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47W

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1O2sing1.43Å1.43Å
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C1H1Bsing1.09Å1.10Å
O2C3sing1.36Å1.37Å
C3C4doub1.39Å1.39ÅAromatic
C3C22sing1.39Å1.41ÅAromatic
C4C5sing1.39Å1.39ÅAromatic
C4H4sing1.08Å1.08Å
C5O6sing1.36Å1.38Å
C5C20doub1.39Å1.39ÅAromatic
O6C7sing1.43Å1.46Å
C7C8sing1.47Å1.48Å
C7H7sing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
C8C9trip1.17Å1.20Å
C9C10sing1.43Å1.44Å
C10C11doub1.41Å1.39ÅAromatic
C10C19sing1.39Å1.39ÅAromatic
C11C12sing1.36Å1.38ÅAromatic
C11H11sing1.08Å1.08Å
C12C13doub1.40Å1.40ÅAromatic
C12H12sing1.08Å1.08Å
C13C14sing1.41Å1.40ÅAromatic
C13C18sing1.42Å1.41ÅAromatic
C14C15doub1.36Å1.38ÅAromatic
C14H14sing1.08Å1.08Å
C15N16sing1.33Å1.34ÅAromatic
C15H15sing1.08Å1.08Å
N16C17doub1.31Å1.34ÅAromatic
C17C18sing1.41Å1.40ÅAromatic
C17H17sing1.08Å1.08Å
C18C19doub1.40Å1.39ÅAromatic
C19H19sing1.08Å1.08Å
C20C21sing1.38Å1.39ÅAromatic
C20H20sing1.08Å1.08Å
C21C22doub1.38Å1.40ÅAromatic
C21H21sing1.08Å1.08Å
C22C23sing1.51Å1.52Å
C23N24sing1.47Å1.51Å
C23H23sing1.09Å1.10Å
C23H23Asing1.09Å1.10Å
N24C26sing1.47Å1.50Å
N24C32sing1.47Å1.50Å
N24HN24sing1.01Å1.00Å
C26C27sing1.53Å1.52Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C27N28sing1.47Å1.49Å
C27H27sing1.09Å1.10Å
C27H27Asing1.09Å1.10Å
N28C31sing1.47Å1.49Å
N28HN28sing1.01Å1.00Å
N28HN2Asing1.01Å1.00Å
C31C32sing1.53Å1.53Å
C31H31sing1.09Å1.10Å
C31H31Asing1.09Å1.10Å
C32H32sing1.09Å1.10Å
C32H32Asing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2C1H1109.5°109.5°
O2C1H1A109.5°109.5°
O2C1H1B109.4°109.5°
C1O2C3118.4°117.0°
H1C1H1A109.5°109.5°
H1C1H1B109.5°109.4°
H1AC1H1B109.5°109.5°
O2C3C4125.0°120.0°
O2C3C22115.2°120.0°
C4C3C22119.8°119.9°
C3C4C5120.8°119.9°
C3C4H4119.6°120.0°
C3C22C21118.7°120.1°
C3C22C23121.5°120.0°
C5C4H4119.6°120.1°
C4C5O6118.5°120.0°
C4C5C20119.6°119.9°
O6C5C20121.9°120.0°
C5O6C7120.8°117.0°
C5C20C21120.1°120.1°
C5C20H20119.9°120.0°
O6C7C8106.5°109.5°
O6C7H7110.2°109.4°
O6C7H7A110.2°109.4°
C8C7H7110.2°109.5°
C8C7H7A110.2°109.5°
C7C8C9179.8°180.0°
H7C7H7A109.5°109.5°
C8C9C10179.7°180.0°
C9C10C11120.9°119.7°
C9C10C19119.9°119.7°
C11C10C19119.2°120.6°
C10C11C12120.5°120.9°
C10C11H11119.7°119.5°
C10C19C18121.3°119.3°
C10C19H19119.4°120.3°
C12C11H11119.8°119.6°
C11C12C13120.6°119.8°
C11C12H12119.7°120.0°
C13C12H12119.7°120.1°
C12C13C14122.7°122.0°
C12C13C18119.3°119.9°
C14C13C18117.9°118.2°
C13C14C15119.5°118.8°
C13C14H14120.3°120.6°
C13C18C17118.1°118.6°
C13C18C19119.1°119.5°
C15C14H14120.2°120.7°
C14C15N16123.1°121.9°
C14C15H15118.5°119.1°
N16C15H15118.4°119.0°
C15N16C17118.2°122.8°
N16C17C18123.2°119.9°
N16C17H17118.4°120.1°
C18C17H17118.4°120.1°
C17C18C19122.8°121.9°
C18C19H19119.4°120.4°
C21C20H20119.9°120.0°
C20C21C22120.9°120.1°
C20C21H21119.5°119.9°
C22C21H21119.6°120.0°
C21C22C23119.8°120.0°
C22C23N24115.9°109.5°
