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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C10C11sing1.55Å1.50Å
C10C2sing1.54Å1.53Å
C11C12sing1.55Å1.52Å
C2C3sing1.51Å1.52Å
C2N1sing1.47Å1.47Å
C12N1sing1.47Å1.47Å
OC3doub1.21Å1.23Å
C3N2sing1.35Å1.33Å
N2C4sing1.47Å1.45Å
C17C18doub1.38Å1.38ÅAromatic
C17C16sing1.38Å1.38ÅAromatic
C4C5sing1.51Å1.51Å
N1C1sing1.35Å1.34Å
C18C19sing1.38Å1.38ÅAromatic
C16C15doub1.38Å1.39ÅAromatic
C5C9doub1.39Å1.38ÅAromatic
C5C6sing1.39Å1.38ÅAromatic
C19C14doub1.38Å1.39ÅAromatic
C1O1doub1.21Å1.22Å
C1Csing1.51Å1.53Å
C15C14sing1.38Å1.39ÅAromatic
C9C8sing1.38Å1.38ÅAromatic
C14C13sing1.51Å1.52Å
C6C7doub1.38Å1.38ÅAromatic
CC13sing1.53Å1.55Å
CNsing1.47Å1.46Å
C13C20sing1.51Å1.52Å
C8N3doub1.32Å1.33ÅAromatic
C7N3sing1.32Å1.33ÅAromatic
C25C20doub1.38Å1.39ÅAromatic
C25C24sing1.38Å1.39ÅAromatic
C20C21sing1.38Å1.39ÅAromatic
C24C23doub1.38Å1.37ÅAromatic
C21C22doub1.38Å1.38ÅAromatic
C23C22sing1.38Å1.38ÅAromatic
C4H1sing1.09Å1.10Å
C4H2sing1.09Å1.10Å
C6H3sing1.08Å1.08Å
C7H4sing1.08Å1.08Å
C8H5sing1.08Å1.08Å
N2H6sing0.97Å1.00Å
C9H7sing1.08Å1.08Å
C10H8sing1.09Å1.10Å
C10H9sing1.09Å1.10Å
C11H10sing1.09Å1.10Å
C11H11sing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C12H13sing1.09Å1.10Å
C13H14sing1.09Å1.10Å
C15H15sing1.08Å1.08Å
NH16sing1.01Å1.00Å
NH17sing1.01Å1.00Å
CH19sing1.09Å1.10Å
C16H20sing1.08Å1.08Å
C17H21sing1.08Å1.08Å
C18H22sing1.08Å1.08Å
C19H23sing1.08Å1.08Å
C2H24sing1.09Å1.10Å
C21H25sing1.08Å1.08Å
C22H26sing1.08Å1.08Å
C23H27sing1.08Å1.08Å
C24H28sing1.08Å1.08Å
C25H29sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C11C10C2103.9°102.9°
C10C11C12103.3°101.6°
C11C10H8110.8°110.7°
C11C10H9110.8°110.8°
C10C11H10111.0°111.0°
C10C11H11111.0°111.0°
C10C2C3110.2°109.9°
C10C2N1103.4°107.3°
C2C10H8110.8°110.7°
C2C10H9110.9°110.7°
C10C2H24110.1°109.9°
C11C12N1102.7°104.9°
C12C11H10111.0°110.9°
C12C11H11111.0°111.0°
C11C12H12111.2°110.4°
C11C12H13111.1°110.4°
C3C2N1111.7°109.8°
C2C3O120.9°120.0°
C2C3N2115.8°120.0°
C3C2H24110.2°109.9°
C2N1C12111.6°108.7°
C2N1C1120.2°125.6°
N1C2H24111.1°110.2°
C12N1C1128.2°125.7°
N1C12H12111.1°110.4°
N1C12H13111.1°110.4°
OC3N2123.3°120.0°
C3N2C4121.5°120.0°
C3N2H6119.3°120.0°
