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A1H78

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C6C7sing1.53Å1.51Å
C6C5sing1.52Å1.51Å
C7C8sing1.56Å1.54Å
C5C4sing1.52Å1.54Å
C8C9sing1.48Å1.51Å
C8N3sing1.47Å1.46Å
O1C9doub1.21Å1.24Å
O4S1doub1.42Å1.42Å
C4N3sing1.47Å1.49Å
C4C3sing1.51Å1.54Å
C9N1sing1.30Å1.37Å
O3S1doub1.42Å1.44Å
N3S1sing1.66Å1.62Å
S1C15sing1.76Å1.77Å
C3C2sing1.51Å1.50Å
C3C14sing1.49Å1.53Å
N1C10sing1.48Å1.44Å
N1C14sing1.52Å1.44Å
C10C11sing1.51Å1.52Å
C10C12sing1.55Å1.52Å
C1C2doub1.31Å1.28Å
C14C13sing1.52Å1.53Å
N2C11sing1.35Å1.32Å
C11O2doub1.21Å1.21Å
C15C16doub1.38Å1.37ÅAromatic
C15C20sing1.38Å1.39ÅAromatic
C12C13sing1.55Å1.47Å
C16C17sing1.38Å1.39ÅAromatic
C20C19doub1.38Å1.39ÅAromatic
C17CL1sing1.74Å1.72Å
C17C18doub1.38Å1.39ÅAromatic
C19C18sing1.38Å1.39ÅAromatic
C19CL2sing1.74Å1.73Å
C4H5sing1.09Å1.10Å
C14H20sing1.09Å1.10Å
C5H7sing1.09Å1.10Å
C5H6sing1.09Å1.10Å
C6H9sing1.09Å1.10Å
C6H8sing1.09Å1.10Å
C7H10sing1.09Å1.10Å
C7H11sing1.09Å1.10Å
C8H12sing1.09Å1.10Å
C10H13sing1.09Å1.10Å
C12H16sing1.09Å1.10Å
C12H17sing1.09Å1.10Å
C13H19sing1.09Å1.10Å
C13H18sing1.09Å1.10Å
N2H15sing0.97Å1.00Å
N2H14sing0.97Å1.00Å
C3H4sing1.09Å1.10Å
C1H1sing1.08Å1.08Å
C1H2sing1.08Å1.08Å
C2H3sing1.08Å1.08Å
C16H21sing1.08Å1.08Å
C18H22sing1.08Å1.08Å
C20H23sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C7C6C5110.6°112.6°
C6C7C8108.3°106.0°
C7C6H9109.2°108.8°
C7C6H8109.2°108.8°
C6C7H10109.8°110.1°
C6C7H11109.8°110.2°
C6C5C4111.7°114.9°
C6C5H7108.9°108.4°
C6C5H6108.9°108.3°
C5C6H9109.2°108.9°
C5C6H8109.2°108.9°
C7C8C9109.1°106.6°
C7C8N3111.2°102.8°
C8C7H10109.8°110.1°
C8C7H11109.8°110.2°
C7C8H12106.9°110.7°
C5C4N3111.2°108.6°
C5C4C3112.0°117.8°
C5C4H5107.1°107.7°
C4C5H7108.9°108.4°
C4C5H6108.9°108.4°
C9C8N3114.1°114.8°
C8C9O1118.1°111.7°
C8C9N1123.4°136.7°
C9C8H12107.4°110.5°
C8N3C4116.4°117.1°
C8N3S1120.3°121.4°
N3C8H12107.9°111.0°
O1C9N1118.4°111.7°
O4S1O3119.5°123.1°
O4S1N3111.3°106.4°
O4S1C15105.7°106.3°
N3C4C3111.5°106.2°
C4N3S1116.0°121.5°
N3C4H5107.6°108.0°
C4C3C2107.9°107.4°
C4C3C14113.0°119.9°
C3C4H5107.1°108.2°
C4C3H4108.4°107.3°
C9N1C10116.4°129.9°
C9N1C14128.6°128.0°
O3S1N3106.7°106.5°
