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93U

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C6C5sing1.51Å1.52Å
OC7doub1.22Å1.19Å
C5Ndoub1.32Å1.35ÅAromatic
C5C4sing1.40Å1.49ÅAromatic
NC1sing1.32Å1.35ÅAromatic
C7C4sing1.47Å1.49Å
C7O1sing1.35Å1.43Å
C4C3doub1.41Å1.50ÅAromatic
C8O1sing1.45Å1.41Å
C8C9sing1.53Å1.52Å
C1Csing1.51Å1.50Å
C1C2doub1.40Å1.49ÅAromatic
C3C2sing1.41Å1.48ÅAromatic
C3C18sing1.48Å1.51Å
C14C13doub1.38Å1.39ÅAromatic
C14C15sing1.38Å1.40ÅAromatic
N1C9sing1.47Å1.47Å
N1C10sing1.47Å1.49Å
N1C11sing1.47Å1.49Å
C2C24sing1.47Å1.49Å
C13C12sing1.38Å1.39ÅAromatic
C23C18doub1.40Å1.41ÅAromatic
C23C22sing1.38Å1.41ÅAromatic
C15C16doub1.38Å1.40ÅAromatic
C18C19sing1.40Å1.37ÅAromatic
C12C11sing1.51Å1.52Å
C12C17doub1.38Å1.37ÅAromatic
C22C21doub1.38Å1.37ÅAromatic
C24O4doub1.21Å1.23Å
C24O5sing1.35Å1.44Å
C16C17sing1.38Å1.37ÅAromatic
C19C20doub1.38Å1.39ÅAromatic
O5C25sing1.45Å1.42Å
C21C20sing1.38Å1.40ÅAromatic
C20N2sing1.48Å1.40Å
N2O2doub1.22Å1.38Å
N2O3sing1.22Å1.39Å
C25H1sing1.09Å1.10Å
C25H2sing1.09Å1.10Å
C25H3sing1.09Å1.10Å
C23H4sing1.08Å1.08Å
C22H5sing1.08Å1.08Å
C21H6sing1.08Å1.08Å
C19H7sing1.08Å1.08Å
C6H8sing1.09Å1.10Å
C6H9sing1.09Å1.10Å
C6H10sing1.09Å1.10Å
CH11sing1.09Å1.10Å
CH12sing1.09Å1.10Å
CH13sing1.09Å1.10Å
C8H14sing1.09Å1.10Å
C8H15sing1.09Å1.10Å
C9H16sing1.09Å1.10Å
C9H17sing1.09Å1.10Å
C10H19sing1.09Å1.10Å
C10H20sing1.09Å1.10Å
C10H21sing1.09Å1.10Å
C11H22sing1.09Å1.10Å
C11H23sing1.09Å1.10Å
C17H24sing1.08Å1.08Å
C16H25sing1.08Å1.08Å
C15H26sing1.08Å1.08Å
C14H27sing1.08Å1.08Å
C13H28sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C6C5N117.5°119.5°
C6C5C4123.6°119.5°
C5C6H8109.5°109.5°
C5C6H9109.4°109.5°
C5C6H10109.5°109.5°
OC7C4118.7°120.0°
OC7O1116.7°120.0°
NC5C4118.9°121.0°
C5NC1125.8°122.3°
C5C4C7119.3°120.6°
C5C4C3120.1°118.8°
NC1C117.4°119.5°
NC1C2119.9°121.0°
C4C7O1124.4°120.0°
C7C4C3120.6°120.6°
C7O1C8120.3°117.0°
C4C3C2115.4°117.9°
C4C3C18101.8°121.0°
O1C8C9105.3°109.5°
O1C8H14110.5°109.4°
O1C8H15110.5°109.4°
C8C9N1110.7°109.5°
C9C8H14110.5°109.5°
C9C8H15110.5°109.5°
C8C9H16109.1°109.5°
C8C9H17109.1°109.5°
CC1C2122.7°119.5°
C1CH11109.5°109.4°
C1CH12109.5°109.5°
C1CH13109.5°109.5°
C1C2C3119.4°118.9°
C1C2C24122.4°120.5°
C2C3C18101.6°121.0°
C3C2C24118.0°120.6°
C3C18C23123.8°120.1°
C3C18C19120.6°120.1°
C13C14C15119.4°120.0°
C14C13C12120.0°120.0°
C13C14H27120.3°120.0°
C14C13H28120.0°120.0°
C14C15C16119.3°120.0°
C14C15H26120.4°120.0°
C15C14H27120.3°120.0°
C9N1C10107.7°111.0°
C9N1C11111.4°111.0°
N1C9H16109.2°109.5°
N1C9H17109.2°109.5°
C10N1C11111.7°111.0°
N1C10H19109.5°109.4°
N1C10H20109.5°109.5°
N1C10H21109.5°109.5°
N1C11C12112.7°109.4°
N1C11H22108.7°109.5°
N1C11H23108.7°109.5°
C2C24O4125.8°120.0°
