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AXH

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.53Å
C2C19sing1.51Å1.53Å
C2N3sing1.47Å1.48Å
C25C26doub1.38Å1.40ÅAromatic
C25C24sing1.39Å1.40ÅAromatic
C19C23doub1.33Å1.34ÅAromatic
C19S20sing1.76Å1.67ÅAromatic
C23C22sing1.39Å1.36ÅAromatic
C26C27sing1.38Å1.40ÅAromatic
N3C4sing1.38Å1.35Å
S20C21sing1.76Å1.68ÅAromatic
C22C24sing1.48Å1.40Å
C22C21doub1.35Å1.35ÅAromatic
C24C29doub1.39Å1.42ÅAromatic
N17C4doub1.33Å1.35ÅAromatic
N17C16sing1.32Å1.35ÅAromatic
C4C5sing1.42Å1.42ÅAromatic
C27C28doub1.38Å1.40ÅAromatic
C18C16sing1.51Å1.53Å
C16N15doub1.31Å1.34ÅAromatic
C5C6doub1.40Å1.41ÅAromatic
C5C14sing1.42Å1.40ÅAromatic
C29C28sing1.38Å1.40ÅAromatic
C29C30sing1.51Å1.55Å
C6C7sing1.37Å1.40ÅAromatic
C9O8sing1.43Å1.43Å
N15C14sing1.34Å1.35ÅAromatic
C14C13doub1.40Å1.40ÅAromatic
C7O8sing1.36Å1.37Å
C7C10doub1.40Å1.40ÅAromatic
C30N31sing1.47Å1.47Å
C13C10sing1.38Å1.40ÅAromatic
C10O11sing1.36Å1.37Å
N31C32sing1.47Å1.48Å
O11C12sing1.43Å1.44Å
N3H1sing0.97Å1.00Å
C6H2sing1.08Å1.08Å
C13H3sing1.08Å1.08Å
C21H4sing1.08Å1.08Å
C26H5sing1.08Å1.08Å
C28H6sing1.08Å1.08Å
C12H7sing1.09Å1.10Å
C12H8sing1.09Å1.10Å
C12H9sing1.09Å1.10Å
C9H10sing1.09Å1.10Å
C9H11sing1.09Å1.10Å
C9H12sing1.09Å1.10Å
C18H13sing1.09Å1.10Å
C18H14sing1.09Å1.10Å
C18H15sing1.09Å1.10Å
C2H16sing1.09Å1.10Å
C1H17sing1.09Å1.10Å
C1H18sing1.09Å1.10Å
C1H19sing1.09Å1.10Å
C23H20sing1.08Å1.08Å
C25H21sing1.08Å1.08Å
C27H22sing1.08Å1.08Å
C30H23sing1.09Å1.10Å
C30H24sing1.09Å1.10Å
N31H25sing1.01Å1.00Å
C32H27sing1.09Å1.10Å
C32H28sing1.09Å1.10Å
C32H29sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2C19111.2°109.5°
C1C2N3109.5°109.5°
C1C2H16108.9°109.5°
C2C1H17109.5°109.5°
C2C1H18109.5°109.5°
C2C1H19109.5°109.4°
C19C2N3108.7°109.5°
C2C19C23127.2°125.0°
C2C19S20123.9°125.0°
C19C2H16108.9°109.5°
C2N3C4124.6°120.0°
C2N3H1105.6°120.0°
N3C2H16109.6°109.5°
C26C25C24120.7°119.9°
C25C26C27119.5°120.1°
C25C26H5120.2°120.0°
C26C25H21119.6°120.0°
C25C24C22118.4°120.1°
C25C24C29120.2°119.7°
C24C25H21119.6°120.1°
C23C19S20108.9°110.0°
C19C23C22114.5°114.9°
C19C23H20122.8°122.6°
C19S20C2194.2°91.2°
C23C22C24123.6°122.8°
C23C22C21114.0°114.5°
C22C23H20122.7°122.5°
C26C27C28119.9°120.2°
C27C26H5120.2°120.0°
C26C27H22120.1°119.9°
N3C4N17118.9°120.9°
N3C4C5122.4°120.9°
C4N3H1105.6°120.0°
S20C21C22108.4°109.5°
S20C21H4125.8°125.2°
C24C22C21122.4°122.8°
C22C24C29121.4°120.1°
C22C21H4125.8°125.2°
C24C29C28118.1°119.9°
C24C29C30125.2°120.1°
C4N17C16121.6°121.5°
N17C4C5118.7°118.2°
N17C16C18120.0°118.5°
N17C16N15120.5°123.0°
C4C5C6123.6°122.0°
C4C5C14118.3°118.2°
C27C28C29121.5°120.1°
C27C28H6119.2°120.0°
C28C27H22120.0°119.8°
C18C16N15119.5°118.5°
C16C18H13109.5°109.5°
C16C18H14109.5°109.5°
C16C18H15109.5°109.5°
