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79T

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N5C17trip1.14Å1.14Å
C17C13sing1.43Å1.43Å
C16N4sing1.46Å1.47Å
C13C12doub1.39Å1.35Å
C13C14sing1.47Å1.50Å
N4C15sing1.47Å1.47Å
N4C14sing1.35Å1.34Å
C12C11sing1.41Å1.41Å
C14O1doub1.22Å1.22Å
C11C10doub1.39Å1.34ÅAromatic
C11Osing1.35Å1.38ÅAromatic
C10C9sing1.39Å1.41ÅAromatic
OC8sing1.35Å1.39ÅAromatic
C9C8doub1.38Å1.35ÅAromatic
C8C7sing1.47Å1.44Å
C7N3doub1.31Å1.32ÅAromatic
C7N2sing1.37Å1.38ÅAromatic
N3Csing1.35Å1.37ÅAromatic
C19C23sing1.53Å1.53Å
C19C18sing1.53Å1.52Å
C23C22sing1.53Å1.51Å
N2C18sing1.46Å1.47Å
N2C1sing1.37Å1.42ÅAromatic
C18C20sing1.53Å1.52Å
CC4doub1.40Å1.39ÅAromatic
CC1sing1.41Å1.42ÅAromatic
C4Nsing1.31Å1.32ÅAromatic
C1C2doub1.40Å1.42ÅAromatic
C22C21sing1.53Å1.51Å
C20C21sing1.53Å1.53Å
NC3doub1.33Å1.36ÅAromatic
C2C3sing1.41Å1.42ÅAromatic
C2C5sing1.46Å1.44ÅAromatic
C3N1sing1.37Å1.36ÅAromatic
C5C6doub1.34Å1.35ÅAromatic
N1C6sing1.37Å1.38ÅAromatic
C4H1sing1.08Å1.08Å
C5H2sing1.08Å1.08Å
C6H3sing1.08Å1.08Å
N1H4sing0.97Å1.00Å
C9H5sing1.08Å1.08Å
C10H6sing1.08Å1.08Å
C12H7sing1.08Å1.08Å
C15H10sing1.09Å1.10Å
C15H11sing1.09Å1.10Å
C15H12sing1.09Å1.10Å
C16H13sing1.09Å1.10Å
C16H14sing1.09Å1.10Å
C16H15sing1.09Å1.10Å
C18H16sing1.09Å1.10Å
C20H17sing1.09Å1.10Å
C20H18sing1.09Å1.10Å
C21H19sing1.09Å1.10Å
C21H20sing1.09Å1.10Å
C22H21sing1.09Å1.10Å
C22H22sing1.09Å1.10Å
C23H23sing1.09Å1.10Å
C23H24sing1.09Å1.10Å
C19H25sing1.09Å1.10Å
C19H26sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N5C17C13177.7°179.9°
C17C13C12118.7°120.0°
C17C13C14120.3°120.0°
C16N4C15113.2°119.9°
C16N4C14127.3°120.1°
N4C16H13109.5°109.5°
N4C16H14109.5°109.4°
N4C16H15109.5°109.5°
C12C13C14120.9°120.0°
C13C12C11136.4°120.0°
C13C12H7111.8°120.0°
C13C14N4120.7°119.9°
C13C14O1117.2°120.0°
C15N4C14119.5°120.0°
N4C15H10109.5°109.4°
N4C15H11109.5°109.4°
N4C15H12109.4°109.5°
N4C14O1121.9°120.0°
C12C11C10126.6°125.9°
C12C11O123.3°125.9°
C11C12H7111.8°120.0°
C10C11O110.0°108.2°
C11C10C9107.3°106.8°
C11C10H6126.3°126.6°
C11OC8106.1°109.4°
C10C9C8107.2°107.0°
C10C9H5126.4°126.5°
C9C10H6126.4°126.6°
OC8C9109.4°108.6°
OC8C7119.4°125.7°
C9C8C7131.1°125.7°
C8C9H5126.4°126.5°
C8C7N3118.3°125.2°
C8C7N2128.2°125.2°
N3C7N2113.5°109.6°
C7N3C104.9°109.6°
C7N2C18126.8°126.5°
C7N2C1106.8°107.1°
N3CC4128.2°134.0°
N3CC1112.2°107.3°
C23C19C18110.8°109.5°
C19C23C22110.7°109.5°
C19C23H23109.2°109.5°
C19C23H24109.2°109.5°
C23C19H25109.1°109.5°
C23C19H26109.2°109.5°
C19C18N2111.7°109.5°
C19C18C20113.2°109.5°
C19C18H16106.1°109.5°
C18C19H25109.1°109.5°
C18C19H26109.1°109.4°
C23C22C21110.7°109.5°
C23C22H21109.2°109.5°
C23C22H22109.2°109.5°
C22C23H23109.1°109.5°
C22C23H24109.2°109.5°
C18N2C1126.3°126.4°
N2C18C20112.5°109.5°
N2C18H16106.7°109.5°
N2C1C102.6°106.4°
N2C1C2138.8°135.4°
C18C20C21110.3°109.5°
