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8M6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C21C22doub1.38Å1.38ÅAromatic
C21N5sing1.32Å1.34ÅAromatic
C22C23sing1.39Å1.38ÅAromatic
N5C20doub1.32Å1.35ÅAromatic
O3C18doub1.21Å1.22Å
C23C19doub1.39Å1.40ÅAromatic
C20C19sing1.39Å1.43ÅAromatic
C20C24sing1.51Å1.50Å
C19N4sing1.40Å1.42Å
C18N4sing1.35Å1.35Å
C18C17sing1.51Å1.50Å
C15C16sing1.41Å1.41ÅAromatic
C15C14doub1.35Å1.37ÅAromatic
C16C13doub1.34Å1.34ÅAromatic
S2C17sing1.81Å1.80Å
S2C1sing1.76Å1.76Å
C14O2sing1.34Å1.35ÅAromatic
C13O2sing1.34Å1.37ÅAromatic
C13C12sing1.51Å1.49Å
C1N1doub1.32Å1.29Å
C1N2sing1.36Å1.39Å
N1C2sing1.35Å1.35Å
C12N2sing1.47Å1.47Å
N2C4sing1.36Å1.41Å
C2S1sing1.75Å1.72ÅAromatic
C2C3doub1.40Å1.37ÅAromatic
S1C5sing1.76Å1.73ÅAromatic
C4C3sing1.43Å1.41Å
C4O4doub1.22Å1.23Å
C3C6sing1.45Å1.44ÅAromatic
C5C6doub1.34Å1.36ÅAromatic
C5C7sing1.52Å1.48Å
C6C9sing1.52Å1.49Å
C7N3sing1.47Å1.44Å
C9C8sing1.53Å1.50Å
O1C10doub1.21Å1.25Å
N3C10sing1.35Å1.33Å
N3C8sing1.47Å1.46Å
C10C11sing1.51Å1.48Å
C7H1sing1.09Å1.10Å
C7H2sing1.09Å1.10Å
C8H3sing1.09Å1.10Å
C8H4sing1.09Å1.10Å
C15H5sing1.08Å1.08Å
C17H6sing1.09Å1.10Å
C17H7sing1.09Å1.10Å
C21H8sing1.08Å1.08Å
C22H9sing1.08Å1.08Å
C24H10sing1.09Å1.10Å
C24H11sing1.09Å1.10Å
C24H12sing1.09Å1.10Å
C9H13sing1.09Å1.10Å
C9H14sing1.09Å1.10Å
C11H15sing1.09Å1.10Å
C11H16sing1.09Å1.10Å
C11H17sing1.09Å1.10Å
C12H18sing1.09Å1.10Å
C12H19sing1.09Å1.10Å
C14H20sing1.08Å1.08Å
C16H21sing1.08Å1.08Å
N4H22sing0.97Å1.00Å
C23H23sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C22C21N5123.8°120.9°
C21C22C23118.8°119.3°
C22C21H8118.1°119.5°
C21C22H9120.6°120.4°
C21N5C20118.8°121.8°
N5C21H8118.1°119.6°
C22C23C19119.3°118.3°
C23C22H9120.6°120.3°
C22C23H23120.3°120.9°
N5C20C19120.9°120.7°
N5C20C24116.7°119.7°
O3C18N4123.9°120.0°
O3C18C17120.7°120.0°
C23C19C20118.4°119.0°
C23C19N4122.2°120.5°
C19C23H23120.3°120.8°
C19C20C24122.4°119.7°
C20C19N4119.4°120.5°
C20C24H10109.5°109.5°
C20C24H11109.5°109.5°
C20C24H12109.5°109.5°
C19N4C18124.9°120.0°
C19N4H22117.5°120.0°
N4C18C17115.3°120.0°
C18N4H22117.6°120.0°
C18C17S2104.4°109.5°
C18C17H6110.7°109.5°
C18C17H7110.7°109.5°
C16C15C14105.8°106.8°
C15C16C13107.7°106.9°
C16C15H5127.1°126.6°
C15C16H21126.2°126.6°
C15C14O2109.8°108.4°
C14C15H5127.1°126.5°
C15C14H20125.1°125.8°
C16C13O2109.2°108.4°
C16C13C12133.1°125.8°
C13C16H21126.1°126.6°
C17S2C1104.4°100.0°
S2C17H6110.7°109.4°
S2C17H7110.7°109.5°
S2C1N1117.4°118.3°
S2C1N2119.8°118.3°
C14O2C13107.4°109.5°
O2C14H20125.1°125.8°
O2C13C12117.6°125.8°
C13C12N2100.7°109.4°
C13C12H18111.6°109.5°
C13C12H19111.6°109.5°
N1C1N2122.8°123.4°
C1N1C2116.5°117.9°
C1N2C12122.0°119.0°
C1N2C4121.3°122.0°
N1C2S1121.5°128.8°
N1C2C3126.4°121.6°