O3S1C15108.8°106.4°
N3S1C15103.7°107.2°
S1C15C16120.7°119.9°
S1C15C20117.7°120.0°
C2C3C14110.0°107.4°
C3C2C1126.6°120.0°
C2C3H4109.0°106.9°
C3C2H3116.7°119.9°
C3C14N1111.9°105.9°
C3C14C13114.7°120.3°
C3C14H20108.6°108.6°
C14C3H4108.5°107.3°
C10N1C14114.7°101.9°
N1C10C11112.5°110.0°
N1C10C12103.4°106.8°
N1C10H13110.2°110.0°
N1C14C13102.9°103.2°
N1C14H20109.8°109.0°
C11C10C12112.5°110.0°
C10C11N2114.2°120.0°
C10C11O2123.6°120.0°
C11C10H13109.1°110.0°
C10C12C13106.3°105.0°
C12C10H13109.0°110.0°
C10C12H16110.3°110.3°
C10C12H17110.2°110.3°
C2C1H1120.0°120.0°
C2C1H2120.0°120.1°
C1C2H3116.7°120.1°
C14C13C12106.6°101.3°
C13C14H20108.7°109.2°
C14C13H19110.2°111.1°
C14C13H18110.2°111.0°
N2C11O2122.2°120.0°
C11N2H15120.0°120.0°
C11N2H14120.0°120.0°
C16C15C20121.6°120.0°
C15C16C17118.9°120.0°
C15C16H21120.6°120.0°
C15C20C19118.6°120.0°
C15C20H23120.7°120.0°
C13C12H16110.2°110.3°
C13C12H17110.3°110.4°
C12C13H19110.2°111.0°
C12C13H18110.2°111.1°
C16C17CL1120.3°120.0°
C16C17C18121.1°120.0°
C17C16H21120.6°120.0°
C20C19C18120.8°120.0°
C20C19CL2118.2°120.0°
C19C20H23120.7°120.0°
CL1C17C18118.5°120.0°
C17C18C19118.9°120.0°
C17C18H22120.6°120.0°
C18C19CL2121.0°120.0°
C19C18H22120.5°120.0°
H7C5H6109.5°108.3°
H9C6H8109.5°108.7°
H10C7H11109.5°110.2°
H16C12H17109.5°110.4°
H19C13H18109.5°111.0°
H15N2H14120.0°120.0°
H1C1H2120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C7C6C5H9120.2°120.8°
C7C6C5H8120.2°120.8°
C6C7C8H10119.8°119.1°
C6C7C8H11119.8°119.1°
C7C6C5C457.3°46.7°
C6C7C8C969.2°55.0°
C6C7C8N357.4°66.2°
C7C6C5H7177.6°74.7°
C7C6C5H663.1°168.0°
C7C6H9H8119.5°118.4°
C6C7H10H11120.5°121.8°
C6C7C8H12175.1°175.2°
C5C6C7C860.6°59.0°
C6C5C4H7120.3°121.4°
C6C5C4H6120.3°121.3°
C6C5C4N348.5°40.5°
C6C5C4C377.0°80.1°
C6C5C4H5165.9°157.2°
C6C5H7H6119.0°117.2°
C5C6H9H8119.5°118.5°
C5C6C7H1059.2°60.0°
C5C6C7H11179.6°178.2°
C7C8C9N3125.0°113.1°
C7C8C9H12115.5°120.4°
C7C8N3H12117.0°118.4°
C7C8C9O157.8°112.8°
C7C8N3C452.6°69.4°
C7C8C9N1120.9°67.3°
C7C8N3S196.4°110.7°
C8C7C6H959.5°179.8°
C8C7C6H8179.2°61.8°
C8C7H10H11120.6°121.7°
C5C4N3C847.5°55.5°
C5C4N3C3125.8°127.6°
C5C4N3H5117.0°116.5°
C5C4C3H5117.1°122.4°
C5C4N3S1102.8°124.5°