N2C4C5111.9°109.4°
N2C4H1108.8°109.5°
N2C4H2108.9°109.5°
C4N2H6119.2°120.0°
C18C17C16119.6°120.0°
C17C18C19120.2°120.0°
C18C17H21120.2°120.0°
C17C18H22119.9°120.0°
C17C16C15120.3°120.0°
C17C16H20119.8°120.0°
C16C17H21120.2°120.0°
C4C5C9121.0°120.8°
C4C5C6121.4°120.8°
C5C4H1108.9°109.5°
C5C4H2108.9°109.4°
N1C1O1121.8°120.0°
N1C1C118.2°120.0°
C18C19C14120.8°120.0°
C19C18H22119.9°120.0°
C18C19H23119.6°120.0°
C16C15C14120.6°120.0°
C16C15H15119.7°120.0°
C15C16H20119.9°120.0°
C9C5C6117.6°118.4°
C5C9C8119.4°119.1°
C5C9H7120.3°120.4°
C5C6C7119.2°119.1°
C5C6H3120.4°120.4°
C19C14C15118.4°120.1°
C19C14C13119.9°120.0°
C14C19H23119.6°120.1°
O1C1C120.0°120.0°
C1CC13110.0°109.4°
C1CN108.9°109.5°
C1CH19109.5°109.5°
C15C14C13121.5°120.0°
C14C15H15119.7°120.0°
C9C8N3123.5°120.8°
C9C8H5118.3°119.6°
C8C9H7120.3°120.4°
C14C13C110.4°109.5°
C14C13C20113.8°109.4°
C14C13H14106.7°109.5°
C6C7N3123.3°120.8°
C7C6H3120.4°120.5°
C6C7H4118.3°119.6°
C13CN108.6°109.5°
CC13C20112.2°109.5°
CC13H14106.5°109.5°
C13CH19109.2°109.5°
CNH16109.5°111.0°
CNH17109.4°111.0°
NCH19110.5°109.5°
C13C20C25121.3°120.0°
C13C20C21120.4°120.0°
C20C13H14106.8°109.4°
C8N3C7117.0°121.7°
N3C8H5118.3°119.6°
N3C7H4118.3°119.6°
C20C25C24120.7°120.0°
C25C20C21118.4°120.0°
C20C25H29119.7°120.0°
C25C24C23120.2°120.0°
C25C24H28119.9°120.0°
C24C25H29119.7°120.0°
C20C21C22120.7°120.0°
C20C21H25119.6°120.0°
C24C23C22119.8°119.9°
C24C23H27120.1°120.0°
C23C24H28119.9°120.0°
C21C22C23120.2°120.0°
C22C21H25119.7°120.0°
C21C22H26119.9°120.0°
C23C22H26119.9°119.9°
C22C23H27120.1°120.1°
H1C4H2109.5°109.5°
H8C10H9109.5°110.8°
H10C11H11109.5°111.0°
H12C12H13109.5°110.4°
H16NH17109.5°111.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C11C10C2H8119.1°118.4°
C11C10C2H9119.1°118.4°
C10C11C12H10119.0°118.1°
C10C11C12H11119.0°118.1°
C11C10C2C3146.4°141.6°
C11C10C2N127.0°22.4°
C10C11C12N134.9°36.9°
C11C10H8H9122.5°123.3°
C10C11H10H11122.8°124.0°
C10C11C12H1284.0°155.8°
C10C11C12H13153.8°81.9°
C11C10C2H2491.7°97.4°
C2C10C11C1238.6°35.5°
C10C2C3N1114.3°117.7°
C10C2C3H24121.7°121.0°
C10C2N1H24118.0°119.5°
C10C2N1C125.1°0.8°
C10C2C3O62.0°118.6°
C10C2C3N2117.0°61.4°
C10C2N1C1175.9°178.9°
C2C10H8H9122.6°123.2°