C12N2C4116.6°119.0°
N2C12H18111.6°109.5°
N2C12H19111.6°109.5°
N2C4C3115.4°115.6°
N2C4O4120.0°122.2°
S1C2C3112.0°109.7°
C2S1C590.9°92.3°
C2C3C4117.5°119.4°
C2C3C6112.3°113.0°
S1C5C6112.5°111.5°
S1C5C7121.8°124.3°
C3C4O4124.4°122.2°
C4C3C6129.9°127.5°
C3C6C5111.5°113.4°
C3C6C9128.0°123.1°
C6C5C7125.7°124.2°
C5C6C9120.2°123.4°
C5C7N3106.0°107.8°
C5C7H1110.3°109.8°
C5C7H2110.3°109.8°
C6C9C8109.2°109.3°
C6C9H13109.5°109.5°
C6C9H14109.5°109.5°
C7N3C10118.2°121.1°
C7N3C8113.3°117.7°
N3C7H1110.3°109.8°
N3C7H2110.3°109.8°
C9C8N3106.7°108.7°
C9C8H3110.2°109.6°
C9C8H4110.2°109.7°
C8C9H13109.5°109.5°
C8C9H14109.5°109.5°
O1C10N3121.0°120.0°
O1C10C11120.8°120.0°
C10N3C8128.3°121.2°
N3C10C11117.9°120.0°
N3C8H3110.1°109.6°
N3C8H4110.1°109.6°
C10C11H15109.5°109.5°
C10C11H16109.5°109.4°
C10C11H17109.5°109.5°
H1C7H2109.5°109.9°
H3C8H4109.5°109.6°
H6C17H7109.5°109.4°
H10C24H11109.5°109.4°
H10C24H12109.5°109.5°
H11C24H12109.4°109.5°
H13C9H14109.5°109.5°
H15C11H16109.5°109.5°
H15C11H17109.4°109.5°
H16C11H17109.4°109.5°
H18C12H19109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C22C21N5H8180.0°179.1°
C21C22C23H9180.0°179.1°
C22C21N5C200.0°0.6°
C21C22C23C190.7°0.5°
C21C22C23H23179.2°180.0°
N5C21C22C230.1°0.8°
C21N5C20C190.6°0.0°
C21N5C20C24179.8°179.7°
N5C21C22H9179.9°180.0°
C22C23C19H23180.0°179.5°
C22C23C19C201.3°0.0°
C22C23C19N4178.7°180.0°
C23C22C21H8180.0°180.0°
N5C20C19C231.3°0.3°
N5C20C19C24179.5°179.7°
N5C20C19N4178.7°179.7°
C20N5C21H8180.0°179.7°
N5C20C24H100.0°90.3°
N5C20C24H11120.0°29.7°
N5C20C24H12120.0°149.7°
O3C18N4C1917.6°5.6°
O3C18N4C17179.8°180.0°
O3C18C17S221.9°0.0°
O3C18C17H697.3°120.0°
O3C18C17H7141.1°120.0°
O3C18N4H22162.4°174.4°
C23C19C20N4177.4°180.0°
C23C19C20C24179.2°180.0°
C23C19N4C18112.1°24.6°
C19C23C22H9179.2°179.7°
C23C19N4H2267.9°155.4°
C20C19N4C1865.2°155.4°
C19C20C24H10179.5°90.0°
C19C20C24H1160.4°150.0°
C19C20C24H1259.5°30.0°
C20C19N4H22114.8°24.6°
C20C19C23H23178.7°179.5°
C24C20C19N41.8°0.0°
C20C24H10H11120.0°120.0°
C20C24H10H12120.0°120.0°
C20C24H11H12120.0°120.0°
C19N4C18H22180.0°180.0°
C19N4C18C17162.6°174.4°
N4C19C23H231.3°0.5°
N4C18C17S2157.9°180.0°
N4C18C17H682.9°60.0°
N4C18C17H738.7°60.0°
C18C17S2H6119.2°120.0°
C18C17S2H7119.2°120.1°
C18C17S2C193.0°180.0°
C18C17H6H7122.3°120.1°
C17C18N4H2217.4°5.6°
C16C15C14H5180.0°179.5°
C15C16C13H21180.0°179.6°
C16C15C14O21.2°0.3°
C15C16C13O22.2°0.4°
C15C16C13C12177.6°179.8°
C16C15C14H20178.8°179.9°
C14C15C16C132.1°0.4°
C15C14O2H20180.0°179.8°
C15C14O2C130.1°0.0°
C14C15C16H21177.9°180.0°
C16C13O2C141.4°0.3°
C16C13O2C12176.2°179.8°
C16C13C12N278.1°89.7°
C13C16C15H5177.9°180.0°
C16C13C12H18163.4°150.2°
C16C13C12H1940.5°30.2°
C17S2C1N157.7°0.0°
C17S2C1N2123.8°180.0°
S2C17H6H7122.4°120.0°
