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G98

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C3doub1.33Å1.35ÅAromatic
N1C1sing1.32Å1.35ÅAromatic
N3C4doub1.32Å1.35ÅAromatic
N3C5sing1.35Å1.35ÅAromatic
C4N2sing1.38Å1.34ÅAromatic
C4C9sing1.42Å1.41Å
C5C6doub1.41Å1.40ÅAromatic
C5C3sing1.41Å1.40ÅAromatic
C6C2sing1.39Å1.39ÅAromatic
C6N2sing1.38Å1.34ÅAromatic
C7C8sing1.53Å1.51Å
C7N2sing1.46Å1.47Å
C10C9doub1.36Å1.39Å
C10N6sing1.38Å1.36Å
C10N5sing1.38Å1.35Å
C13C15sing1.53Å1.53Å
C13O2sing1.43Å1.43Å
C13C14sing1.53Å1.52Å
C13C12sing1.47Å1.47Å
C17C16sing1.53Å1.52Å
C17C18sing1.53Å1.53Å
C20C21doub1.38Å1.39ÅAromatic
C20C19sing1.38Å1.39ÅAromatic
C21C22sing1.38Å1.39ÅAromatic
C22C23doub1.38Å1.39ÅAromatic
C24C19doub1.38Å1.39ÅAromatic
C24C23sing1.38Å1.39ÅAromatic
C12C11trip1.17Å1.18Å
C11C3sing1.43Å1.29Å
C1O3sing1.36Å1.37Å
C1C2doub1.39Å1.39ÅAromatic
O3C16sing1.43Å1.43Å
C16C19sing1.51Å1.48Å
C18N7sing1.47Å1.45Å
C9N4sing1.42Å1.35Å
N5O1sing1.42Å1.44Å
O1N4sing1.42Å1.44Å
C7H7sing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
C8H8sing1.09Å1.10Å
C8H8Asing1.09Å1.10Å
C8H8Bsing1.09Å1.10Å
C15H15sing1.09Å1.10Å
C15H15Asing1.09Å1.10Å
C15H15Bsing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C17H17Asing1.09Å1.10Å
C20H20sing1.08Å1.08Å
C21H21sing1.08Å1.08Å
C22H22sing1.08Å1.08Å
C24H24sing1.08Å1.08Å
O2HO2sing0.97Å0.95Å
C14H14sing1.09Å1.10Å
C14H14Asing1.09Å1.10Å
C14H14Bsing1.09Å1.10Å
C16H16sing1.09Å1.10Å
C23H23sing1.08Å1.08Å
C18H18sing1.09Å1.10Å
C18H18Asing1.09Å1.10Å
N7HN7sing1.01Å1.00Å
N7HN7Asing1.01Å1.00Å
C2H2sing1.08Å1.08Å
N6HN6sing0.97Å1.00Å
N6HN6Asing0.97Å1.00Å
N5HN5sing0.97Å1.00Å
N4HN4sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C3N1C1122.0°122.2°
N1C3C5119.8°120.1°
N1C3C11117.8°120.0°
N1C1O3117.6°119.4°
N1C1C2119.8°121.3°
C4N3C5105.3°109.6°
N3C4N2113.4°109.5°
N3C4C9121.0°125.3°
N3C5C6107.5°107.3°
N3C5C3133.0°134.1°
N2C4C9125.7°125.2°
C4N2C6104.5°107.1°
C4N2C7130.4°126.5°
C4C9C10125.3°125.6°
C4C9N4123.9°125.6°
C6C5C3119.6°118.6°
C5C6C2118.9°118.7°
C5C6N2109.3°106.4°
C5C3C11122.4°119.9°
C2C6N2131.8°134.8°
C6C2C1119.9°119.1°
C6C2H2120.0°120.4°
C6N2C7125.1°126.4°
C8C7N2111.4°109.5°
C8C7H7109.0°109.5°
C8C7H7A109.0°109.4°
C7C8H8109.5°109.5°
C7C8H8A109.5°109.5°
