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740

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C6doub1.39Å1.41ÅAromatic
C1C2sing1.39Å1.44ÅAromatic
C1N1sing1.40Å1.42Å
C2C3doub1.38Å1.45ÅAromatic
C2H2sing1.08Å1.08Å
C3C4sing1.38Å1.43ÅAromatic
C3H3sing1.08Å1.08Å
C4C7sing1.51Å1.50Å
C4C5doub1.38Å1.40ÅAromatic
C5C6sing1.38Å1.40ÅAromatic
C5H5sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C7C8sing1.51Å1.55Å
C7H71sing1.09Å1.10Å
C7H72sing1.09Å1.10Å
C8O24doub1.21Å1.22Å
C8N9sing1.35Å1.37Å
N9C10sing1.40Å1.49Å
N9HN9sing0.97Å1.00Å
C10N11doub1.31Å1.33ÅAromatic
C10C18sing1.46Å1.48ÅAromatic
N11N12sing1.40Å1.35ÅAromatic
N12C13sing1.37Å1.37ÅAromatic
N12H12sing0.97Å1.00Å
C13C14sing1.39Å1.39ÅAromatic
C13C18doub1.41Å1.48ÅAromatic
C14C15doub1.37Å1.41ÅAromatic
C14H14sing1.08Å1.08Å
C15C16sing1.40Å1.44ÅAromatic
C15H15sing1.08Å1.08Å
C16C17doub1.38Å1.43ÅAromatic
C16N19sing1.40Å1.38Å
C17C18sing1.40Å1.40ÅAromatic
C17H17sing1.08Å1.08Å
N19C22sing1.47Å1.46Å
N19S1sing1.67Å1.60Å
C22C9sing1.54Å1.57Å
C22H221sing1.09Å1.10Å
C22H222sing1.09Å1.10Å
C9C12sing1.56Å1.53Å
C9H91sing1.09Å1.10Å
C9H92sing1.09Å1.10Å
S1C12sing1.84Å1.78Å
S1O2doub1.42Å1.51Å
S1O3doub1.42Å1.50Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C11C23sing1.53Å1.56Å
C11N1sing1.47Å1.51Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
N1C19sing1.47Å1.49Å
C19C20sing1.53Å1.55Å
C19H191sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C20C21sing1.53Å1.54Å
C20H201sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C21C23sing1.53Å1.54Å
C21H211sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
C23H231sing1.09Å1.10Å
C23H232sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C6C1C2119.4°119.8°
C6C1N1118.7°120.1°
C1C6C5121.3°120.0°
C1C6H6119.3°120.0°
C2C1N1121.9°120.1°
C1C2C3119.1°120.0°
C1C2H2120.5°120.1°
C1N1C11118.9°110.9°
C1N1C19118.4°111.0°
C3C2H2120.4°120.0°
C2C3C4119.2°120.0°
C2C3H3120.4°120.0°
C4C3H3120.4°120.0°
C3C4C7121.7°119.9°
C3C4C5120.0°120.2°
C7C4C5118.3°119.9°
C4C7C8112.1°109.4°
C4C7H71108.6°109.5°
C4C7H72108.0°109.5°
C4C5C6120.9°120.0°
C4C5H5119.5°120.0°
C6C5H5119.6°120.0°
C5C6H6119.3°120.0°
C8C7H71108.6°109.5°
C8C7H72108.0°109.5°
C7C8O24120.1°120.0°
C7C8N9112.6°120.0°
H71C7H72111.5°109.4°
O24C8N9127.3°120.0°
C8N9C10134.5°120.0°
C8N9HN9112.7°120.0°
C10N9HN9112.7°120.0°
N9C10N11126.2°126.1°
N9C10C18127.3°126.1°
N11C10C18106.5°107.7°
C10N11N12111.3°110.0°
C10C18C13105.7°106.3°
C10C18C17136.5°133.9°