C2C10C11H10157.6°153.5°
C2C10C11H1180.4°82.5°
C11C12N1C218.5°23.9°
C11C12N1H12118.9°118.9°
C11C12N1H13118.9°118.9°
C11C12N1C1160.5°155.8°
C12C11C10H8157.7°153.8°
C12C11C10H980.5°82.8°
C12C11H10H11122.8°123.8°
C11C12H12H13123.1°122.3°
C3C2N1H24123.5°121.1°
C3C2N1C12123.5°118.5°
C2C3ON2178.8°180.0°
C2C3N2C4176.9°180.0°
C3C2N1C157.4°61.8°
C2C3N2H63.1°0.0°
C3C2C10H894.5°100.0°
C3C2C10H927.3°23.2°
C2N1C12C1179.0°179.7°
N1C2C3O52.4°0.8°
N1C2C3N2128.7°179.2°
C2N1C1O15.2°3.6°
C2N1C1C177.2°176.3°
N1C2C10H8146.0°140.7°
N1C2C10H992.1°96.0°
C2N1C12H12100.4°142.8°
C2N1C12H13137.4°95.0°
C12N1C1O1173.7°176.1°
C12N1C1C3.9°4.0°
N1C12C11H10153.9°155.0°
N1C12C11H1184.2°81.2°
N1C12H12H13123.1°122.2°
C12N1C2H24113.0°120.4°
OC3N2C42.0°0.0°
OC3N2H6178.0°180.0°
OC3C2H24176.3°120.5°
C3N2C4H6180.0°180.0°
C3N2C4C587.7°180.0°
C3N2C4H1152.0°60.0°
C3N2C4H232.7°60.1°
N2C3C2H244.8°59.5°
N2C4C5H1120.3°120.0°
N2C4C5H2120.4°120.0°
N2C4C5C9132.7°90.0°
N2C4C5C646.2°89.7°
N2C4H1H2118.9°120.0°
C18C17C16H21180.0°179.8°
C17C18C19H22180.0°179.7°
C18C17C16C151.2°0.1°
C17C18C19C140.9°0.6°
C18C17C16H20178.8°180.0°
C17C18C19H23179.0°180.0°
C16C17C18C190.8°0.3°
C17C16C15H20180.0°179.9°
C17C16C15C140.0°0.1°
C17C16C15H15180.0°180.0°
C16C17C18H22179.3°180.0°
C4C5C9C6179.0°179.7°
C4C5C9C8178.5°180.0°
C4C5C6C7178.8°180.0°
C5C4H1H2118.9°120.0°
C4C5C6H31.2°0.1°
C5C4N2H692.3°0.0°
C4C5C9H71.5°0.1°
N1C1O1C177.6°180.0°
N1C1CC13103.3°110.6°
N1C1CN137.8°129.4°
C1N1C12H1280.6°36.9°
C1N1C12H1341.6°85.3°
N1C1CH1916.8°9.4°
C1N1C2H2466.1°59.4°
C18C19C14H23180.0°179.3°
C18C19C14C152.1°0.6°
C18C19C14C13172.3°179.6°
C19C18C17H21179.3°180.0°
C16C15C14C191.6°0.3°
C16C15C14H15180.0°180.0°
C16C15C14C13172.7°180.0°
C15C16C17H21178.8°179.7°
C5C9C8H7180.0°179.9°
C9C5C6C70.2°0.3°
C5C9C8N30.4°0.0°
C9C5C4H112.3°150.0°
C9C5C4H2107.0°30.0°
C9C5C6H3179.8°179.8°
C5C9C8H5179.6°179.7°
C6C5C9C80.4°0.3°
C5C6C7H3180.0°179.9°
C5C6C7N30.2°0.0°
C6C5C4H1166.6°30.3°
C6C5C4H274.1°150.3°
C5C6C7H4179.8°179.9°
C6C5C9H7179.5°179.6°
C19C14C15C13174.3°179.7°
C19C14C13C82.3°53.2°
C19C14C13C20150.5°66.7°
C19C14C13H1433.0°173.3°
C19C14C15H15178.4°179.7°
C14C19C18H22179.0°179.7°
O1C1CC1374.4°69.4°
O1C1CN44.6°50.5°
