H25C14C13H790.0°37.9°
C13C14N4C110.0°24.1°
C14C13C12C1190.0°35.6°
C14C13C12N590.0°118.1°
C14C13C12H790.0°118.1°
C14C13N5H790.0°123.9°
C14C13N5C1690.0°62.7°
C14C13N5C1590.0°173.3°
C14C13C12H2790.0°82.7°
C14C13C12H2890.0°154.1°
N4C11C12H1690.0°119.5°
N4C11C12H2690.0°119.5°
N4C11C12C1390.0°22.3°
N4C11H16H2690.0°121.1°
N4C11C12H2790.0°96.0°
N4C11C12H2890.0°140.7°
C11C12C13H2790.0°118.3°
C11C12C13H2890.0°118.4°
C11C12C13N590.0°153.7°
C11C12C13H790.0°82.5°
C12C11H16H2690.0°121.0°
C11C12H27H2890.0°123.3°
C12C13N5H790.0°123.8°
C12C13N5C1690.0°175.0°
C12C13N5C1590.0°61.1°
C13C12C11H1690.0°97.2°
C13C12C11H2690.0°141.7°
C13C12H27H2890.0°123.2°
C13N5C16C1590.0°124.0°
N5C13C12H2790.0°35.4°
N5C13C12H2890.0°87.8°
C13N5C16H2990.0°60.0°
C13N5C16H3090.0°180.0°
C13N5C16H3190.0°60.0°
C13N5C15H3290.0°65.4°
C13N5C15H3390.0°174.6°
C13N5C15H3490.0°54.5°
C16N5C13H790.0°61.2°
N5C16H29H3090.0°120.0°
N5C16H29H3190.0°120.0°
N5C16H30H3190.0°119.9°
C16N5C15H3290.0°170.6°
C16N5C15H3390.0°50.6°
C16N5C15H3490.0°69.5°
C15N5C13H790.0°62.8°
C15N5C16H2990.0°64.0°
C15N5C16H3090.0°56.0°
C15N5C16H3190.0°176.0°
N5C15H32H3390.0°120.1°
N5C15H32H3490.0°119.9°
N5C15H33H3490.0°120.0°
H7C13C12H2790.0°159.2°
H7C13C12H2890.0°36.0°
H16C11C12H2790.0°144.5°
H16C11C12H2890.0°21.2°
H26C11C12H2790.0°23.4°
H26C11C12H2890.0°99.9°
H29C16H30H3190.0°120.1°
H32C15H33H3490.0°120.0°

222415

PDB entries from 2024-07-10

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