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AG0

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C17O19doub1.22Å1.19Å
C17O16sing1.35Å1.35Å
C18C17sing1.42Å1.46Å
C18C13doub1.34Å1.39Å
C13C14sing1.51Å1.51Å
O20C13sing1.35Å1.34Å
O20H38sing0.97Å0.95Å
C1C18sing1.51Å1.58Å
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C9C1sing1.51Å1.52Å
N8C9doub1.31Å1.31ÅAromatic
N10C9sing1.33Å1.41ÅAromatic
C4N10doub1.33Å1.27ÅAromatic
C4N5sing1.37Å1.36ÅAromatic
N5N8sing1.40Å1.29ÅAromatic
C6N5sing1.36Å1.34ÅAromatic
C6C12sing1.51Å1.51Å
C7C6doub1.36Å1.37ÅAromatic
C7H7sing1.08Å1.08Å
C12H12sing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
C12H12Bsing1.09Å1.10Å
N3C4sing1.34Å1.35ÅAromatic
C2C7sing1.40Å1.41ÅAromatic
C2N3doub1.31Å1.34ÅAromatic
C11C2sing1.51Å1.50Å
C11H11sing1.09Å1.10Å
C11H11Asing1.09Å1.10Å
C11H11Bsing1.09Å1.10Å
O16C15sing1.43Å1.43Å
C15C27sing1.53Å1.55Å
C15C21sing1.53Å1.56Å
C14C15sing1.53Å1.53Å
C14H14sing1.09Å1.10Å
C14H14Asing1.09Å1.10Å
C27C23sing1.54Å1.54Å
C27H27sing1.09Å1.10Å
C23H23sing1.09Å1.10Å
C23H23Asing1.09Å1.10Å
C26C27sing1.55Å1.51Å
C26C25sing1.55Å1.54Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C25C24sing1.54Å1.52Å
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
C24C23sing1.54Å1.55Å
C24H24sing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
C21C22sing1.53Å1.57Å
C21H21sing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
C22C29sing1.51Å1.48Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
C29C30doub1.39Å1.43ÅAromatic
C29C28sing1.39Å1.37ÅAromatic
C30C31sing1.38Å1.39ÅAromatic
C30H30sing1.08Å1.08Å
C28C33doub1.38Å1.35ÅAromatic
C28H28sing1.08Å1.08Å
C33N32sing1.32Å1.36ÅAromatic
C33C34sing1.51Å1.51Å
C34C35sing1.53Å1.54Å
C34H34sing1.09Å1.10Å
C34H34Asing1.09Å1.10Å
C35H35sing1.09Å1.10Å
C35H35Asing1.09Å1.10Å
C35H35Bsing1.09Å1.10Å
C31N32doub1.32Å1.33ÅAromatic
C31C36sing1.51Å1.51Å
C36H36sing1.09Å1.10Å
C36H36Asing1.09Å1.10Å
C37C36sing1.53Å1.52Å
C37H37sing1.09Å1.10Å
C37H37Asing1.09Å1.10Å
C37H37Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O19C17O16122.2°120.0°
O19C17C18119.7°120.0°
O16C17C18118.0°120.0°
C17O16C15127.5°116.3°
C17C18C13117.9°120.4°
C17C18C1119.0°119.8°
C18C13C14126.6°119.9°
C18C13O20119.5°120.0°
C13C18C1123.0°119.8°
C14C13O20113.9°120.0°
C13C14C15111.4°108.9°
C13C14H14108.8°109.6°
C13C14H14A108.4°109.6°
C13O20H38109.5°117.0°
C18C1H1107.5°109.5°
C18C1H1A106.2°109.4°
C18C1C9115.4°109.4°
H1C1H1A114.2°109.6°
H1C1C9107.5°109.4°