C7C8H8B109.4°109.5°
N2C7H7109.0°109.5°
N2C7H7A109.0°109.5°
C9C10N6126.0°125.2°
C9C10N5113.1°109.6°
C10C9N4110.8°108.7°
N6C10N5120.9°125.2°
C10N6HN6109.5°120.0°
C10N6HN6A109.5°120.0°
C10N5O1100.8°108.2°
C10N5HN5111.6°125.9°
C15C13O2108.9°109.5°
C15C13C14110.5°109.5°
C15C13C12110.4°109.5°
C13C15H15109.5°109.5°
C13C15H15A109.5°109.5°
C13C15H15B109.5°109.5°
O2C13C14108.7°109.4°
O2C13C12109.1°109.4°
C13O2HO2109.5°114.0°
C14C13C12109.3°109.5°
C13C14H14109.5°109.4°
C13C14H14A109.5°109.5°
C13C14H14B109.5°109.4°
C13C12C11176.8°180.0°
C16C17C18109.2°109.5°
C17C16O3108.5°109.5°
C17C16C19111.2°109.5°
C16C17H17109.5°109.4°
C16C17H17A109.5°109.5°
C17C16H16108.7°109.5°
C17C18N7110.1°109.4°
C18C17H17109.5°109.5°
C18C17H17A109.5°109.5°
C17C18H18109.3°109.5°
C17C18H18A109.3°109.5°
C21C20C19119.8°120.0°
C20C21C22120.1°120.0°
C21C20H20120.1°120.0°
C20C21H21119.9°120.0°
C20C19C24119.9°120.0°
C20C19C16120.0°120.0°
C19C20H20120.1°120.0°
C21C22C23120.2°120.0°
C22C21H21120.0°120.0°
C21C22H22119.9°120.0°
C22C23C24119.7°120.0°
C23C22H22119.9°120.0°
C22C23H23120.2°120.0°
C19C24C23120.2°120.0°
C24C19C16120.0°120.0°
C19C24H24119.9°120.0°
C23C24H24119.9°120.1°
C24C23H23120.1°120.0°
C12C11C3176.2°180.0°
O3C1C2122.6°119.4°
C1O3C16124.6°117.0°
C1C2H2120.0°120.5°
O3C16C19109.4°109.4°
O3C16H16109.9°109.5°
C19C16H16109.2°109.5°
N7C18H18109.3°109.5°
N7C18H18A109.3°109.5°
C18N7HN7109.5°111.0°
C18N7HN7A109.5°111.0°
C9N4O1101.9°106.9°
C9N4HN4111.3°126.6°
N5O1N4113.5°106.6°
O1N5HN5111.6°125.9°
O1N4HN4111.3°126.5°
H7C7H7A109.5°109.5°
H8C8H8A109.5°109.5°
H8C8H8B109.4°109.4°
H8AC8H8B109.5°109.4°
H15C15H15A109.5°109.4°
H15C15H15B109.4°109.5°
H15AC15H15B109.5°109.4°
H17C17H17A109.5°109.4°
H14C14H14A109.4°109.5°
H14C14H14B109.5°109.5°
H14AC14H14B109.5°109.5°
H18C18H18A109.5°109.5°
HN7N7HN7A109.5°111.0°
HN6N6HN6A109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C3C5N3179.4°179.9°
N1C3C5C60.2°0.0°
N1C3C5C11179.2°180.0°
N1C3C11C1211.4°57.1°
C3N1C1O3179.8°180.0°
C3N1C1C20.5°0.1°
C1N1C3C50.5°0.0°
N1C1C2C60.3°0.1°
C1N1C3C11179.8°180.0°
N1C1O3C2179.6°179.9°
N1C1O3C16175.5°0.0°
N1C1C2H2179.7°180.0°
N3C4N2C9179.2°180.0°
C4N3C5C60.0°0.0°
C4N3C5C3179.7°180.0°
N3C4N2C60.4°0.0°
N3C4N2C7179.4°180.0°
