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0EX

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1N4sing1.47Å1.44Å
C14C13doub1.38Å1.39ÅAromatic
C14C15sing1.38Å1.40ÅAromatic
C13C12sing1.38Å1.39ÅAromatic
C15C10doub1.38Å1.41ÅAromatic
N4C17sing1.38Å1.34Å
C12C11doub1.38Å1.40ÅAromatic
C10C11sing1.38Å1.40ÅAromatic
C10C9sing1.51Å1.51Å
C17N3doub1.31Å1.37ÅAromatic
C17N1sing1.36Å1.32ÅAromatic
N2C9sing1.47Å1.47Å
N2C8sing1.47Å1.47Å
N3C16sing1.36Å1.38ÅAromatic
N1C3sing1.39Å1.37ÅAromatic
C8C7sing1.53Å1.54Å
C16C3doub1.41Å1.39ÅAromatic
C16C6sing1.39Å1.41ÅAromatic
C7C6sing1.51Å1.52Å
C3C2sing1.38Å1.41ÅAromatic
C6C5doub1.39Å1.42ÅAromatic
C2C4doub1.39Å1.40ÅAromatic
C5C4sing1.42Å1.41ÅAromatic
C5N5sing1.36Å1.41Å
C4C19sing1.47Å1.47Å
N5C18doub1.31Å1.29Å
C19O1doub1.22Å1.22Å
C19N7sing1.35Å1.37Å
C18N7sing1.37Å1.36Å
C18N6sing1.37Å1.35Å
N1H1sing0.97Å1.00Å
C2H2sing1.08Å1.08Å
C7H3sing1.09Å1.10Å
C7H4sing1.09Å1.10Å
C8H5sing1.09Å1.10Å
C8H6sing1.09Å1.10Å
N2H7sing1.01Å1.00Å
C9H9sing1.09Å1.10Å
C9H10sing1.09Å1.10Å
C11H11sing1.08Å1.08Å
C12H12sing1.08Å1.08Å
C13H13sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
C15H15sing1.08Å1.08Å
N4H17sing0.97Å1.00Å
C1H18sing1.09Å1.10Å
C1H19sing1.09Å1.10Å
N6H21sing0.97Å1.00Å
N6H22sing0.97Å1.00Å
N7H23sing0.97Å1.00Å
C1C20sing1.53Å29.37Å
C20C21sing1.51Å0.00Å
C21C22sing1.38Å0.00ÅAromatic
C22C23doub1.38Å0.00ÅAromatic
C23C24sing1.38Å0.00ÅAromatic
C24C25doub1.38Å0.00ÅAromatic
C25C26sing1.38Å0.00ÅAromatic
C26C21doub1.38Å0.00ÅAromatic
C20H8sing1.09Å0.00Å
C20H16sing1.09Å0.00Å
C22H20sing1.08Å0.00Å
C23H24sing1.08Å0.00Å
C24H25sing1.08Å0.00Å
C25H26sing1.08Å0.00Å
C26H27sing1.08Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1N4C17128.5°120.0°
C1N4H17104.5°120.0°
N4C1H18101.1°109.5°
N4C1H19101.1°109.5°
N4C1C20141.0°109.4°
C13C14C15119.0°120.0°
C14C13C12120.6°120.0°
C14C13H13119.7°120.0°
C13C14H14120.5°120.0°
C14C15C10121.0°120.0°
C15C14H14120.5°120.0°
C14C15H15119.5°120.0°
C13C12C11120.2°120.0°
C13C12H12119.9°120.0°
C12C13H13119.7°120.0°
C15C10C11119.1°120.0°
C15C10C9120.0°120.0°
C10C15H15119.5°120.0°
N4C17N3122.8°125.0°
N4C17N1126.7°125.0°
C17N4H17104.5°120.0°
C12C11C10120.0°120.0°