H1AC1C9106.2°109.4°
C1C9N8124.4°125.2°
C1C9N10123.0°125.2°
N8C9N10112.5°109.6°
C9N8N5102.6°107.1°
C9N10C4104.1°109.8°
N10C4N5107.5°107.2°
N10C4N3126.4°132.5°
C4N5N8113.4°106.4°
C4N5C6117.8°120.3°
N5C4N3126.1°120.3°
N8N5C6128.7°133.4°
N5C6C12117.4°120.5°
N5C6C7120.4°119.0°
C12C6C7122.2°120.5°
C6C12H12109.5°109.4°
C6C12H12A109.4°109.5°
C6C12H12B109.5°109.5°
C6C7H7121.0°120.4°
C6C7C2118.0°119.2°
H7C7C2121.0°120.4°
H12C12H12A109.5°109.5°
H12C12H12B109.4°109.5°
H12AC12H12B109.5°109.5°
C4N3C2114.7°120.8°
C7C2N3122.9°120.3°
C7C2C11119.1°119.8°
N3C2C11118.0°119.8°
C2C11H11109.5°109.5°
C2C11H11A109.5°109.5°
C2C11H11B109.5°109.5°
H11C11H11A109.5°109.5°
H11C11H11B109.5°109.4°
H11AC11H11B109.5°109.5°
O16C15C27110.4°109.6°
O16C15C2199.9°109.6°
O16C15C14116.5°108.6°
C27C15C21109.0°109.6°
C27C15C14116.5°109.6°
C15C27C23116.9°110.5°
C15C27H27100.1°110.4°
C15C27C26113.2°110.5°
C21C15C14102.4°109.7°
C15C21C22116.2°109.5°
C15C21H21107.3°109.5°
C15C21H21A105.7°109.4°
C15C14H14108.8°109.8°
C15C14H14A108.4°109.4°
H14C14H14A111.0°109.6°
C23C27H27108.2°110.5°
C27C23H23111.6°110.0°
C27C23H23A112.9°110.0°
C23C27C26106.0°104.2°
C27C23C24103.3°106.6°
H27C27C26112.3°110.6°
H23C23H23A104.8°110.0°
H23C23C24111.6°110.0°
H23AC23C24112.9°110.1°
C27C26C25106.9°102.7°
C27C26H26110.3°110.8°
C27C26H26A110.9°110.8°
C25C26H26110.3°110.7°
C25C26H26A110.9°110.8°
C26C25C24103.9°104.2°
C26C25H25111.4°110.5°
C26C25H25A112.6°110.5°
H26C26H26A107.5°110.8°
C24C25H25111.4°110.5°
C24C25H25A112.6°110.4°
C25C24C23110.1°106.6°
C25C24H24109.2°110.1°
C25C24H24A109.1°110.0°
H25C25H25A105.2°110.5°
C23C24H24109.3°110.0°
C23C24H24A109.1°110.0°
H24C24H24A110.0°110.0°
C22C21H21107.3°109.5°
C22C21H21A105.7°109.5°
C21C22C29109.2°109.5°
C21C22H22109.6°109.5°
C21C22H22A109.6°109.5°
H21C21H21A114.9°109.5°
C29C22H22109.6°109.4°
C29C22H22A109.6°109.4°
C22C29C30123.6°120.8°
C22C29C28121.1°120.8°
H22C22H22A109.3°109.4°
C30C29C28115.2°118.4°
C29C30C31118.2°119.2°
C29C30H30120.9°120.4°
C29C28C33122.9°119.1°
C29C28H28118.6°120.4°
C31C30H30120.9°120.4°
C30C31N32125.3°120.7°
C30C31C36118.8°119.6°
C33C28H28118.5°120.4°
C28C33N32123.3°120.8°
C28C33C34117.6°119.6°
N32C33C34119.1°119.6°
C33N32C31115.0°121.8°
C33C34C35111.5°109.5°
C33C34H34108.8°109.5°
C33C34H34A108.4°109.5°
C35C34H34108.8°109.5°
C35C34H34A108.4°109.5°
C34C35H35109.5°109.5°
C34C35H35A109.5°109.5°
C34C35H35B109.4°109.5°
H34C34H34A111.1°109.4°
H35C35H35A109.5°109.4°
H35C35H35B109.5°109.5°