N11N12C13112.3°109.2°
N11N12H12123.9°125.4°
C13N12H12123.8°125.5°
N12C13C14134.0°133.6°
N12C13C18104.3°106.8°
C14C13C18121.7°119.7°
C13C14C15119.3°120.1°
C13C14H14120.3°120.0°
C13C18C17117.8°119.7°
C15C14H14120.4°119.9°
C14C15C16120.5°120.7°
C14C15H15119.7°119.6°
C16C15H15119.7°119.7°
C15C16C17119.8°120.3°
C15C16N19119.0°119.8°
C17C16N19121.1°119.8°
C16C17C18120.8°119.5°
C16C17H17119.6°120.3°
C16N19C22125.7°126.3°
C16N19S1122.3°126.3°
C18C17H17119.6°120.3°
C22N19S1112.1°107.4°
N19C22C9108.0°110.1°
N19C22H221110.0°109.4°
N19C22H222110.3°109.3°
N19S1C1299.9°99.4°
N19S1O2109.0°105.2°
N19S1O3101.9°105.1°
C9C22H221110.0°109.4°
C9C22H222110.3°109.3°
C22C9C12110.0°104.3°
C22C9H91109.3°110.5°
C22C9H92109.2°110.4°
H221C22H222108.3°109.3°
C12C9H91109.3°110.5°
C12C9H92109.2°110.5°
C9C12S1100.5°100.8°
C9C12H121112.6°111.1°
C9C12H122114.4°111.2°
H91C9H92109.9°110.5°
C12S1O2110.7°111.3°
C12S1O3112.9°111.2°
S1C12H121112.6°111.3°
S1C12H122114.5°111.0°
O2S1O3120.0°121.8°
H121C12H122102.8°111.0°
C23C11N1115.5°109.5°
C23C11H111107.5°109.4°
C23C11H112106.1°109.5°
C11C23C21111.2°109.3°
C11C23H231108.9°109.5°
C11C23H232108.5°109.5°
N1C11H111107.5°109.5°
N1C11H112106.1°109.5°
C11N1C19122.7°111.2°
H111C11H112114.3°109.4°
N1C19C20114.9°109.5°
N1C19H191107.7°109.5°
N1C19H192106.4°109.5°
C20C19H191107.7°109.4°
C20C19H192106.5°109.5°
C19C20C21109.9°109.3°
C19C20H201109.3°109.5°
C19C20H202109.2°109.5°
H191C19H192113.8°109.4°
C21C20H201109.3°109.6°
C21C20H202109.2°109.5°
C20C21C23108.2°109.2°
C20C21H211109.9°109.5°
C20C21H212110.2°109.5°
H201C20H202109.9°109.5°
C23C21H211109.9°109.5°
C23C21H212110.2°109.5°
C21C23H231108.9°109.5°
C21C23H232108.5°109.5°
H211C21H212108.5°109.5°
H231C23H232110.8°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C6C1C2N1179.5°179.7°
C6C1C2C30.0°0.0°
C6C1C2H2180.0°179.9°
C1C6C5C40.0°0.0°
C1C6C5H6180.0°179.9°
C1C6C5H5180.0°180.0°
C6C1N1C1157.7°180.0°
C6C1N1C19119.6°55.8°
C1C2C3H2180.0°179.9°
C1C2C3C40.0°0.0°
C1C2C3H3180.0°180.0°
C2C1C6C50.0°0.0°
C2C1C6H6180.0°179.9°
C2C1N1C11122.7°0.3°
C2C1N1C1959.9°124.5°
N1C1C2C3179.5°179.7°
N1C1C2H20.5°0.3°
N1C1C6C5179.5°179.7°
N1C1C6H60.5°0.2°
C1N1C11C23170.8°174.2°
C1N1C11C19177.2°124.1°
C1N1C11H11169.2°54.2°
C1N1C11H11253.6°65.8°
C1N1C19C20166.0°174.2°
C1N1C19H19174.0°65.8°
C1N1C19H19248.5°54.2°
C2C3C4H3180.0°180.0°
C2C3C4C7179.6°180.0°
C2C3C4C50.0°0.1°
H2C2C3C4180.0°180.0°
H2C2C3H30.0°0.0°
C3C4C7C5179.6°179.9°