C22C23H23107.9°109.5°
C22C23H23A107.9°109.5°
N24C23H23107.8°109.5°
N24C23H23A107.8°109.5°
C23N24C26111.2°109.5°
C23N24C32110.1°109.5°
C23N24HN24108.3°109.4°
H23C23H23A109.5°109.4°
C26N24C32110.2°109.5°
C26N24HN24108.5°109.4°
N24C26C27110.1°109.5°
N24C26H26109.3°109.5°
N24C26H26A109.3°109.5°
C32N24HN24108.4°109.5°
N24C32C31111.8°109.5°
N24C32H32108.9°109.5°
N24C32H32A108.9°109.5°
C27C26H26109.3°109.5°
C27C26H26A109.3°109.4°
C26C27N28110.0°109.5°
C26C27H27109.3°109.5°
C26C27H27A109.3°109.5°
H26C26H26A109.5°109.5°
N28C27H27109.3°109.4°
N28C27H27A109.4°109.5°
C27N28C31111.4°109.4°
C27N28HN28109.0°109.5°
C27N28HN2A109.0°109.5°
H27C27H27A109.5°109.4°
C31N28HN28109.0°109.5°
C31N28HN2A109.0°109.5°
N28C31C32110.7°109.5°
N28C31H31109.2°109.5°
N28C31H31A109.2°109.5°
HN28N28HN2A109.5°109.5°
C32C31H31109.2°109.5°
C32C31H31A109.2°109.5°
C31C32H32108.9°109.5°
C31C32H32A108.9°109.5°
H31C31H31A109.4°109.5°
H32C32H32A109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2C1H1H1A120.0°120.0°
O2C1H1H1B120.0°120.0°
O2C1H1AH1B119.9°120.0°
C1O2C3C42.5°0.1°
C1O2C3C22177.3°179.8°
H1C1H1AH1B120.0°120.0°
H1C1O2C3180.0°60.0°
H1AC1O2C360.0°180.0°
H1BC1O2C360.0°59.9°
O2C3C4C22179.9°179.8°
O2C3C4C5179.9°180.0°
O2C3C4H40.1°0.0°
O2C3C22C21180.0°179.7°
O2C3C22C230.4°0.1°
C3C4C5H4180.0°180.0°
C3C4C5O6180.0°179.9°
C3C4C5C200.0°0.0°
C4C3C22C210.2°0.4°
C4C3C22C23179.7°179.8°
C22C3C4C50.1°0.2°
C22C3C4H4179.9°179.8°
C3C22C21C200.1°0.5°
C3C22C21C23179.5°179.8°
C3C22C21H21179.9°179.7°
C3C22C23N2461.5°80.0°
C3C22C23H2359.5°159.9°
C3C22C23H23A177.6°40.0°
C4C5O6C20179.9°179.9°
C4C5O6C7174.5°180.0°
C4C5C20C210.1°0.1°
C4C5C20H20180.0°180.0°
H4C4C5O60.0°0.1°
H4C4C5C20180.0°180.0°
C5O6C7C8179.4°180.0°
C5O6C7H761.1°60.0°
C5O6C7H7A59.9°60.0°
O6C5C20C21180.0°180.0°
O6C5C20H200.0°0.1°
C20C5O6C75.4°0.0°
C5C20C21H20180.0°179.9°
C5C20C21C220.0°0.3°
C5C20C21H21180.0°179.9°
O6C7C8H7119.5°120.0°
O6C7C8H7A119.5°120.0°
O6C7H7H7A121.4°120.0°
O6C7C8C994.6°125.2°
C8C7H7H7A121.4°120.0°
C7C8C9C10145.0°172.7°
H7C7C8C925.0°5.2°
H7AC7C8C9145.9°114.9°
C8C9C10C11169.8°132.5°
C8C9C10C1910.1°47.3°
C9C10C11C19179.9°179.8°
C9C10C11C12180.0°180.0°
C9C10C11H110.0°0.1°
C9C10C19C18179.9°179.8°
C9C10C19H190.1°0.1°
C10C11C12H11180.0°179.9°
C10C11C12C130.0°0.0°
C10C11C12H12180.0°180.0°
C11C10C19C180.0°0.5°
C11C10C19H19180.0°179.7°
C19C10C11C120.0°0.2°
C19C10C11H11180.0°179.7°
C10C19C18C130.1°0.5°
C10C19C18C17179.9°179.8°
C10C19C18H19180.0°179.8°
C11C12C13H12180.0°180.0°
C11C12C13C14180.0°180.0°
C11C12C13C180.1°0.0°
H11C11C12C13180.0°180.0°
H11C11C12H120.0°0.1°
C12C13C14C18179.9°179.9°
C12C13C14C15179.9°180.0°
C12C13C14H140.1°0.1°
C12C13C18C17179.9°180.0°
C12C13C18C190.1°0.2°
H12C12C13C140.0°0.1°
H12C12C13C18179.9°180.0°
C13C14C15H14180.0°180.0°
C13C14C15N160.0°0.0°
C13C14C15H15180.0°179.9°
C14C13C18C170.0°0.0°
C14C13C18C19180.0°179.7°
C18C13C14C150.0°0.0°
C18C13C14H14180.0°180.0°