C16N15C14121.3°120.5°
C6C5C14118.1°119.9°
C5C6C7121.7°119.7°
C5C6H2119.2°120.1°
C5C14N15119.6°118.7°
C5C14C13120.5°119.5°
C28C29C30116.7°120.1°
C29C28H6119.3°119.9°
C29C30N31113.0°109.5°
C29C30H23108.6°109.5°
C29C30H24108.6°109.5°
C6C7O8122.2°119.6°
C6C7C10119.6°120.8°
C7C6H2119.2°120.2°
C9O8C7117.5°117.0°
O8C9H10109.5°109.5°
O8C9H11109.5°109.5°
O8C9H12109.5°109.5°
N15C14C13119.8°121.9°
C14C13C10120.8°119.5°
C14C13H3119.6°120.2°
O8C7C10118.1°119.6°
C7C10C13119.3°120.7°
C7C10O11118.4°119.7°
C30N31C32111.2°111.0°
N31C30H23108.6°109.5°
N31C30H24108.6°109.5°
C30N31H25109.0°111.0°
C13C10O11122.3°119.6°
C10C13H3119.6°120.3°
C10O11C12116.8°117.0°
C32N31H25109.0°111.0°
N31C32H27109.5°109.5°
N31C32H28109.5°109.5°
N31C32H29109.5°109.5°
O11C12H7109.5°109.5°
O11C12H8109.5°109.4°
O11C12H9109.5°109.5°
H7C12H8109.5°109.5°
H7C12H9109.5°109.5°
H8C12H9109.4°109.4°
H10C9H11109.5°109.5°
H10C9H12109.4°109.4°
H11C9H12109.4°109.5°
H13C18H14109.4°109.5°
H13C18H15109.5°109.4°
H14C18H15109.5°109.4°
H17C1H18109.5°109.5°
H17C1H19109.5°109.5°
H18C1H19109.5°109.5°
H23C30H24109.5°109.5°
H27C32H28109.4°109.4°
H27C32H29109.5°109.5°
H28C32H29109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2C19N3120.6°120.0°
C1C2C19H16120.0°120.0°
C1C2N3H16119.4°120.0°
C1C2C19C2333.9°100.0°
C1C2C19S20147.0°79.7°
C1C2N3C4155.4°85.0°
C1C2N3H133.4°95.3°
C2C1H17H18120.0°120.0°
C2C1H17H19120.0°119.9°
C2C1H18H19120.0°119.9°
C19C2N3H16119.0°120.0°
C2C19C23S20179.2°179.8°
C2C19C23C22179.6°180.0°
C19C2N3C482.9°155.0°
C2C19S20C21179.8°179.9°
C19C2N3H1155.0°24.7°
C19C2C1H17180.0°180.0°
C19C2C1H1860.0°60.0°
C19C2C1H1960.0°60.0°
C2C19C23H200.4°0.3°
N3C2C19C2386.7°140.0°
N3C2C19S2092.4°40.3°
C2N3C4H1122.1°179.6°
C2N3C4N1711.9°0.1°
C2N3C4C5169.1°179.7°
N3C2C1H1759.9°60.0°
N3C2C1H18179.9°180.0°
N3C2C1H1960.1°60.0°
C26C25C24H21180.0°179.9°
C25C26C27H5180.0°179.7°
C26C25C24C22179.8°180.0°
C26C25C24C290.4°0.2°
C25C26C27C280.1°0.3°
C25C26C27H22179.9°179.7°
C25C24C22C2355.7°56.3°
C24C25C26C270.0°0.0°
C25C24C22C29179.8°179.8°
C25C24C22C21124.5°123.7°
C25C24C29C280.6°0.2°
C25C24C29C30179.6°179.7°
C24C25C26H5180.0°179.7°
C19C23C22H20180.0°179.7°
C23C19S20C210.6°0.3°
C19C23C22C24179.8°180.0°
C19C23C22C210.0°0.0°
C23C19C2H16153.9°20.0°
S20C19C23C220.4°0.3°
C19S20C21C220.5°0.4°
C19S20C21H4179.4°179.9°
S20C19C2H1627.0°160.3°
S20C19C23H20179.6°180.0°
C23C22C21S200.4°0.3°
C23C22C24C21179.8°180.0°
C23C22C24C29124.1°123.5°
C23C22C21H4179.6°180.0°
C26C27C28H22180.0°180.0°
C26C27C28C290.2°0.3°
C26C27C28H6179.8°180.0°
C27C26C25H21180.0°180.0°
N3C4N17C5179.0°179.8°
N3C4N17C16179.5°179.7°
N3C4C5C60.9°0.0°
N3C4C5C14179.4°180.0°
C4N3C2H1636.0°34.9°
S20C21C22C24179.4°179.7°
S20C21C22H4180.0°179.7°
C22C24C29C28179.6°180.0°
C22C24C29C300.6°0.0°
C24C22C21H40.6°0.0°