C5C4C3C2107.5°145.8°
C5C4C3C14130.7°23.1°
C4C5H7H6119.0°117.4°
C4C5C6H962.9°167.5°
C4C5C6H8177.5°74.1°
C5C4C3H410.3°99.5°
C9C8N3H12119.2°126.3°
C8C9O1N1178.8°179.9°
C9C8N3C471.2°45.9°
C9C8N3S1139.8°134.0°
C8C9N1C10174.3°128.8°
C8C9N1C140.3°44.9°
C9C8C7H10171.0°174.1°
C9C8C7H1150.6°64.2°
N3C8C9O1177.2°134.1°
C8N3S1O4115.2°156.5°
C8N3C4S1150.3°180.0°
C8N3C4C378.3°72.1°
N3C8C9N14.0°45.8°
C8N3S1O316.8°23.5°
C8N3S1C15131.6°90.1°
C8N3C4H5164.6°172.0°
N3C8C7H1062.4°52.9°
N3C8C7H11177.3°174.7°
O1C9N1C104.5°51.3°
O1C9N1C14178.5°135.1°
O1C9C8H1257.7°7.6°
O4S1N3C433.9°23.5°
O4S1O3N3127.3°123.0°
O4S1O3C15121.4°122.9°
O4S1N3C15113.2°113.5°
O4S1C15C168.3°156.4°
O4S1C15C20171.1°23.3°
N3C4C3H5117.5°115.7°
C4N3S1O3165.9°156.4°
C4N3S1C1579.3°90.0°
N3C4C3C2127.1°24.0°
N3C4C3C145.3°98.8°
N3C4C5H7168.9°80.9°
N3C4C5H671.8°161.8°
C4N3C8H12169.6°172.2°
N3C4C3H4115.1°138.6°
C3C4N3S1131.4°107.9°
C4C3C2C14123.6°130.2°
C4C3C2H4117.5°114.9°
C4C3C14H4120.3°122.6°
C4C3C14N172.8°63.0°
C4C3C2C1112.8°120.0°
C4C3C14C13170.3°53.1°
C4C3C14H2048.6°180.0°
C3C4C5H743.3°158.4°
C3C4C5H6162.7°41.1°
C4C3C2H367.3°60.1°
C9N1C14C358.1°1.1°
C9N1C10C14174.8°174.9°
C9N1C10C1170.8°97.8°
C9N1C10C12167.6°142.8°
C9N1C14C13178.1°128.4°
C9N1C14H2062.6°115.7°
N1C9C8H12123.6°172.3°
C9N1C10H1351.2°23.5°
O3S1N3C15114.8°113.6°
O3S1C15C16137.8°23.6°
O3S1C15C2041.6°156.2°
N3S1C15C16108.9°90.0°
N3S1C15C2071.7°90.2°
S1N3C4H514.2°8.0°
S1N3C8H1220.6°7.7°
S1C15C16C20179.4°179.7°
S1C15C16C17176.9°180.0°
S1C15C20C19178.4°179.8°
S1C15C16H213.1°0.0°
S1C15C20H231.6°0.1°
C2C3C14H4119.1°114.7°
C2C3C14N1166.6°59.7°
C3C2C1H3180.0°179.9°
C2C3C14C1349.8°175.9°
C2C3C4H59.6°91.8°
C2C3C14H2072.0°57.2°
C3C2C1H10.0°180.0°
C3C2C1H2180.0°0.0°
C3C14N1C10116.0°173.9°
C3C14N1C13123.7°127.3°
C3C14N1H20120.7°116.7°
C14C3C2C1123.6°109.8°
C3C14C13H20121.8°126.6°
C3C14C13C12101.6°159.5°
C14C3C4H5112.2°145.4°
C3C14C13H1918.0°41.5°
C3C14C13H18138.9°82.5°
C14C3C2H356.4°70.1°
N1C10C11C12116.3°117.4°
N1C10C11H13122.6°121.3°
N1C10C12H13117.2°119.4°
C10N1C14C137.8°46.6°
N1C10C11N2153.4°178.9°
N1C10C11O229.3°1.2°
N1C10C12C1320.0°6.3°
C10N1C14H20123.3°69.3°
N1C10C12H16139.5°125.2°
N1C10C12H1799.5°112.6°