C3C4C5C60.0°0.1°
C3C4C5H5180.0°180.0°
C3C4C7C870.7°90.1°
C3C4C7H7149.3°150.0°
C3C4C7H72170.4°30.0°
H3C3C4C70.4°0.0°
H3C3C4C5180.0°179.9°
C7C4C5C6179.6°180.0°
C7C4C5H50.4°0.1°
C4C7C8H71120.0°120.0°
C4C7C8H72118.9°120.0°
C4C7H71H72118.9°120.0°
C4C7C8O2459.6°0.1°
C4C7C8N9122.1°180.0°
C4C5C6H5180.0°180.0°
C4C5C6H6179.9°179.9°
C5C4C7C8108.9°90.0°
C5C4C7H71131.1°29.9°
C5C4C7H7210.0°149.9°
H5C5C6H60.1°0.1°
C8C7H71H72118.9°120.0°
C7C8O24N9178.1°179.9°
C7C8N9C10177.6°180.0°
C7C8N9HN92.4°0.1°
H71C7C8O2460.4°120.0°
H71C7C8N9117.9°60.0°
H72C7C8O24178.5°120.0°
H72C7C8N93.2°60.0°
O24C8N9C100.6°0.1°
O24C8N9HN9179.4°180.0°
C8N9C10HN9180.0°179.9°
C8N9C10N11179.2°0.1°
C8N9C10C181.8°179.7°
N9C10N11C18179.1°179.8°
N9C10N11N12179.3°180.0°
N9C10C18C13179.4°179.8°
N9C10C18C170.4°0.7°
HN9N9C10N110.8°180.0°
HN9N9C10C18178.1°0.2°
C10N11N12C130.1°0.0°
C10N11N12H12179.9°180.0°
N11C10C18C130.3°0.4°
N11C10C18C17179.5°179.5°
C18C10N11N120.2°0.2°
C10C18C13N120.2°0.4°
C10C18C13C14179.9°179.9°
C10C18C13C17179.8°179.3°
C10C18C17C16179.8°179.7°
C10C18C17H170.2°0.6°
N11N12C13H12180.0°180.0°
N11N12C13C14180.0°179.9°
N11N12C13C180.1°0.3°
N12C13C14C18179.9°179.6°
N12C13C14C15179.6°180.0°
N12C13C14H140.4°0.2°
N12C13C18C17179.6°179.7°
H12N12C13C140.0°0.1°
H12N12C13C18179.9°179.8°
C13C14C15H14180.0°179.9°
C13C14C15C160.0°0.0°
C13C14C15H15180.0°179.9°
C14C13C18C170.3°0.6°
C18C13C14C150.3°0.4°
C18C13C14H14179.7°179.8°
C13C18C17C160.0°0.6°
C13C18C17H17180.0°179.7°
C14C15C16H15180.0°180.0°
C14C15C16C170.3°0.0°
C14C15C16N19179.5°180.0°
H14C14C15C16180.0°179.9°
H14C14C15H150.0°0.0°
C15C16C17N19179.8°179.9°
C15C16C17C180.3°0.3°
C15C16C17H17179.7°180.0°
C15C16N19C22133.8°25.0°
C15C16N19S145.7°155.3°
H15C15C16C17179.7°179.9°
H15C15C16N190.5°0.0°
C16C17C18H17180.0°179.7°
C17C16N19C2246.4°155.0°
C17C16N19S1134.1°24.6°
N19C16C17C18179.5°179.7°
N19C16C17H170.5°0.0°
C16N19C22S1179.6°179.7°
C16N19C22C9179.8°151.0°
C16N19C22H22159.8°30.9°
C16N19C22H22259.5°88.8°
C16N19S1C12162.9°176.2°
C16N19S1O246.8°68.5°
C16N19S1O380.9°61.2°
N19C22C9H221120.0°120.2°
N19C22C9H222120.6°120.1°
N19C22H221H222120.6°119.7°
N19C22C9C1221.0°45.2°
N19C22C9H9198.9°73.5°
N19C22C9H92140.8°163.9°
C22N19S1C1217.5°4.1°
C22N19S1O2133.6°111.2°
C22N19S1O398.7°119.1°
S1N19C22C90.3°29.3°
S1N19C22H221119.7°149.4°
S1N19C22H222120.9°90.9°
N19S1C12C927.9°20.8°
N19S1C12O2114.8°110.4°
N19S1C12O3107.5°110.3°
N19S1O2O3116.8°119.1°
N19S1C12H121147.9°138.7°
