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N1Q

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
COsing1.43Å1.44Å
OC1sing1.43Å1.41Å
C2C1sing1.53Å1.51Å
C2Nsing1.47Å1.47Å
C22Nsing1.47Å1.47Å
C22C21sing1.53Å1.53Å
NC3sing1.47Å1.47Å
C3C4sing1.53Å1.53Å
C21C5sing1.53Å1.53Å
C4C5sing1.53Å1.53Å
C5C6sing1.53Å1.52Å
C6N1sing1.47Å1.47Å
N1C7sing1.35Å1.34Å
O1C7doub1.22Å1.23Å
C7C8sing1.47Å1.52Å
F1C20sing1.35Å1.35Å
C8N2doub1.32Å1.34ÅAromatic
C8C14sing1.47Å1.43ÅAromatic
FC19sing1.35Å1.35Å
N2N3sing1.28Å1.37ÅAromatic
C14C13doub1.39Å1.39ÅAromatic
C14C9sing1.41Å1.41ÅAromatic
C13C12sing1.39Å1.40ÅAromatic
C20C19doub1.38Å1.38ÅAromatic
C20C15sing1.40Å1.39ÅAromatic
N3C9sing1.37Å1.36ÅAromatic
C19C18sing1.38Å1.38ÅAromatic
C9C10doub1.39Å1.39ÅAromatic
C12C15sing1.48Å1.49Å
C12C11doub1.40Å1.41ÅAromatic
C15C16doub1.39Å1.40ÅAromatic
C10C11sing1.37Å1.39ÅAromatic
C18C17doub1.38Å1.39ÅAromatic
C16C17sing1.38Å1.39ÅAromatic
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C2H3sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
C3H6sing1.09Å1.10Å
C4H7sing1.09Å1.10Å
C4H8sing1.09Å1.10Å
C5H9sing1.09Å1.10Å
C6H10sing1.09Å1.10Å
C6H11sing1.09Å1.10Å
C11H12sing1.08Å1.08Å
C16H13sing1.08Å1.08Å
C17H14sing1.08Å1.08Å
C18H15sing1.08Å1.08Å
C21H16sing1.09Å1.10Å
C21H17sing1.09Å1.10Å
C10H18sing1.08Å1.08Å
C13H19sing1.08Å1.08Å
N3H20sing0.97Å1.00Å
N1H21sing0.97Å1.00Å
C22H22sing1.09Å1.10Å
C22H23sing1.09Å1.10Å
CH25sing1.09Å1.10Å
CH26sing1.09Å1.10Å
CH27sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
COC1113.3°114.0°
OCH25109.5°109.5°
OCH26109.5°109.4°
OCH27109.5°109.5°
OC1C2109.1°109.5°
OC1H1109.6°109.5°
OC1H2109.5°109.5°
C1C2N112.1°109.5°
C2C1H1109.6°109.4°
C2C1H2109.6°109.5°
C1C2H3108.8°109.6°
C1C2H4108.8°109.5°
C2NC22112.7°111.0°
C2NC3111.4°111.0°
NC2H3108.8°109.5°
NC2H4108.8°109.4°
NC22C21111.2°109.5°
C22NC3109.0°111.2°
NC22H22109.0°109.5°
NC22H23109.0°109.5°
C22C21C5113.7°109.2°
C22C21H16108.4°109.5°
C22C21H17108.4°109.5°
C21C22H22109.0°109.4°
C21C22H23109.0°109.5°
NC3C4110.8°109.5°
NC3H5109.2°109.5°
NC3H6109.1°109.4°
C3C4C5110.7°109.3°
C4C3H5109.1°109.5°
C4C3H6109.1°109.4°
C3C4H7109.2°109.6°
C3C4H8109.2°109.5°
C21C5C4109.3°109.1°
C21C5C6113.0°109.5°
C21C5H9107.6°109.6°
C5C21H16108.4°109.5°
C5C21H17108.4°109.5°
C4C5C6111.4°109.5°
C5C4H7109.1°109.5°
C5C4H8109.2°109.5°
C4C5H9107.6°109.5°
C5C6N1113.4°109.5°
C6C5H9107.7°109.5°
C5C6H10108.5°109.5°
C5C6H11108.5°109.5°
C6N1C7122.8°120.0°
N1C6H10108.5°109.4°
N1C6H11108.5°109.5°
C6N1H21118.6°120.0°
N1C7O1123.5°120.0°
N1C7C8116.1°120.0°
C7N1H21118.6°120.1°
O1C7C8120.4°120.0°
C7C8N2122.8°126.9°
C7C8C14126.4°126.8°
F1C20C19118.8°120.1°
F1C20C15120.4°120.1°
N2C8C14110.7°106.4°
C8N2N3105.8°112.0°
C8C14C13135.7°135.4°
C8C14C9105.1°104.3°
FC19C20118.7°120.0°
FC19C18119.8°120.0°