N3C4C9C101.1°5.7°
N3C4C9N4179.8°174.3°
C5N3C4N20.2°0.0°
C5N3C4C9179.5°180.0°
N3C5C6C3179.7°180.0°
N3C5C6C2179.7°180.0°
N3C5C6N20.2°0.0°
N3C5C3C110.2°0.0°
C4N2C6C50.3°0.0°
C4N2C6C2179.6°180.0°
C4N2C6C7179.1°180.0°
C4N2C7C880.2°84.3°
N2C4C9C10179.7°174.3°
N2C4C9N40.7°5.8°
C4N2C7H7159.5°35.7°
C4N2C7H7A40.1°155.8°
C9C4N2C6179.6°180.0°
C9C4N2C71.4°0.0°
C4C9C10N4179.2°180.0°
C4C9C10N61.0°0.0°
C4C9C10N5179.5°179.7°
C4C9N4O1179.5°179.6°
C4C9N4HN460.8°0.1°
C5C6C2N2179.9°179.9°
C5C6N2C7179.4°180.0°
C6C5C3C11179.5°180.0°
C5C6C2C10.0°0.0°
C5C6C2H2179.9°180.0°
C3C5C6C20.0°0.0°
C3C5C6N2180.0°180.0°
C5C3C11C12167.9°122.9°
C2C6N2C70.5°0.0°
C6C2C1O3179.9°180.0°
C6C2C1H2180.0°180.0°
C6N2C7C8100.9°95.7°
N2C6C2C1180.0°180.0°
C6N2C7H719.4°144.3°
C6N2C7H7A138.8°24.2°
N2C6C2H20.0°0.0°
C8C7N2H7120.3°120.0°
C8C7N2H7A120.3°119.9°
C8C7H7H7A119.1°120.0°
C7C8H8H8A120.0°120.1°
C7C8H8H8B120.0°120.0°
C7C8H8AH8B120.0°120.0°
N2C7H7H7A119.1°120.0°
N2C7C8H8180.0°60.0°
N2C7C8H8A60.0°60.0°
N2C7C8H8B60.0°180.0°
C9C10N6N5179.4°179.7°
C9C10N5O10.2°0.0°
C10C9N4O10.4°0.4°
C9C10N6HN6180.0°0.0°
C9C10N6HN6A60.0°180.0°
C9C10N5HN5118.4°180.0°
C10C9N4HN4118.4°179.9°
N6C10C9N4179.8°180.0°
N6C10N5O1179.6°179.7°
C10N6HN6HN6A120.0°179.9°
N6C10N5HN561.0°0.3°
N5C10C9N40.4°0.3°
C10N5O1HN5118.6°180.0°
C10N5O1N40.1°0.2°
N5C10N6HN60.6°179.7°
N5C10N6HN6A119.4°0.4°
C15C13O2C14120.4°120.0°
C15C13O2C12120.6°120.0°
C15C13C14C12121.7°120.0°
C15C13C12C1194.7°42.8°
C13C15H15H15A120.0°120.0°
C13C15H15H15B120.0°120.0°
C13C15H15AH15B120.0°120.0°
C15C13O2HO2180.0°180.0°
C15C13C14H14180.0°60.0°
C15C13C14H14A60.0°180.0°
C15C13C14H14B60.0°60.0°
O2C13C14C12118.9°119.9°
O2C13C12C1125.0°162.8°
O2C13C15H15180.0°60.0°
O2C13C15H15A60.0°180.0°
O2C13C15H15B60.0°60.0°
O2C13C14H1460.6°180.0°
O2C13C14H14A59.4°60.0°
O2C13C14H14B179.4°60.0°
C14C13C12C11143.6°77.2°
C14C13C15H1560.7°180.0°
C14C13C15H15A59.3°60.0°
C14C13C15H15B179.3°60.0°
C14C13O2HO259.6°60.0°
C13C14H14H14A120.0°120.0°
C13C14H14H14B120.0°119.9°
C13C14H14AH14B120.0°120.0°
C13C12C11C330.7°80.1°
C12C13C15H1560.2°60.0°
C12C13C15H15A179.7°60.0°
C12C13C15H15B59.8°180.0°
C12C13O2HO259.4°60.0°
C12C13C14H1458.4°60.1°
C12C13C14H14A178.3°59.9°
C12C13C14H14B61.7°180.0°