H35AC35H35B109.5°109.4°
N32C31C36115.9°119.6°
C31C36H36109.0°109.5°
C31C36H36A108.7°109.5°
C31C36C37110.8°109.5°
H36C36H36A110.6°109.5°
H36C36C37109.0°109.4°
H36AC36C37108.7°109.5°
C36C37H37109.5°109.5°
C36C37H37A109.4°109.5°
C36C37H37B109.4°109.5°
H37C37H37A109.5°109.5°
H37C37H37B109.5°109.5°
H37AC37H37B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O19C17O16C18177.4°179.8°
O19C17C18C13179.3°178.8°
O19C17C18C11.5°1.2°
O19C17O16C15170.6°151.6°
O16C17C18C133.3°1.4°
O16C17C18C1179.0°178.5°
C17O16C15C27153.4°175.2°
C17O16C15C2191.9°64.4°
C17O16C15C1417.5°55.5°
C17C18C13C1177.6°179.9°
C17C18C13C141.8°0.3°
C17C18C13O20179.8°179.7°
C17C18C1H142.2°33.6°
C17C18C1H1A164.9°153.8°
C17C18C1C977.8°86.3°
C18C17O16C1512.0°28.2°
C18C13C14O20178.4°179.9°
C18C13O20H3870.8°5.3°
C13C18C1H1135.4°146.3°
C13C18C1H1A12.7°26.2°
C13C18C1C9104.6°93.7°
C18C13C14C157.0°27.8°
C18C13C14H14113.0°92.3°
C18C13C14H14A126.1°147.4°
C14C13O20H38107.7°174.8°
C14C13C18C1179.4°179.8°
C13C14C15O1613.3°53.0°
C13C14C15C27146.5°172.8°
C13C14C15C2194.6°66.8°
C13C14C15H14120.0°119.9°
C13C14C15H14A119.2°119.8°
C13C14H14H14A119.2°120.3°
O20C13C18C12.2°0.3°
O20C13C14C15174.6°152.2°
O20C13C14H1465.4°87.8°
O20C13C14H14A55.4°32.5°
C18C1H1H1A117.5°120.0°
C18C1H1C9124.9°120.0°
C18C1H1AC9123.4°119.9°
C18C1C9N8145.6°90.0°
C18C1C9N1033.2°90.3°
H1C1H1AC9118.3°120.0°
H1C1C9N825.6°30.0°
H1C1C9N10153.2°149.8°
H1AC1C9N897.1°150.1°
H1AC1C9N1084.2°29.7°
C1C9N8N10178.8°179.8°
C1C9N10C4179.7°180.0°
C1C9N8N5180.0°180.0°
N8C9N10C40.9°0.2°
C9N8N5C41.0°0.2°
C9N8N5C6178.8°179.9°
C9N10C4N50.2°0.1°
N10C9N8N51.2°0.3°
C9N10C4N3178.6°180.0°
N10C4N5N3178.4°179.9°
N10C4N5N80.5°0.1°
N10C4N5C6178.6°180.0°
N10C4N3C2179.0°179.9°
C4N5N8C6177.8°179.9°
C4N5C6C12179.7°180.0°
C4N5C6C70.3°0.1°
N5C4N3C20.9°0.2°
N8N5C6C122.0°0.2°
N8N5C6C7178.0°179.9°
N8N5C4N3177.9°179.9°
N5C6C12C7180.0°179.9°
N5C6C7H7180.0°179.9°
N5C6C12H12143.8°90.0°
N5C6C12H12A96.1°150.0°
N5C6C12H12B23.9°29.9°
C6N5C4N30.2°0.0°
N5C6C7C20.0°0.0°
C12C6C7H70.0°0.0°
C6C12H12H12A120.0°120.0°
C6C12H12H12B120.0°120.0°
C6C12H12AH12B120.0°120.0°
C12C6C7C2180.0°179.9°
C6C7H7C2180.0°179.9°
C7C6C12H1236.2°90.1°
C7C6C12H12A83.8°30.0°
C7C6C12H12B156.2°150.0°
C6C7C2N30.8°0.2°
C6C7C2C11179.8°180.0°
H7C7C2N3179.2°179.9°
H7C7C2C110.2°0.0°
H12C12H12AH12B119.9°120.0°
C4N3C2C71.2°0.3°
C4N3C2C11179.8°179.9°
C7C2N3C11179.0°179.9°
C7C2C11H1197.5°90.0°
C7C2C11H11A22.5°150.0°
C7C2C11H11B142.5°30.0°
N3C2C11H1181.5°89.9°