C24C22C23H200.2°0.3°
C22C24C25H210.2°0.0°
C21C22C24C2955.7°56.5°
C21C22C23H20180.0°179.7°
C24C29C28C270.5°0.0°
C24C29C28C30179.1°180.0°
C24C29C30N31125.1°73.8°
C24C29C28H6179.5°179.7°
C29C24C25H21179.6°179.7°
C24C29C30H23114.4°46.2°
C24C29C30H244.6°166.2°
C4N17C16C18179.9°179.8°
C4N17C16N150.4°0.6°
N17C4C5C6179.9°179.8°
N17C4C5C140.5°0.3°
N17C4N3H1110.2°179.7°
C16N17C4C50.5°0.5°
N17C16C18N15179.8°179.7°
N17C16N15C140.2°0.3°
N17C16C18H130.0°89.8°
N17C16C18H14120.0°30.3°
N17C16C18H15120.0°150.3°
C4C5C6C14179.6°180.0°
C4C5C6C7179.9°180.0°
C4C5C14N150.3°0.0°
C4C5C14C13180.0°180.0°
C5C4N3H168.8°0.1°
C4C5C6H20.1°0.0°
C27C28C29H6180.0°179.7°
C27C28C29C30179.6°180.0°
C28C27C26H5179.9°180.0°
C18C16N15C14180.0°180.0°
C16C18H13H14120.0°120.1°
C16C18H13H15120.0°120.0°
C16C18H14H15120.0°120.0°
C16N15C14C50.2°0.1°
C16N15C14C13179.9°180.0°
N15C16C18H13179.7°89.9°
N15C16C18H1459.8°150.0°
N15C16C18H1560.2°30.1°
C5C6C7H2180.0°180.0°
C6C5C14N15180.0°180.0°
C6C5C14C130.3°0.0°
C5C6C7O8179.9°180.0°
C5C6C7C100.3°0.0°
C14C5C6C70.2°0.1°
C5C14N15C13179.7°180.0°
C5C14C13C100.4°0.0°
C14C5C6H2179.7°180.0°
C5C14C13H3179.6°180.0°
C28C29C30N3155.9°106.1°
C29C28C27H22179.8°179.7°
C28C29C30H2364.6°133.9°
C28C29C30H24176.4°13.8°
C29C30N31H23120.5°120.0°
C29C30N31H24120.5°120.0°
C29C30N31C32179.8°175.1°
C30C29C28H60.4°0.3°
C29C30H23H24118.4°120.0°
C29C30N31H2560.0°51.2°
C6C7O8C93.4°0.0°
C6C7O8C10179.6°180.0°
C6C7C10C130.4°0.0°
C6C7C10O11179.8°180.0°
C9O8C7C10177.0°180.0°
O8C9H10H11120.0°120.0°
O8C9H10H12120.0°120.0°
O8C9H11H12120.0°120.1°
N15C14C13C10179.9°180.0°
N15C14C13H30.1°0.1°
C14C13C10C70.5°0.0°
C14C13C10H3180.0°179.9°
C14C13C10O11179.7°180.0°
O8C7C10C13180.0°180.0°
O8C7C10O110.2°0.0°
O8C7C6H20.1°0.0°
C7O8C9H10180.0°60.0°
C7O8C9H1160.0°60.0°
C7O8C9H1260.0°180.0°
C7C10C13O11179.8°180.0°
C7C10O11C12179.8°180.0°
C10C7C6H2179.7°180.0°
C7C10C13H3179.6°179.9°
C30N31C32H25120.2°123.9°
N31C30H23H24118.4°120.0°
C30N31C32H27180.0°60.0°
C30N31C32H2860.0°179.9°
C30N31C32H2960.0°60.0°
C13C10O11C120.4°0.0°
O11C10C13H30.3°0.0°
C10O11C12H7180.0°60.0°
C10O11C12H860.0°60.0°
C10O11C12H960.0°180.0°
C32N31C30H2359.2°64.9°
C32N31C30H2459.7°55.1°
N31C32H27H28120.0°119.9°
N31C32H27H29120.0°120.0°
N31C32H28H29120.0°120.1°
O11C12H7H8120.0°120.0°
O11C12H7H9120.0°120.0°
O11C12H8H9120.0°120.0°
H1N3C2H1686.0°144.7°
H5C26C25H210.0°0.3°
H5C26C27H220.1°0.0°
H6C28C27H220.2°0.0°
H7C12H8H9120.0°120.0°
H10C9H11H12120.0°120.0°
H13C18H14H15120.0°119.9°
H16C2C1H1759.9°60.0°
H16C2C1H1860.1°60.0°
H16C2C1H19180.0°180.0°
H17C1H18H19120.0°120.1°
H23C30N31H25179.5°171.2°
H24C30N31H2560.5°68.8°
H25N31C32H2759.8°63.9°
H25N31C32H28179.8°56.0°
H25N31C32H2960.2°176.1°
H27C32H28H29120.0°120.0°

246704

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