C14N1C10C11114.4°87.3°
C14N1C10C127.3°32.0°
N1C14C13H20116.4°115.8°
N1C14C13C1220.3°41.9°
C14N1C10H13123.6°151.4°
N1C14C13H19139.8°76.1°
N1C14C13H1899.3°159.9°
N1C14C3H447.4°174.4°
C11C10C12H13121.2°121.3°
C10C11N2O2177.4°179.9°
C11C10C12C13101.7°113.0°
C11C10C12H1617.8°5.8°
C11C10C12H17138.8°128.0°
C10C11N2H15177.4°180.0°
C10C11N2H142.6°0.0°
C10C12C13C1425.3°21.8°
C12C10C11N290.3°61.5°
C12C10C11O287.1°118.6°
C10C12C13H16119.5°118.8°
C10C12C13H17119.5°118.9°
C10C12H16H17121.4°122.2°
C10C12C13H19144.8°96.2°
C10C12C13H1894.3°139.8°
C1C2C3H44.7°5.1°
C2C1H1H2180.0°180.0°
C14C13C12H19119.6°118.0°
C14C13C12H18119.5°118.0°
C14C13C12H16144.8°97.0°
C14C13C12H1794.2°140.7°
C14C13H19H18121.3°124.0°
C13C14C3H469.4°69.4°
N2C11C10H1330.8°59.8°
C11N2H15H14180.0°180.0°
O2C11C10H13151.8°120.2°
O2C11N2H150.0°0.0°
O2C11N2H14180.0°179.9°
C15C16C17H21180.0°180.0°
C16C15C20C191.1°0.5°
C15C16C17CL1178.3°180.0°
C15C16C17C181.7°0.0°
C16C15C20H23179.0°179.7°
C20C15C16C172.5°0.3°
C15C20C19H23180.0°179.8°
C15C20C19C181.2°0.4°
C15C20C19CL2179.6°179.7°
C20C15C16H21177.5°179.7°
C12C13C14H20136.7°73.9°
C13C12C10H13137.2°125.7°
C13C12H16H17121.4°122.2°
C12C13H19H18121.3°124.0°
C16C17CL1C18180.0°180.0°
C16C17C18C190.5°0.0°
C16C17C18H22179.5°180.0°
C20C19C18C171.9°0.2°
C20C19C18CL2178.4°179.8°
C20C19C18H22178.1°179.8°
CL1C17C18C19179.6°179.9°
CL1C17C16H211.8°0.0°
CL1C17C18H220.4°0.1°
C17C18C19H22180.0°180.0°
C17C18C19CL2179.7°180.0°
C18C17C16H21178.3°180.0°
C18C19C20H23178.8°179.7°
CL2C19C18H220.3°0.0°
CL2C19C20H230.4°0.1°
H5C4C5H773.8°35.8°
H5C4C5H645.6°81.5°
H5C4C3H4127.4°22.9°
H20C14C13H19103.8°168.1°
H20C14C13H1817.1°44.1°
H20C14C3H4168.8°57.4°
H7C5C6H957.4°46.1°
H7C5C6H862.2°164.5°
H6C5C6H9176.8°71.2°
H6C5C6H857.1°47.2°
H9C6C7H10179.4°60.8°
H9C6C7H1160.3°61.0°
H8C6C7H1060.9°179.1°
H8C6C7H1159.4°57.3°
H10C7C8H1255.2°65.7°
H11C7C8H1265.1°56.1°
H13C10C12H16103.3°115.5°
H13C10C12H1717.7°6.7°
H16C12C13H1995.7°145.0°
H16C12C13H1825.3°21.0°
H17C12C13H1925.3°22.7°
H17C12C13H18146.2°101.3°
H4C3C2H3175.2°175.0°
H1C1C2H3180.0°0.1°
H2C1C2H30.0°179.9°

250835

PDB entries from 2026-03-18

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