O1C1CH19165.5°170.6°
C1CC13C1461.9°66.0°
C1CC13N119.1°120.0°
C1CC13H19120.3°120.0°
C1CNH19120.4°120.0°
C1CC13C20170.0°174.0°
C1CC13H1453.5°54.0°
C1CNH16180.0°176.1°
C1CNH1760.0°60.0°
C15C14C13C92.0°127.0°
C15C14C13C2035.2°113.0°
C15C14C13H14152.7°7.0°
C14C15C16H20180.0°180.0°
C15C14C19H23177.9°180.0°
C9C8N3H5180.0°179.7°
C9C8N3C70.0°0.3°
C14C13CC20128.1°120.0°
C14C13CH14115.5°120.1°
C14C13CN179.0°173.9°
C14C13C20H14117.5°120.0°
C14C13C20C2579.5°70.6°
C14C13C20C21102.6°109.7°
C13C14C15H157.3°0.0°
C14C13CH1958.3°53.9°
C13C14C19H237.7°0.3°
C6C7N3C80.2°0.3°
C6C7N3H4180.0°180.0°
C13CNH19119.8°120.0°
CC13C20H14116.3°120.0°
CC13C20C2546.8°49.4°
CC13C20C21131.1°130.3°
C13CNH1660.2°63.9°
C13CNH1759.9°60.0°
NCC13C2050.9°54.0°
NCC13H1465.6°66.0°
CNH16H17120.0°123.9°
C13C20C25C21178.0°179.7°
C13C20C25C24178.0°179.7°
C13C20C21C22177.8°180.0°
C20C13CH1969.8°66.0°
C13C20C21H252.2°0.0°
C13C20C25H292.0°0.1°
C8N3C7H4179.7°179.7°
N3C8C9H7179.6°179.9°
N3C7C6H3179.8°179.9°
C7N3C8H5180.0°180.0°
C20C25C24H29180.0°179.6°
C20C25C24C230.2°0.6°
C25C20C21C220.1°0.2°
C25C20C13H14163.1°169.4°
C25C20C21H25179.8°179.7°
C20C25C24H28179.9°179.7°
C24C25C20C210.0°0.6°
C25C24C23H28180.0°179.7°
C25C24C23C220.2°0.3°
C25C24C23H27179.8°179.7°
C20C21C22H25180.0°179.9°
C20C21C22C230.1°0.1°
C21C20C13H1414.9°10.3°
C20C21C22H26179.9°180.0°
C21C20C25H29180.0°179.8°
C24C23C22C210.0°0.0°
C24C23C22H27180.0°180.0°
C24C23C22H26180.0°180.0°
C23C24C25H29179.8°179.8°
C21C22C23H26180.0°179.9°
C21C22C23H27180.0°180.0°
C23C22C21H25179.8°180.0°
C22C23C24H28179.9°180.0°
H1C4N2H628.0°120.0°
H2C4N2H6147.3°120.0°
H3C6C7H40.2°0.0°
H5C8C9H70.4°0.4°
H8C10C11H1083.3°88.2°
H8C10C11H1138.7°35.8°
H8C10C2H2427.3°21.0°
H9C10C11H1038.5°35.2°
H9C10C11H11160.5°159.1°
H9C10C2H24149.2°144.2°
H10C11C12H1235.0°86.2°
H10C11C12H1387.2°36.1°
H11C11C12H12156.9°37.7°
H11C11C12H1334.7°160.0°
H14C13CH19173.8°174.0°
H15C15C16H200.0°0.0°
H16NCH1959.6°56.0°
H17NCH19179.7°180.0°
H20C16C17H211.2°0.2°
H21C17C18H220.7°0.3°
H22C18C19H231.0°0.4°
H25C21C22H260.2°0.1°
H26C22C23H270.0°0.0°
H27C23C24H280.2°0.0°
H28C24C25H290.1°0.1°

223532

PDB entries from 2024-08-07

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