C12C11H11120.0°120.0°
C11C12H12119.9°120.0°
C11C10C9120.8°120.0°
C10C11H11120.0°120.1°
C10C9N2111.2°109.5°
C10C9H9109.0°109.4°
C10C9H10109.0°109.5°
N3C17N1110.4°110.0°
C17N3C16108.6°109.8°
C17N1C3105.7°107.1°
C17N1H1127.2°126.4°
C9N2C8111.2°111.0°
C9N2H7109.1°111.1°
N2C9H9109.1°109.5°
N2C9H10109.0°109.5°
N2C8C7109.3°109.5°
N2C8H5109.5°109.5°
N2C8H6109.5°109.5°
C8N2H7109.0°111.0°
N3C16C3103.1°107.0°
N3C16C6131.1°132.9°
N1C3C16111.2°106.1°
N1C3C2129.9°133.4°
C3N1H1127.2°126.5°
C8C7C6112.1°109.5°
C8C7H3108.8°109.5°
C8C7H4108.8°109.4°
C7C8H5109.5°109.5°
C7C8H6109.5°109.4°
C3C16C6123.9°120.2°
C16C3C2118.7°120.5°
C16C6C7122.0°120.2°
C16C6C5116.9°119.6°
C7C6C5120.3°120.2°
C6C7H3108.8°109.5°
C6C7H4108.8°109.5°
C3C2C4117.6°119.6°
C3C2H2121.2°120.2°
C6C5C4118.4°119.8°
C6C5N5121.1°121.3°
C2C4C5123.9°120.3°
C2C4C19118.5°121.5°
C4C2H2121.2°120.2°
C4C5N5120.3°119.0°
C5C4C19117.4°118.2°
C5N5C18120.1°121.5°
C4C19O1121.6°121.2°
C4C19N7116.2°117.6°
N5C18N7122.1°123.2°
N5C18N6121.9°118.4°
O1C19N7122.0°121.2°
C19N7C18123.1°120.6°
C19N7H23118.5°119.7°
N7C18N6115.7°118.4°
C18N7H23118.5°119.7°
C18N6H21120.0°120.0°
C18N6H22120.0°120.0°
H3C7H4109.5°109.5°
H5C8H6109.4°109.5°
H9C9H10109.5°109.4°
H18C1H19109.4°109.5°
H18C1C20101.1°109.5°
H19C1C20101.1°109.4°
H21N6H22120.0°120.0°
C1C20C2190.0°109.4°
C1C20H890.0°109.4°
C1C20H1690.0°109.4°
C20C21C2290.0°120.0°
C20C21C2690.0°120.0°
C21C20H890.0°109.5°
C21C20H1690.0°109.5°
C21C22C2390.0°120.0°
C22C21C2690.0°120.0°
C21C22H2090.0°120.0°
C22C23C2490.0°120.0°
C23C22H2090.0°120.0°
C22C23H2490.0°120.0°
C23C24C2590.0°120.0°
C24C23H2490.0°120.0°
C23C24H2590.0°120.0°
C24C25C2690.0°120.0°
C25C24H2590.0°120.0°
C24C25H2690.0°120.0°
C25C26C2190.0°120.0°
C26C25H2690.0°120.0°
C25C26H2790.0°119.9°
C21C26H2790.0°120.0°
H8C20H1690.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1N4C17H17122.5°180.0°
C1N4C17N32.0°179.9°
C1N4C17N1173.4°0.5°
N4C1H18H19106.1°120.0°
N4C1H18C20147.8°120.0°
N4C1H19C20147.8°120.0°
N4C1C20C2190.0°180.0°
N4C1C20H890.0°60.0°
N4C1C20H1690.0°60.0°
C13C14C15H14180.0°179.8°
C14C13C12H13180.0°179.9°
C13C14C15C101.8°0.6°
C14C13C12C110.8°0.1°
C14C13C12H12179.2°180.0°