N19S1C12H12295.2°97.0°
C9C22H221H222120.6°119.7°
C22C9C12H91120.0°118.7°
C22C9C12H92119.8°118.6°
C22C9H91H92119.8°122.5°
C22C9C12S130.0°37.7°
C22C9C12H121150.0°155.8°
C22C9C12H12293.1°80.0°
H221C22C9C12141.0°165.4°
H221C22C9H9121.1°46.7°
H221C22C9H9299.2°75.9°
H222C22C9C1299.6°74.9°
H222C22C9H91140.5°166.3°
H222C22C9H9220.2°43.7°
C12C9H91H92119.8°122.6°
C9C12S1H121120.0°117.9°
C9C12S1H122123.1°117.8°
C9C12S1O2142.7°131.3°
C9C12S1O379.6°89.5°
C9C12H121H122123.6°124.3°
H91C9C12S190.0°81.0°
H91C9C12H12130.0°37.1°
H91C9C12H122146.9°161.3°
H92C9C12S1149.8°156.4°
H92C9C12H12190.2°85.6°
H92C9C12H12226.7°38.6°
C12S1O2O3134.3°134.2°
S1C12H121H122123.6°124.2°
O2S1C12H12197.3°110.8°
O2S1C12H12219.6°13.4°
O3S1C12H12140.4°28.4°
O3S1C12H122157.3°152.6°
C23C11N1H111120.0°120.0°
C23C11N1H112117.3°120.0°
C23C11H111H112117.5°119.9°
C23C11N1C1911.9°61.8°
C11C23C21C2061.6°57.6°
C11C23C21H231120.0°119.9°
C11C23C21H232119.3°120.0°
C11C23C21H21158.4°62.3°
C11C23C21H212177.9°177.6°
C11C23H231H232119.3°120.1°
N1C11H111H112117.5°120.0°
C11N1C19C2016.7°61.7°
C11N1C19H191103.3°58.2°
C11N1C19H192134.3°178.2°
N1C11C23C2134.0°59.2°
N1C11C23H23186.0°60.8°
N1C11C23H232153.2°179.2°
H111C11N1C19108.1°178.3°
H111C11C23C2186.0°179.2°
H111C11C23H231154.0°59.3°
H111C11C23H23233.3°60.8°
H112C11N1C19129.2°58.3°
H112C11C23C21151.2°60.9°
H112C11C23H23131.2°179.2°
H112C11C23H23289.5°59.1°
N1C19C20H191120.0°120.0°
N1C19C20H192117.6°120.1°
N1C19H191H192117.8°120.0°
N1C19C20C2143.4°59.1°
N1C19C20H201163.4°179.2°
N1C19C20H20276.4°60.8°
C20C19H191H192117.8°120.0°
C19C20C21H201120.0°120.0°
C19C20C21H202119.8°119.9°
C19C20H201H202119.8°120.1°
C19C20C21C2366.5°57.6°
C19C20C21H21153.5°62.3°
C19C20C21H212172.9°177.5°
H191C19C20C2176.6°60.9°
H191C19C20H20143.4°59.2°
H191C19C20H202163.6°179.2°
H192C19C20C21161.0°179.2°
H192C19C20H20179.0°60.8°
H192C19C20H20241.2°59.3°
C21C20H201H202119.8°120.1°
C20C21C23H211120.0°119.9°
C20C21C23H212120.5°120.0°
C20C21H211H212120.5°120.2°
C20C21C23H23158.5°62.3°
C20C21C23H232179.2°177.6°
H201C20C21C23173.5°177.6°
H201C20C21H21166.5°57.7°
H201C20C21H21252.9°62.5°
H202C20C21C2353.3°62.3°
H202C20C21H211173.3°177.8°
H202C20C21H21267.3°57.7°
C23C21H211H212120.6°120.1°
C21C23H231H232119.3°120.1°
H211C21C23H231178.5°177.8°
H211C21C23H23260.8°57.7°
H212C21C23H23162.1°57.6°
H212C21C23H23258.7°62.4°

222624

PDB entries from 2024-07-17

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