N3C2C11H11A158.5°30.1°
N3C2C11H11B38.5°150.2°
C2C11H11H11A120.0°120.0°
C2C11H11H11B120.0°120.0°
C2C11H11AH11B120.0°120.0°
H11C11H11AH11B120.0°119.9°
O16C15C27C21108.8°120.4°
O16C15C27C14135.9°119.1°
O16C15C21C14120.2°119.2°
O16C15C14H14106.7°66.9°
O16C15C14H14A132.4°172.8°
O16C15C27C23164.7°60.0°
O16C15C27H2748.2°177.5°
O16C15C27C2671.6°54.8°
O16C15C21C2256.3°174.7°
O16C15C21H21176.3°65.3°
O16C15C21H21A60.6°54.7°
C27C15C21C14124.0°120.5°
C27C15C14H1426.5°52.8°
C27C15C14H14A94.3°67.5°
C15C27C23H27112.0°122.5°
C15C27C23C26127.3°118.7°
C15C27H27C26120.4°122.6°
C15C27C23H2334.5°23.0°
C15C27C23H23A83.3°98.4°
C15C27C26C25161.8°156.6°
C15C27C26H2678.2°85.1°
C15C27C26H26A40.9°38.3°
C15C27C23C24154.5°142.3°
C27C15C21C2259.5°54.3°
C27C15C21H2160.5°174.3°
C27C15C21H21A176.4°65.7°
C21C15C14H14145.4°173.3°
C21C15C14H14A24.5°53.0°
C21C15C27C2355.9°179.6°
C21C15C27H2760.7°57.1°
C21C15C27C26179.6°65.6°
C15C21C22H21120.0°120.0°
C15C21C22H21A116.9°120.0°
C15C21H21H21A117.3°120.0°
C15C21C22C29179.4°175.7°
C15C21C22H2259.4°64.3°
C15C21C22H22A60.5°55.7°
C15C14H14H14A119.2°120.2°
C14C15C27C2359.4°59.1°
C14C15C27H27175.9°63.4°
C14C15C27C2664.4°173.9°
C14C15C21C22176.5°66.1°
C14C15C21H2163.5°53.9°
C14C15C21H21A59.6°173.8°
C23C27H27C26116.7°114.8°
C27C23H23H23A122.5°121.4°
C27C23H23C24115.0°117.2°
C27C23H23AC24116.7°117.2°
C23C27C26C2532.4°37.9°
C23C27C26H26152.4°156.3°
C23C27C26H26A88.6°80.4°
C27C23C24C2512.6°0.0°
C27C23C24H24107.4°119.3°
C27C23C24H24A132.3°119.3°
H27C27C23H23146.5°145.5°
H27C27C23H23A28.7°24.1°
H27C27C26C2585.6°80.8°
H27C27C26H2634.3°37.5°
H27C27C26H26A153.4°160.9°
H27C27C23C2493.5°95.2°
H23C23H23AC24121.7°121.4°
H23C23C27C2692.9°95.7°
H23C23C24C25107.4°119.3°
H23C23C24H24132.6°0.1°
H23C23C24H24A12.3°121.5°
H23AC23C27C26149.4°142.9°
H23AC23C24C25134.9°119.3°
H23AC23C24H2414.9°121.4°
H23AC23C24H24A105.5°0.0°
C27C26C25H26120.0°118.3°
C27C26C25H26A121.0°118.3°
C27C26H26H26A121.1°123.4°
C27C26C25C2423.6°38.0°
C27C26C25H2596.4°80.8°
C27C26C25H25A145.7°156.6°
C26C27C23C2427.1°23.6°
C25C26H26H26A121.0°123.3°
C26C25C24H25120.0°118.7°
C26C25C24H25A122.1°118.7°
C26C25H25H25A122.3°122.6°
C26C25C24C236.4°23.7°
C26C25C24H24126.4°95.7°
C26C25C24H24A113.4°142.9°
H26C26C25C24143.6°156.3°
H26C26C25H2523.6°37.6°
H26C26C25H25A94.3°85.1°
H26AC26C25C2497.4°80.3°
H26AC26C25H25142.6°160.9°
H26AC26C25H25A24.7°38.3°
C24C25H25H25A122.3°122.6°
C25C24C23H24120.0°119.4°
C25C24C23H24A119.7°119.2°
C25C24H24H24A119.7°121.4°