C13C18C17N160.1°0.0°
C13C18C17C19180.0°179.8°
C13C18C17H17179.9°180.0°
C13C18C19H19179.9°179.7°
C14C15N16H15180.0°179.9°
C14C15N16C170.1°0.0°
H14C14C15N16180.0°180.0°
H14C14C15H150.1°0.1°
C15N16C17C180.1°0.0°
C15N16C17H17179.9°180.0°
H15C15N16C17179.9°179.9°
N16C17C18H17180.0°180.0°
N16C17C18C19179.9°179.7°
C17C18C19H190.1°0.1°
H17C17C18C190.1°0.3°
C20C21C22H21180.0°179.8°
C20C21C22C23179.7°179.7°
H20C20C21C22180.0°179.8°
H20C20C21H210.0°0.0°
C21C22C23N24119.0°99.8°
C21C22C23H23120.1°20.3°
C21C22C23H23A1.9°140.2°
H21C21C22C230.4°0.1°
C22C23N24H23120.9°120.0°
C22C23N24H23A121.0°120.0°
C22C23H23H23A117.1°120.0°
C22C23N24C2667.8°175.0°
C22C23N24C32169.7°65.0°
C22C23N24HN2451.3°55.0°
N24C23H23H23A117.1°120.0°
C23N24C26C32122.4°120.0°
C23N24C26HN24119.0°119.9°
C23N24C32HN24118.3°120.0°
C23N24C26C27179.8°180.0°
C23N24C26H2660.1°60.0°
C23N24C26H26A59.7°60.0°
C23N24C32C31178.4°180.0°
C23N24C32H3261.2°60.0°
C23N24C32H32A58.0°60.0°
H23C23N24C26171.2°65.0°
H23C23N24C3248.7°55.1°
H23C23N24HN2469.6°175.1°
H23AC23N24C2653.1°54.9°
H23AC23N24C3269.4°175.0°
H23AC23N24HN24172.3°65.0°
C26N24C32HN24118.6°120.0°
N24C26C27H26120.1°120.0°
N24C26C27H26A120.1°120.1°
N24C26H26H26A119.7°120.1°
N24C26C27N2859.7°60.0°
N24C26C27H27179.7°180.0°
N24C26C27H27A60.4°60.0°
C26N24C32C3155.3°60.0°
C26N24C32H32175.7°180.0°
C26N24C32H32A65.1°60.0°
C32N24C26C2757.8°60.0°
C32N24C26H2662.3°60.0°
C32N24C26H26A177.9°180.0°
N24C32C31N2853.9°60.0°
N24C32C31H32120.4°120.0°
N24C32C31H32A120.3°120.0°
N24C32C31H31174.1°180.0°
N24C32C31H31A66.3°60.0°
N24C32H32H32A118.9°120.0°
HN24N24C26C2760.7°60.0°
HN24N24C26H26179.2°180.0°
HN24N24C26H26A59.4°59.9°
HN24N24C32C3163.3°60.0°
HN24N24C32H3257.0°60.0°
HN24N24C32H32A176.3°180.0°
C27C26H26H26A119.7°119.9°
C26C27N28H27120.1°120.0°
C26C27N28H27A120.1°120.0°
C26C27H27H27A119.8°120.1°
C26C27N28C3158.7°60.0°
C26C27N28HN2861.6°60.0°
C26C27N28HN2A179.0°180.0°
H26C26C27N2860.4°60.0°
H26C26C27H2759.7°60.0°
H26C26C27H27A179.5°180.0°
H26AC26C27N28179.8°179.9°
H26AC26C27H2760.2°60.0°
H26AC26C27H27A59.7°60.1°
N28C27H27H27A119.8°119.9°
C27N28C31HN28120.3°120.0°
C27N28C31HN2A120.3°120.0°
C27N28HN28HN2A119.1°120.0°
C27N28C31C3255.6°60.0°
C27N28C31H31175.8°180.0°
C27N28C31H31A64.6°60.0°
H27C27N28C31178.8°179.9°
H27C27N28HN2858.5°60.0°
H27C27N28HN2A61.0°60.0°
H27AC27N28C3161.4°60.0°
H27AC27N28HN28178.3°180.0°
H27AC27N28HN2A58.9°59.9°
C31N28HN28HN2A119.1°120.0°
N28C31C32H31120.2°120.0°
N28C31C32H31A120.2°120.0°
N28C31H31H31A119.4°120.0°
N28C31C32H32174.2°180.0°
N28C31C32H32A66.5°60.0°
HN28N28C31C3264.7°60.0°
HN28N28C31H3155.5°60.0°
HN28N28C31H31A175.1°180.0°
HN2AN28C31C32175.9°180.0°
HN2AN28C31H3163.9°60.0°
HN2AN28C31H31A55.7°60.0°
C32C31H31H31A119.4°120.0°
C31C32H32H32A118.9°120.0°
H31C31C32H3265.5°60.0°
H31C31C32H32A53.7°60.0°
H31AC31C32H3254.0°60.0°
H31AC31C32H32A173.3°180.0°

222415

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