C13C14C15H15178.2°180.0°
C15C14C13C121.6°0.2°
C14C15C10H15180.0°179.4°
C14C15C10C111.1°0.6°
C14C15C10C9178.5°179.6°
C15C14C13H13178.4°179.7°
C13C12C11H12180.0°179.9°
C13C12C11C100.1°0.0°
C13C12C11H11179.9°179.9°
C12C13C14H14178.4°180.0°
C15C10C11C120.3°0.3°
C15C10C11C9177.3°179.8°
C15C10C9N284.7°90.3°
C15C10C9H9155.1°149.7°
C15C10C9H1035.6°29.8°
C15C10C11H11179.7°179.7°
C10C15C14H14178.2°179.6°
N4C17N3N1176.0°179.7°
N4C17N3C16174.1°180.0°
N4C17N1C3179.5°180.0°
N4C17N1H10.5°0.2°
C17N4C1H1871.8°60.0°
C17N4C1H19175.6°60.0°
C17N4C1C2051.9°180.0°
C12C11C10H11180.0°180.0°
C12C11C10C9177.6°179.9°
C11C12C13H13179.3°180.0°
C11C10C9N292.6°89.9°
C11C10C9H927.7°30.0°
C11C10C9H10147.1°150.0°
C10C11C12H12179.9°180.0°
C11C10C15H15178.9°180.0°
C10C9N2H9120.3°119.9°
C10C9N2H10120.2°120.1°
C10C9N2C8136.8°179.9°
C10C9N2H7102.9°56.0°
C10C9H9H10119.2°120.0°
C9C10C11H112.4°0.0°
C9C10C15H151.5°0.3°
N3C17N1C34.7°0.4°
C17N3C16C310.3°0.2°
C17N3C16C6174.5°179.7°
N3C17N1H1175.3°179.8°
N3C17N4H17120.5°0.1°
N1C17N3C169.8°0.4°
C17N1C3H1180.0°179.8°
C17N1C3C162.1°0.2°
C17N1C3C2177.8°179.8°
N1C17N4H1764.1°179.5°
C9N2C8H7120.3°124.0°
C9N2C8C765.0°179.9°
C9N2C8H555.0°60.0°
C9N2C8H6175.0°60.0°
N2C9H9H10119.2°120.0°
N2C8C7H5120.0°120.1°
N2C8C7H6120.0°119.9°
N2C8C7C6148.2°180.0°
N2C8C7H327.8°59.9°
N2C8C7H491.4°60.1°
N2C8H5H6120.0°120.0°
C8N2C9H916.6°60.0°
C8N2C9H10102.9°60.0°
N3C16C3N17.7°0.0°
N3C16C3C6165.7°180.0°
N3C16C6C720.5°0.0°
N3C16C3C2176.0°180.0°
N3C16C6C5169.3°180.0°
N1C3C16C2176.2°180.0°
N1C3C16C6173.4°180.0°
N1C3C2C4178.9°180.0°
N1C3C2H21.1°0.1°
C8C7C6C1660.2°90.0°
C8C7C6H3120.4°120.0°
C8C7C6H4120.4°119.9°
C8C7C6C5109.7°90.0°
C8C7H3H4118.8°120.0°
C7C8H5H6120.1°120.0°
C7C8N2H7174.7°56.1°
C3C16C6C7178.1°180.0°
C3C16C6C57.9°0.0°
C16C3C2C45.8°0.0°
C16C3N1H1177.9°180.0°
C16C3C2H2174.3°179.9°
C16C6C7C5169.9°180.0°
C6C16C3C210.4°0.0°
C16C6C5C41.2°0.0°
C16C6C5N5173.6°180.0°
C16C6C7H360.2°30.0°
C16C6C7H4179.4°150.0°
C7C6C5C4171.6°180.0°
C7C6C5N53.2°0.0°
C6C7H3H4118.8°120.0°
C6C7C8H591.8°60.0°
C6C7C8H628.2°60.0°
C3C2C4H2180.0°179.9°
C3C2C4C50.6°0.0°
C3C2C4C19174.7°180.0°
C2C3N1H12.2°0.0°
C6C5C4C22.9°0.0°
C6C5C4N5174.8°180.0°