C2C24O5115.0°120.0°
C13C12C11121.5°120.0°
C13C12C17119.9°120.0°
C12C13H28120.0°120.0°
C18C23C22124.1°119.8°
C23C18C19115.6°119.7°
C18C23H4117.9°120.1°
C23C22C21118.2°120.1°
C22C23H4118.0°120.1°
C23C22H5120.9°119.9°
C15C16C17120.4°120.0°
C15C16H25119.8°120.0°
C16C15H26120.3°120.0°
C18C19C20121.6°119.8°
C18C19H7119.2°120.1°
C11C12C17118.6°120.0°
C12C11H22108.7°109.5°
C12C11H23108.7°109.5°
C12C17C16120.9°120.0°
C12C17H24119.5°120.0°
C22C21C20118.2°120.3°
C21C22H5120.9°120.0°
C22C21H6120.9°119.8°
O4C24O5119.1°120.0°
C24O5C25120.2°117.1°
C16C17H24119.5°120.0°
C17C16H25119.8°120.0°
C19C20C21122.4°120.2°
C19C20N2117.7°119.9°
C20C19H7119.2°120.1°
O5C25H1109.5°109.5°
O5C25H2109.5°109.4°
O5C25H3109.4°109.5°
C21C20N2119.9°119.9°
C20C21H6120.9°119.9°
C20N2O2119.1°120.0°
C20N2O3125.3°120.0°
O2N2O3115.6°120.1°
H1C25H2109.5°109.5°
H1C25H3109.5°109.5°
H2C25H3109.5°109.4°
H8C6H9109.5°109.5°
H8C6H10109.5°109.4°
H9C6H10109.5°109.5°
H11CH12109.5°109.5°
H11CH13109.5°109.5°
H12CH13109.5°109.5°
H14C8H15109.4°109.5°
H16C9H17109.5°109.5°
H19C10H20109.5°109.5°
H19C10H21109.5°109.4°
H20C10H21109.5°109.5°
H22C11H23109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C6C5NC4179.7°179.4°
C6C5NC1179.0°180.0°
C6C5C4C70.5°0.3°
C6C5C4C3177.1°179.7°
C5C6H8H9120.0°120.0°
C5C6H8H10120.0°119.9°
C5C6H9H10120.0°120.0°
OC7C4C536.0°90.0°
OC7C4O1174.8°180.0°
OC7C4C3146.5°90.0°
OC7O1C825.0°0.0°
NC5C4C7179.3°179.7°
NC5C4C33.2°0.2°
C5NC1C178.7°179.8°
C5NC1C20.5°0.6°
NC5C6H80.0°90.0°
NC5C6H9120.0°150.0°
NC5C6H10120.0°29.9°
C4C5NC10.8°0.5°
C5C4C7C3177.6°180.0°
C5C4C7O1149.3°90.0°
C5C4C3C28.0°0.0°
C5C4C3C18101.1°180.0°
C4C5C6H8179.7°90.6°
C4C5C6H959.7°29.5°
C4C5C6H1060.3°149.5°
NC1CC2178.1°179.7°
NC1C2C35.8°0.3°
NC1C2C24179.8°179.8°
NC1CH110.0°90.3°
NC1CH12120.0°29.7°
NC1CH13120.0°149.7°
C4C7O1C8149.8°180.0°
C7C4C3C2174.5°180.0°
C7C4C3C1876.5°0.1°
O1C7C4C328.3°90.0°
C7O1C8C9137.6°180.0°
C7O1C8H14103.1°60.0°
C7O1C8H1518.2°60.0°
C4C3C2C19.2°0.0°
C4C3C2C18109.2°179.9°
C4C3C2C24176.3°180.0°
C4C3C18C2355.8°65.2°
C4C3C18C19123.9°115.0°
O1C8C9H14119.4°120.0°
O1C8C9H15119.4°120.0°
O1C8C9N1111.2°65.0°
O1C8H14H15121.9°119.9°
O1C8C9H169.0°175.0°
O1C8C9H17128.6°55.0°
C8C9N1H16120.2°120.0°
C8C9N1H17120.2°120.0°
C8C9N1C1072.9°66.0°
C8C9N1C11164.3°170.0°
C9C8H14H15121.9°120.1°
C8C9H16H17119.4°120.0°
CC1C2C3176.1°180.0°
CC1C2C241.8°0.1°
C1CH11H12120.0°120.0°
C1CH11H13120.0°120.0°
C1CH12H13120.0°120.0°
C1C2C3C24174.6°180.0°
C1C2C3C18100.0°179.9°
C1C2C24O42.9°90.0°
C1C2C24O5173.3°90.0°
C2C1CH11178.1°90.0°
C2C1CH1261.9°150.0°
C2C1CH1358.1°30.0°
C2C3C18C2363.5°114.8°
C2C3C18C19116.8°65.0°
C3C2C24O4171.5°90.0°
C3C2C24O512.3°90.0°
C18C3C2C2474.6°0.0°
C3C18C23C19179.7°179.8°