C20C18H16106.1°109.5°
C18C20H17109.2°109.4°
C18C20H18109.3°109.5°
C4CC1119.6°118.7°
CC4N124.4°121.1°
CC4H1117.8°119.4°
CC1C2118.6°118.3°
C4NC3115.5°122.5°
NC4H1117.8°119.5°
C1C2C3114.9°119.2°
C1C2C5138.2°134.6°
C22C21C20111.7°109.5°
C22C21H19108.9°109.5°
C22C21H20108.9°109.4°
C21C22H21109.2°109.5°
C21C22H22109.1°109.4°
C21C20H17109.2°109.5°
C21C20H18109.3°109.5°
C20C21H19108.9°109.5°
C20C21H20108.9°109.5°
NC3C2126.9°120.2°
NC3N1126.1°132.8°
C3C2C5106.9°106.3°
C2C3N1107.0°107.0°
C2C5C6106.5°106.9°
C2C5H2126.8°126.5°
C3N1C6109.9°110.1°
C3N1H4125.0°124.9°
C5C6N1109.8°109.8°
C6C5H2126.8°126.5°
C5C6H3125.1°125.1°
N1C6H3125.1°125.1°
C6N1H4125.0°125.0°
H10C15H11109.5°109.5°
H10C15H12109.4°109.5°
H11C15H12109.5°109.5°
H13C16H14109.5°109.4°
H13C16H15109.4°109.5°
H14C16H15109.5°109.5°
H17C20H18109.5°109.4°
H19C21H20109.5°109.5°
H21C22H22109.5°109.5°
H23C23H24109.5°109.4°
H25C19H26109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N5C17C13C120.3°94.6°
N5C17C13C14179.7°85.5°
C17C13C12C14180.0°179.9°
C17C13C14N450.6°95.0°
C17C13C12C11148.8°177.7°
C17C13C14O1125.3°85.0°
C17C13C12H731.2°2.3°
C16N4C14C1311.3°5.0°
C16N4C15C14176.8°180.0°
C16N4C14O1172.9°175.0°
C16N4C15H10180.0°115.0°
C16N4C15H1160.0°5.0°
C16N4C15H1260.0°125.0°
N4C16H13H14120.0°119.9°
N4C16H13H15120.0°120.1°
N4C16H14H15120.0°120.0°
C12C13C14N4129.4°85.1°
C13C12C11H7180.0°180.0°
C12C13C14O154.6°94.9°
C13C12C11C1018.6°6.4°
C13C12C11O157.4°173.2°
C13C14N4C15172.4°175.0°
C13C14N4O1175.8°180.0°
C14C13C12C1131.2°2.4°
C14C13C12H7148.8°177.6°
C15N4C14O13.4°5.0°
N4C15H10H11120.0°119.9°
N4C15H10H12120.0°120.0°
N4C15H11H12120.0°120.0°
C15N4C16H13180.0°95.2°
C15N4C16H1460.0°144.9°
C15N4C16H1560.0°24.9°
C14N4C15H103.2°65.0°
C14N4C15H11116.8°175.0°
C14N4C15H12123.2°55.0°
C14N4C16H133.5°84.8°
C14N4C16H14123.5°35.1°
C14N4C16H15116.5°155.1°
C12C11C10O176.5°179.7°
C12C11C10C9176.7°180.0°
C12C11OC8175.9°179.9°
C12C11C10H63.3°0.1°
C11C10C9H6180.0°179.9°
C10C11OC80.7°0.5°
C11C10C9C81.1°0.1°
C11C10C9H5178.9°180.0°
C10C11C12H7161.4°173.6°
OC11C10C90.2°0.3°
C11OC8C91.4°0.5°
C11OC8C7178.4°179.7°
OC11C10H6179.8°179.8°
OC11C12H722.6°6.8°
C10C9C8O1.5°0.2°
C10C9C8H5180.0°179.9°
C10C9C8C7178.3°180.0°
OC8C9C7179.8°179.8°
OC8C7N3137.0°162.1°
OC8C7N241.8°18.0°
OC8C9H5178.5°179.7°
C9C8C7N343.2°18.2°
C9C8C7N2138.0°161.7°
C8C9C10H6178.9°180.0°
C8C7N3N2179.0°179.9°
C8C7N3C177.3°179.9°
C8C7N2C181.9°0.1°
C8C7N2C1177.6°179.9°
C7C8C9H51.7°0.1°
N3C7N2C18179.3°180.0°
N3C7N2C11.3°0.0°
C7N3CC4176.1°180.0°
C7N3CC11.5°0.0°
N2C7N3C1.7°0.0°
C7N2C18C19115.0°65.5°
C7N2C18C1179.3°180.0°
C7N2C18C20116.5°54.6°
C7N2C1C0.3°0.0°
C7N2C1C2177.3°180.0°
C7N2C18H160.5°174.6°
N3CC1N20.7°0.0°
N3CC4C1177.4°180.0°
N3CC4N175.0°180.0°
N3CC1C2178.9°180.0°
N3CC4H15.0°0.2°
C23C19C18H25120.2°120.0°
C23C19C18H26120.2°120.0°
C19C23C22H23120.2°120.1°