C6C5C4C19177.0°180.0°
C6C5N5C18177.6°180.0°
C5C6C7H3129.9°150.0°
C5C6C7H410.7°30.0°
C2C4C5C19174.1°180.0°
C2C4C5N5177.7°180.0°
C2C4C19O10.6°0.0°
C2C4C19N7175.9°180.0°
C4C5N5C187.7°0.0°
C5C4C19O1175.0°180.0°
C5C4C19N71.5°0.0°
C5C4C2H2179.3°179.9°
N5C5C4C198.2°0.0°
C5N5C18N70.0°0.1°
C5N5C18N6172.7°180.0°
C4C19O1N7176.3°180.0°
C4C19N7C186.1°0.1°
C19C4C2H25.3°0.1°
C4C19N7H23173.8°180.0°
N5C18N7C197.2°0.1°
N5C18N7N6173.1°179.9°
N5C18N6H210.0°0.1°
N5C18N6H22180.0°179.9°
N5C18N7H23172.8°179.9°
O1C19N7C18177.4°180.0°
O1C19N7H232.6°0.0°
C19N7C18H23180.0°180.0°
C19N7C18N6179.7°180.0°
N7C18N6H21173.2°180.0°
N7C18N6H226.8°0.0°
C18N6H21H22180.0°180.0°
N6C18N7H230.3°0.0°
H3C7C8H5147.8°180.0°
H3C7C8H692.2°60.0°
H4C7C8H528.6°60.0°
H4C7C8H6148.6°180.0°
H5C8N2H765.3°64.0°
H6C8N2H754.7°176.0°
H7N2C9H9136.9°63.9°
H7N2C9H1017.4°176.1°
H11C11C12H120.1°0.0°
H12C12C13H130.7°0.1°
H13C13C14H141.6°0.1°
H14C14C15H151.8°0.2°
H17N4C1H18165.7°120.0°
H17N4C1H1953.1°119.9°
H17N4C1C2070.6°0.0°
H18C1H19C20106.1°120.0°
H18C1C20C2190.0°60.0°
H18C1C20H890.0°180.0°
H18C1C20H1690.0°60.0°
H19C1C20C2190.0°60.0°
H19C1C20H890.0°60.0°
H19C1C20H1690.0°180.0°
C1C20C21H890.0°120.0°
C1C20C21H1690.0°120.0°
C1C20C21C2290.0°90.0°
C1C20C21C2690.0°90.3°
C1C20H8H1690.0°120.0°
C20C21C22C2690.0°179.6°
C20C21C22C2390.0°180.0°
C20C21C26C2590.0°179.8°
C21C20H8H1690.0°120.1°
C20C21C22H2090.0°0.1°
C20C21C26H2790.0°0.3°
C21C22C23H2090.0°179.9°
C21C22C23C2490.0°0.0°
C22C21C26C2590.0°0.6°
C22C21C20H890.0°29.9°
C22C21C20H1690.0°150.0°
C21C22C23H2490.0°179.9°
C22C21C26H2790.0°179.9°
C22C23C24H2490.0°180.0°
C22C23C24C2590.0°0.1°
C23C22C21C2690.0°0.3°
C22C23C24H2590.0°180.0°
C23C24C25H2590.0°180.0°
C23C24C25C2690.0°0.2°
C24C23C22H2090.0°179.9°
C23C24C25H2690.0°180.0°
C24C25C26H2690.0°179.8°
C24C25C26C2190.0°0.5°
C25C24C23H2490.0°180.0°
C24C25C26H2790.0°180.0°
C25C26C21H2790.0°179.5°
C26C25C24H2590.0°179.8°
C26C21C20H890.0°149.7°
C26C21C20H1690.0°29.6°
C26C21C22H2090.0°179.8°
C21C26C25H2690.0°179.7°
H20C22C23H2490.0°0.0°
H24C23C24H2590.0°0.0°
H25C24C25H2690.0°0.0°
H26C25C26H2790.0°0.2°

246704

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