C3C18C23C22179.6°180.0°
C3C18C19C20179.5°179.7°
C3C18C23H40.5°0.1°
C3C18C19H70.5°0.0°
C13C14C15H27180.0°179.4°
C14C13C12H28180.0°179.4°
C13C14C15C160.6°0.4°
C14C13C12C11178.1°179.7°
C14C13C12C170.3°0.6°
C13C14C15H26179.4°179.8°
C15C14C13C120.5°0.6°
C14C15C16H26180.0°179.9°
C14C15C16C170.5°0.1°
C14C15C16H25179.6°180.0°
C15C14C13H28179.5°180.0°
C9N1C10C11122.6°124.0°
C9N1C11C1270.6°170.0°
N1C9C8H14129.4°55.0°
N1C9C8H158.1°175.0°
N1C9H16H17119.5°120.0°
C9N1C10H19180.0°60.0°
C9N1C10H2060.0°180.0°
C9N1C10H2160.0°60.0°
C9N1C11H22168.8°70.0°
C9N1C11H2349.8°50.0°
C10N1C11C12168.9°66.0°
C10N1C9H1647.2°54.0°
C10N1C9H17166.9°174.0°
N1C10H19H20120.0°120.0°
N1C10H19H21120.0°120.0°
N1C10H20H21120.0°120.0°
C10N1C11H2248.4°54.0°
C10N1C11H2370.6°174.0°
N1C11C12C1379.0°90.3°
N1C11C12H22120.5°120.0°
N1C11C12H23120.5°120.0°
N1C11C12C1799.4°90.0°
C11N1C9H1675.5°70.0°
C11N1C9H1744.1°50.0°
C11N1C10H1957.4°64.0°
C11N1C10H20177.4°56.0°
C11N1C10H2162.6°176.1°
N1C11H22H23118.5°120.0°
C2C24O4O5176.0°180.0°
C2C24O5C25120.4°180.0°
C13C12C11C17178.4°179.7°
C13C12C17C160.2°0.4°
C13C12C11H2241.5°149.7°
C13C12C11H23160.5°29.7°
C13C12C17H24179.8°179.7°
C12C13C14H27179.5°180.0°
C18C23C22H4180.0°179.9°
C18C23C22C210.5°0.1°
C23C18C19C200.3°0.4°
C18C23C22H5179.5°179.9°
C23C18C19H7179.8°179.8°
C22C23C18C190.1°0.2°
C23C22C21H5180.0°180.0°
C23C22C21C201.0°0.1°
C23C22C21H6179.0°179.9°
C15C16C17C120.3°0.1°
C15C16C17H25180.0°180.0°
C15C16C17H24179.7°180.0°
C16C15C14H27179.4°179.7°
C18C19C20H7180.0°179.8°
C18C19C20C210.3°0.5°
C18C19C20N2179.8°179.7°
C19C18C23H4179.8°179.8°
C11C12C17C16178.2°180.0°
C12C11H22H23118.5°120.0°
C11C12C17H241.8°0.1°
C11C12C13H281.9°0.3°
C12C17C16H24180.0°179.9°
C17C12C11H22140.1°30.0°
C17C12C11H2321.1°150.0°
C12C17C16H25179.7°180.0°
C17C12C13H28179.7°180.0°
C22C21C20C190.9°0.2°
C22C21C20H6180.0°180.0°
C22C21C20N2179.6°180.0°
C21C22C23H4179.5°180.0°
O4C24O5C2556.0°0.0°
C24O5C25H1180.0°180.0°
C24O5C25H260.0°60.0°
C24O5C25H360.0°59.9°
C17C16C15H26179.5°179.9°
C19C20C21N2179.5°179.8°
C19C20N2O2160.5°179.8°
C19C20N2O318.2°0.2°
C19C20C21H6179.1°179.8°
O5C25H1H2120.0°120.0°
O5C25H1H3120.0°120.0°
O5C25H2H3120.0°119.9°
C21C20N2O219.1°0.0°
C21C20N2O3162.2°180.0°
C20C21C22H5179.0°179.9°
C21C20C19H7179.7°179.8°
C20N2O2O3178.8°180.0°
N2C20C21H60.4°0.0°
N2C20C19H70.2°0.0°
H1C25H2H3120.0°120.1°
H4C23C22H50.5°0.0°
H5C22C21H61.0°0.1°
H8C6H9H10120.0°119.9°
H11CH12H13120.0°120.0°
H14C8C9H16110.4°65.0°
H14C8C9H179.2°174.9°
H15C8C9H16128.3°55.0°
H15C8C9H17112.0°65.0°
H19C10H20H21120.0°120.0°
H24C17C16H250.3°0.1°
H25C16C15H260.4°0.1°
H26C15C14H270.6°0.4°
H27C14C13H280.5°0.6°

246704

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