C19C23C22H24120.2°120.0°
C23C19C18N2178.4°180.0°
C23C19C18C2053.5°60.0°
C19C23C22C2158.2°60.0°
C23C19C18H1662.5°60.0°
C19C23C22H21178.4°60.0°
C19C23C22H2262.0°179.9°
C19C23H23H24119.5°120.0°
C23C19H25H26119.4°120.0°
C18C19C23C2255.4°60.0°
C19C18N2C20128.5°120.0°
C19C18N2H16115.5°120.0°
C19C18N2C164.3°114.5°
C19C18C20H16116.0°120.0°
C19C18C20C2152.5°60.0°
C19C18C20H1767.6°60.1°
C19C18C20H18172.6°180.0°
C18C19C23H2364.7°180.0°
C18C19C23H24175.6°60.0°
C18C19H25H26119.4°120.0°
C23C22C21H21120.2°120.0°
C23C22C21H22120.2°120.0°
C23C22C21C2058.0°60.0°
C23C22C21H1962.3°180.0°
C23C22C21H20178.3°60.0°
C23C22H21H22119.5°120.0°
C22C23H23H24119.4°120.0°
C22C23C19H2564.8°180.0°
C22C23C19H26175.6°60.0°
N2C18C20H16116.3°120.0°
C18N2C1C179.7°180.0°
C18N2C1C22.1°0.0°
N2C18C20C21179.8°180.0°
N2C18C20H1760.1°59.9°
N2C18C20H1859.6°60.0°
N2C18C19H2561.4°60.0°
N2C18C19H2658.1°60.0°
C1N2C18C2064.2°125.4°
N2C1CC4177.0°180.0°
N2C1CC2178.2°180.0°
N2C1C2C3175.1°179.7°
N2C1C2C54.3°0.0°
C1N2C18H16179.9°5.4°
C18C20C21C2254.5°60.0°
C18C20C21H17120.1°120.0°
C18C20C21H18120.2°120.1°
C18C20H17H18119.6°120.0°
C18C20C21H1965.9°180.0°
C18C20C21H20174.8°60.0°
C20C18C19H2566.7°180.0°
C20C18C19H26173.7°60.0°
CC4NH1180.0°179.8°
C4CC1C21.1°0.0°
CC4NC34.3°0.3°
C1CC4N2.4°0.0°
CC1C2C32.2°0.2°
CC1C2C5178.4°180.0°
C1CC4H1177.6°179.7°
C4NC3C23.0°0.5°
C4NC3N1178.2°180.0°
C1C2C3N0.2°0.5°
C1C2C3C5179.6°179.8°
C1C2C3N1178.8°179.9°
C1C2C5C6178.3°180.0°
C1C2C5H21.8°0.3°
C22C21C20H19120.3°120.0°
C22C21C20H20120.3°120.0°
C22C21C20H1765.6°60.0°
C22C21C20H18174.6°180.0°
C22C21H19H20119.0°120.0°
C21C22H21H22119.4°120.0°
C21C22C23H2362.0°180.0°
C21C22C23H24178.3°60.0°
C21C20C18H1663.5°60.0°
C21C20H17H18119.6°120.0°
C20C21H19H20119.0°120.0°
C20C21C22H21178.2°60.0°
C20C21C22H2262.2°180.0°
NC3C2N1178.9°179.6°
NC3C2C5179.7°179.7°
NC3N1C6179.1°179.4°
C3NC4H1175.7°180.0°
NC3N1H40.9°0.3°
C3C2C5C61.1°0.2°
C2C3N1C60.2°0.1°
C3C2C5H2178.8°179.9°
C2C3N1H4179.8°179.8°
C5C2C3N10.8°0.1°
C2C5C6H2180.0°179.7°
C2C5C6N11.1°0.3°
C2C5C6H3178.9°179.7°
C3N1C6C50.6°0.3°
C3N1C6H4180.0°179.7°
C3N1C6H3179.4°179.7°
C5C6N1H3180.0°180.0°
C5C6N1H4179.4°180.0°
N1C6C5H2178.9°180.0°
H2C5C6H31.1°0.0°
H3C6N1H40.6°0.1°
H5C9C10H61.1°0.1°
H10C15H11H12120.0°120.1°
H13C16H14H15120.0°120.0°
H16C18C20H17176.4°180.0°
H16C18C20H1856.6°60.0°
H16C18C19H25177.3°60.0°
H16C18C19H2657.7°180.0°
H17C20C21H19174.0°60.0°
H17C20C21H2054.7°180.0°
H18C20C21H1954.3°59.9°
H18C20C21H2065.0°60.1°
H19C21C22H2157.9°60.0°
H19C21C22H22177.5°60.0°
H20C21C22H2161.5°180.0°
H20C21C22H2258.1°60.0°
H21C22C23H2358.2°60.0°
H21C22C23H2461.5°180.0°
H22C22C23H23177.8°60.0°
H22C22C23H2458.2°60.0°
H23C23C19H25175.1°60.0°
H23C23C19H2655.5°60.0°
H24C23C19H2555.4°60.0°
H24C23C19H2664.2°180.0°

222926

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