N2N3C9112.0°111.3°
N2N3H20124.0°124.3°
C13C14C9119.2°120.2°
C14C13C12120.4°119.3°
C14C13H19119.8°120.3°
C14C9N3106.3°106.0°
C14C9C10121.5°119.5°
C13C12C15119.9°120.0°
C13C12C11118.8°120.1°
C12C13H19119.8°120.4°
C19C20C15120.8°119.8°
C20C19C18121.5°120.1°
C20C15C12123.8°120.1°
C20C15C16117.8°119.7°
N3C9C10132.2°134.5°
C9N3H20124.0°124.3°
C19C18C17118.6°120.2°
C19C18H15120.7°120.0°
C9C10C11118.3°120.1°
C9C10H18120.9°120.0°
C15C12C11121.3°119.9°
C12C15C16118.5°120.1°
C12C11C10121.7°120.8°
C12C11H12119.1°119.6°
C15C16C17120.8°120.0°
C15C16H13119.6°120.0°
C10C11H12119.1°119.6°
C11C10H18120.8°119.9°
C18C17C16120.6°120.2°
C18C17H14119.7°119.9°
C17C18H15120.7°119.8°
C17C16H13119.6°120.0°
C16C17H14119.7°119.9°
H1C1H2109.5°109.4°
H3C2H4109.5°109.5°
H5C3H6109.5°109.5°
H7C4H8109.5°109.6°
H10C6H11109.5°109.5°
H16C21H17109.5°109.6°
H22C22H23109.5°109.5°
H25CH26109.4°109.5°
H25CH27109.5°109.5°
H26CH27109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
COC1C2179.3°180.0°
COC1H159.4°60.0°
COC1H260.7°60.0°
OCH25H26120.0°120.0°
OCH25H27120.0°120.0°
OCH26H27120.0°120.0°
OC1C2H1119.9°120.0°
OC1C2H2119.9°120.1°
OC1C2N164.4°65.0°
OC1H1H2120.1°120.0°
OC1C2H344.0°175.0°
OC1C2H475.2°54.9°
C1OCH25180.0°60.0°
C1OCH2660.0°60.0°
C1OCH2760.0°180.0°
C1C2NH3120.4°120.1°
C1C2NH4120.4°120.0°
C1C2NC22149.4°170.0°
C1C2NC387.8°65.9°
C2C1H1H2120.2°119.9°
C1C2H3H4118.8°120.0°
C2NC22C3124.2°124.1°
C2NC22C21176.4°174.1°
C2NC3C4171.0°174.1°
NC2C1H175.6°175.0°
NC2C1H244.5°55.1°
NC2H3H4118.8°119.9°
C2NC3H550.8°65.8°
C2NC3H668.8°54.2°
C2NC22H2263.3°54.2°
C2NC22H2356.2°65.8°
NC22C21H22120.2°120.0°
NC22C21H23120.3°120.1°
C22NC3C464.1°61.8°
NC22C21C553.1°59.2°
C22NC2H390.2°70.0°
C22NC2H429.0°50.0°
C22NC3H5175.7°58.2°
C22NC3H656.1°178.2°
NC22C21H16173.8°60.8°
NC22C21H1767.5°179.1°
NC22H22H23119.2°120.1°
C21C22NC359.4°61.8°
C22C21C5H16120.6°119.9°
C22C21C5H17120.6°119.9°
C22C21C5C448.4°57.7°
C22C21C5C6173.1°177.6°
C22C21C5H968.2°62.3°
C22C21H16H17118.0°120.1°
C21C22H22H23119.2°119.9°
NC3C4H5120.2°120.0°
NC3C4H6120.2°119.9°
NC3C4C560.9°59.2°
C3NC2H332.6°54.2°
C3NC2H4151.8°174.2°
NC3H5H6119.4°119.9°
NC3C4H759.2°60.7°
NC3C4H8178.9°179.1°
C3NC22H2260.9°178.2°
C3NC22H23179.6°58.2°
C3C4C5C2151.3°57.7°
C3C4C5H7120.2°120.0°
C3C4C5H8120.2°119.9°
C3C4C5C6176.9°177.6°
C4C3H5H6119.3°120.0°
C3C4H7H8119.5°120.2°
C3C4C5H965.3°62.3°
C21C5C4C6125.6°119.9°
C21C5C4H9116.6°120.0°
C21C5C6H9118.7°120.2°
C21C5C6N150.2°65.3°
C21C5C4H768.9°62.3°
C21C5C4H8171.5°177.6°
C21C5C6H1070.4°54.7°
C21C5C6H11170.8°174.7°
C5C21H16H17118.1°120.1°
C5C21C22H2267.1°179.2°
C5C21C22H23173.4°60.9°
C4C5C6H9117.8°120.1°
C4C5C6N1173.7°175.0°
C5C4C3H5178.9°60.8°
C5C4C3H659.3°179.2°
C5C4H7H8119.4°120.0°
C4C5C6H1053.2°65.0°
C4C5C6H1165.7°55.0°
C4C5C21H16169.0°62.3°
C4C5C21H1772.2°177.6°