H25C25C24C23113.6°95.1°
H25C25C24H246.4°145.6°
H25C25C24H24A126.7°24.2°
H25AC25C24C23128.4°142.3°
H25AC25C24H24111.5°23.0°
H25AC25C24H24A8.7°98.5°
C23C24H24H24A119.8°121.4°
C22C21H21H21A117.2°120.0°
C21C22C29H22120.0°120.0°
C21C22C29H22A120.1°120.1°
C21C22H22H22A120.1°120.0°
C21C22C29C3084.7°89.9°
C21C22C29C2894.0°90.3°
H21C21C22C2960.6°55.7°
H21C21C22H22179.4°175.7°
H21C21C22H22A59.5°64.3°
H21AC21C22C2962.5°64.3°
H21AC21C22H2257.5°55.7°
H21AC21C22H22A177.4°175.7°
C29C22H22H22A120.1°119.9°
C22C29C30C28178.7°179.8°
C22C29C30C31179.4°180.0°
C22C29C30H300.5°0.1°
C22C29C28C33178.4°180.0°
C22C29C28H281.6°0.1°
H22C22C29C3035.4°30.1°
H22C22C29C28146.0°149.7°
H22AC22C29C30155.2°150.0°
H22AC22C29C2826.1°29.8°
C29C30C31H30180.0°180.0°
C30C29C28C330.3°0.2°
C30C29C28H28179.7°179.7°
C29C30C31N321.1°0.1°
C29C30C31C36179.6°180.0°
C28C29C30C310.7°0.2°
C28C29C30H30179.3°179.7°
C29C28C33H28180.0°180.0°
C29C28C33N321.2°0.0°
C29C28C33C34179.9°180.0°
C30C31N32C330.4°0.4°
C30C31N32C36179.3°179.9°
C30C31C36H3645.7°115.0°
C30C31C36H36A166.3°5.0°
C30C31C36C3774.3°125.0°
H30C30C31N32178.9°180.0°
H30C30C31C360.4°0.0°
C28C33N32C34178.7°179.9°
C28C33C34C35100.8°125.0°
C28C33C34H3419.2°115.0°
C28C33C34H34A140.1°5.0°
C28C33N32C310.8°0.3°
H28C28C33N32178.8°180.0°
H28C28C33C340.1°0.0°
N32C33C34C3578.0°55.0°
N32C33C34H34162.0°65.1°
N32C33C34H34A41.2°175.0°
C33N32C31C36179.7°179.7°
C33C34C35H34120.0°120.1°
C33C34C35H34A119.1°120.0°
C33C34H34H34A119.2°120.0°
C33C34C35H35119.3°59.9°
C33C34C35H35A0.7°60.0°
C33C34C35H35B120.7°180.0°
C34C33N32C31179.5°179.7°
C35C34H34H34A119.2°120.0°
C34C35H35H35A120.0°120.0°
C34C35H35H35B120.0°120.1°
C34C35H35AH35B120.0°120.0°
H34C34C35H35120.7°180.0°
H34C34C35H35A119.3°60.0°
H34C34C35H35B0.7°59.9°
H34AC34C35H350.2°60.0°
H34AC34C35H35A119.9°180.0°
H34AC34C35H35B120.2°60.1°
H35C35H35AH35B120.0°120.0°
N32C31C36H36135.0°64.9°
N32C31C36H36A14.4°175.0°
N32C31C36C37105.1°55.0°
C31C36H36H36A119.5°120.0°
C31C36H36C37121.1°120.0°
C31C36H36AC37120.7°120.0°
C31C36C37H3763.8°60.0°
C31C36C37H37A176.2°60.0°
C31C36C37H37B56.2°180.0°
H36C36H36AC37119.6°120.0°
H36C36C37H3756.2°180.0°
H36C36C37H37A63.8°60.0°
H36C36C37H37B176.1°60.0°
H36AC36C37H37176.7°60.0°
H36AC36C37H37A56.7°180.0°
H36AC36C37H37B63.3°60.0°
C36C37H37H37A120.0°120.0°
C36C37H37H37B120.0°120.0°
C36C37H37AH37B120.0°120.0°
H37C37H37AH37B120.0°120.0°

222624

PDB entries from 2024-07-17

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