S2C1N1N2178.4°180.0°
S2C1N1C2178.5°180.0°
S2C1N2C123.8°0.1°
S2C1N2C4179.2°179.9°
C1S2C17H6147.8°60.0°
C1S2C17H726.2°60.0°
C14O2C13C12177.7°179.9°
O2C14C15H5178.8°179.8°
O2C13C12N297.0°90.0°
O2C13C12H1821.5°30.0°
O2C13C12H19144.4°150.0°
C13O2C14H20179.9°179.8°
O2C13C16H21177.8°180.0°
C13C12N2C192.4°90.0°
C13C12N2H18118.6°120.0°
C13C12N2H19118.6°120.0°
C13C12N2C484.7°90.0°
C13C12H18H19124.1°120.0°
C12C13C16H212.4°0.2°
N1C1N2C12174.6°180.0°
N1C1N2C42.4°0.1°
C1N1C2S1179.7°179.9°
C1N1C2C34.2°0.1°
N2C1N1C23.0°0.0°
C1N2C12C4177.1°180.0°
C1N2C4C32.3°0.0°
C1N2C4O4178.3°180.0°
C1N2C12H18149.0°30.0°
C1N2C12H1926.2°150.0°
N1C2S1C3176.1°180.0°
N1C2S1C5176.5°180.0°
N1C2C3C44.4°0.2°
N1C2C3C6179.6°179.7°
C12N2C4C3174.8°180.0°
C12N2C4O41.2°0.0°
N2C12H18H19124.1°120.0°
N2C4C3C23.1°0.1°
N2C4C3O4175.8°180.0°
N2C4C3C6177.4°179.8°
C4N2C12H1833.8°150.0°
C4N2C12H19156.7°30.0°
S1C2C3C4179.8°179.8°
S1C2C3C64.5°0.2°
C2S1C5C68.6°0.2°
C2S1C5C7173.3°179.9°
C3C2S1C57.4°0.0°
C2C3C4C6174.3°179.9°
C2C3C4O4178.9°179.9°
C2C3C6C52.0°0.4°
C2C3C6C9175.8°179.5°
S1C5C6C37.6°0.4°
S1C5C6C7178.0°179.9°
S1C5C6C9178.1°179.5°
S1C5C7N3162.8°169.3°
S1C5C7H177.8°49.7°
S1C5C7H243.3°71.1°
C4C3C6C5172.6°179.7°
C4C3C6C91.2°0.4°
O4C4C3C66.8°0.2°
C3C6C5C9174.3°180.0°
C3C6C5C7174.4°179.7°
C3C6C9C8154.6°161.0°
C3C6C9H1385.4°79.0°
C3C6C9H1434.7°41.1°
C6C5C7N315.1°10.6°
C5C6C9C818.6°19.0°
C6C5C7H1104.4°130.2°
C6C5C7H2134.6°109.0°
C5C6C9H13101.3°100.9°
C5C6C9H14138.6°139.0°
C7C5C6C90.1°0.4°
C5C7N3H1119.4°119.6°
C5C7N3H2119.5°119.6°
C5C7N3C10124.5°136.1°
C5C7N3C852.2°43.8°
C5C7H1H2121.6°120.8°
C6C9C8H13119.9°120.0°
C6C9C8H14119.9°120.0°
C6C9C8N351.5°46.9°
C6C9C8H3171.0°72.9°
C6C9C8H468.1°166.7°
C6C9H13H14120.1°120.1°
C7N3C8C974.2°64.8°
C7N3C10O13.9°180.0°
C7N3C10C8176.1°180.0°
C7N3C10C11176.6°0.0°
N3C7H1H2121.6°120.8°
C7N3C8H3166.2°55.0°
C7N3C8H445.3°175.3°
C9C8N3C10102.0°115.2°
C9C8N3H3119.6°119.8°
C9C8N3H4119.5°119.9°
C9C8H3H4121.3°120.4°
C8C9H13H14120.1°120.0°
O1C10N3C11172.7°179.9°
O1C10N3C8180.0°0.1°
O1C10C11H150.0°120.0°
O1C10C11H16120.0°0.0°
O1C10C11H17120.0°119.9°
C10N3C7H1116.1°16.6°
C10N3C7H25.0°104.3°
C10N3C8H317.6°125.0°
C10N3C8H4138.4°4.7°
N3C10C11H15172.7°60.0°
N3C10C11H1667.3°179.9°
N3C10C11H1752.7°60.0°
C8N3C10C117.3°180.0°
C8N3C7H167.3°163.4°
C8N3C7H2171.7°75.7°
N3C8H3H4121.3°120.3°
N3C8C9H1368.5°73.1°
N3C8C9H14171.4°166.9°
C10C11H15H16120.0°120.0°
C10C11H15H17120.0°120.0°
C10C11H16H17120.0°120.0°
H3C8C9H1351.1°167.1°
H3C8C9H1469.0°47.0°
H4C8C9H13172.0°46.8°
H4C8C9H1451.9°73.3°
H5C15C14H201.3°0.4°
H5C15C16H212.1°0.5°
H8C21C22H90.0°0.9°
H9C22C23H230.8°0.8°
H10C24H11H12120.0°120.0°
H15C11H16H17120.0°120.0°

222415

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