C16C17C18H17120.0°120.0°
C16C17C18H17A120.0°120.0°
C17C16C19C20111.5°95.0°
C17C16C19C2469.3°85.0°
C17C16O3C1161.1°90.0°
C17C16O3C19121.5°120.0°
C17C16O3H16118.7°120.0°
C17C16C19H16119.9°120.0°
C16C17C18N7164.3°180.0°
C16C17H17H17A120.1°119.9°
C16C17C18H1875.6°60.0°
C16C17C18H18A44.2°60.0°
C18C17C16O372.0°65.0°
C18C17C16C19167.7°175.0°
C17C18N7H18120.1°120.0°
C17C18N7H18A120.1°120.0°
C18C17H17H17A120.1°120.1°
C18C17C16H1647.5°55.0°
C17C18H18H18A119.7°120.0°
C17C18N7HN7180.0°180.0°
C17C18N7HN7A60.0°56.1°
C21C20C19H20180.0°179.8°
C20C21C22H21180.0°180.0°
C20C21C22C230.1°0.1°
C21C20C19C240.4°0.0°
C21C20C19C16179.6°180.0°
C20C21C22H22179.9°180.0°
C19C20C21C220.3°0.0°
C20C19C24C16179.2°179.9°
C20C19C24C230.4°0.0°
C20C19C16O3128.7°145.0°
C19C20C21H21179.8°180.0°
C20C19C24H24179.6°180.0°
C20C19C16H168.4°25.0°
C21C22C23H22180.0°180.0°
C21C22C23C240.0°0.1°
C22C21C20H20179.7°179.8°
C21C22C23H23180.0°180.0°
C22C23C24C190.2°0.0°
C22C23C24H23180.0°180.0°
C23C22C21H21180.0°180.0°
C22C23C24H24179.8°180.0°
C19C24C23H24180.0°180.0°
C24C19C16O350.6°35.0°
C24C19C20H20179.6°179.7°
C24C19C16H16170.8°155.0°
C19C24C23H23179.8°180.0°
C23C24C19C16179.6°180.0°
C24C23C22H22180.0°180.0°
C1O3C16C1977.4°150.0°
C1O3C16H1642.4°30.0°
O3C1C2H20.1°0.0°
C2C1O3C164.9°179.9°
O3C16C19H16120.3°120.0°
O3C16C17H1748.0°55.0°
O3C16C17H17A168.1°175.0°
C19C16C17H1772.3°65.0°
C19C16C17H17A47.7°55.0°
C16C19C20H200.4°0.2°
C16C19C24H240.4°0.0°
N7C18C17H1744.3°60.0°
N7C18C17H17A75.8°60.0°
N7C18H18H18A119.7°120.0°
C18N7HN7HN7A120.0°124.0°
C9N4O1N50.3°0.4°
C9N4O1HN4118.8°179.5°
N5O1N4HN4118.5°179.9°
N4O1N5HN5118.6°179.7°
H7C7C8H859.7°60.0°
H7C7C8H8A60.3°180.0°
H7C7C8H8B179.7°60.0°
H7AC7C8H859.7°180.0°
H7AC7C8H8A179.7°60.0°
H7AC7C8H8B60.3°60.0°
H8C8H8AH8B120.0°119.9°
H15C15H15AH15B119.9°120.0°
H17C17C16H16167.5°175.0°
H17C17C18H18164.4°180.0°
H17C17C18H18A75.8°60.0°
H17AC17C16H1672.5°65.0°
H17AC17C18H1844.3°60.0°
H17AC17C18H18A164.2°180.0°
H20C20C21H210.2°0.3°
H21C21C22H220.0°0.0°
H22C22C23H230.0°0.0°
H24C24C23H230.2°0.0°
H14C14H14AH14B120.0°120.0°
H18C18N7HN759.9°60.0°
H18C18N7HN7A179.9°176.1°
H18AC18N7HN759.9°60.0°
H18AC18N7HN7A60.1°63.9°

246704

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