C5C6N1H10120.6°120.0°
C5C6N1H11120.6°120.0°
C5C6N1C7100.5°180.0°
C6C5C4H756.7°57.6°
C6C5C4H862.9°62.5°
C5C6H10H11118.2°120.0°
C6C5C21H1666.3°57.6°
C6C5C21H1752.4°62.5°
C5C6N1H2179.5°0.0°
C6N1C7H21180.0°180.0°
C6N1C7O114.3°0.0°
C6N1C7C8165.3°180.0°
N1C6C5H968.5°54.9°
N1C6H10H11118.2°120.0°
N1C7O1C8179.6°179.9°
N1C7C8N21.3°0.0°
N1C7C8C14179.7°179.7°
C7N1C6H1020.1°60.0°
C7N1C6H11138.9°60.0°
O1C7C8N2178.4°179.9°
O1C7C8C140.6°0.3°
O1C7N1H21165.7°179.9°
C7C8N2C14179.2°179.7°
C7C8N2N3179.3°179.8°
C7C8C14C130.9°0.1°
C7C8C14C9179.4°180.0°
C8C7N1H2114.7°0.0°
F1C20C19F0.2°0.3°
F1C20C19C15179.8°179.4°
F1C20C19C18179.3°180.0°
F1C20C15C120.2°0.3°
F1C20C15C16179.4°179.9°
N2C8C14C13180.0°179.8°
N2C8C14C90.3°0.3°
C8N2N3C90.0°0.5°
C8N2N3H20180.0°179.8°
C14C8N2N30.2°0.5°
C8C14C13C9179.6°179.9°
C8C14C13C12179.9°180.0°
C8C14C9N30.3°0.0°
C8C14C9C10179.9°179.9°
C8C14C13H190.1°0.2°
FC19C20C18179.1°179.8°
FC19C20C15179.6°179.7°
FC19C18C17178.8°180.0°
FC19C18H151.1°0.1°
N2N3C9C140.2°0.3°
N2N3C9H20180.0°179.7°
N2N3C9C10179.7°179.8°
C14C13C12H19180.0°179.9°
C13C14C9N3180.0°180.0°
C13C14C9C100.4°0.0°
C14C13C12C15179.3°180.0°
C14C13C12C110.0°0.1°
C9C14C13C120.3°0.0°
C14C9N3C10179.5°179.9°
C14C9C10C110.1°0.1°
C14C9C10H18179.9°180.0°
C9C14C13H19179.7°179.9°
C14C9N3H20179.8°180.0°
C13C12C15C20135.0°50.2°
C13C12C15C11179.3°179.9°
C13C12C15C1644.6°130.0°
C13C12C11C100.3°0.2°
C13C12C11H12179.8°180.0°
C19C20C15C12180.0°179.7°
C19C20C15C160.4°0.6°
C20C19C18C170.2°0.3°
C20C19C18H15179.8°179.7°
C15C20C19C180.5°0.6°
C20C15C12C16179.6°179.8°
C20C15C12C1145.7°129.7°
C20C15C16C170.4°0.2°
C20C15C16H13179.6°179.7°
N3C9C10C11179.6°179.9°
N3C9C10H180.4°0.0°
C19C18C17H15180.0°180.0°
C19C18C17C161.0°0.0°
C19C18C17H14179.0°180.0°
C9C10C11C120.2°0.2°
C9C10C11H18180.0°179.9°
C9C10C11H12179.8°180.0°
C10C9N3H200.3°0.1°
C15C12C11C10179.5°179.9°
C12C15C16C17179.2°180.0°
C15C12C11H120.5°0.1°
C12C15C16H130.8°0.0°
C15C12C13H190.7°0.1°
C11C12C15C16134.7°50.1°
C12C11C10H12180.0°179.8°
C12C11C10H18179.8°179.9°
C11C12C13H19180.0°180.0°
C15C16C17C181.2°0.1°
C15C16C17H13180.0°180.0°
C15C16C17H14178.9°180.0°
C18C17C16H14180.0°179.9°
C18C17C16H13178.9°180.0°
C16C17C18H15179.0°180.0°
H1C1C2H3164.0°55.0°
H1C1C2H444.8°65.1°
H2C1C2H375.9°65.0°
H2C1C2H4164.9°175.0°
H5C3C4H761.0°179.3°
H5C3C4H858.7°59.1°
H6C3C4H7179.4°59.2°
H6C3C4H860.9°61.0°
H7C4C5H9174.5°177.7°
H8C4C5H954.9°57.7°
H9C5C6H10171.0°174.9°
H9C5C6H1152.1°65.1°
H9C5C21H1652.4°177.8°
H9C5C21H17171.2°57.6°
H10C6N1H21159.9°120.1°
H11C6N1H2141.1°120.0°
H12C11C10H180.2°0.1°
H13C16C17H141.1°0.1°
H14C17C18H150.9°0.1°
H16C21C22H2253.6°59.2°
H16C21C22H2365.9°179.2°
H17C21C22H22172.2°60.9°
H17C21C22H2352.7°59.0°
H25CH26H27120.0°120.0°

222926

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