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U8D

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2N1sing1.37Å1.49ÅAromatic
N1C9sing1.38Å1.42ÅAromatic
N1C13sing1.47Å1.47Å
C3C2doub1.34Å1.60ÅAromatic
C10C2sing1.51Å1.54Å
C11C3sing1.51Å1.53Å
C3C4sing1.47Å1.44ÅAromatic
C5C4doub1.40Å1.48ÅAromatic
C4C9sing1.41Å1.34ÅAromatic
C5C6sing1.38Å1.38ÅAromatic
C5H5sing1.08Å1.08Å
O12C6sing1.36Å1.42Å
C6C7doub1.39Å1.34ÅAromatic
C7C8sing1.38Å1.36ÅAromatic
C7H7sing1.08Å1.08Å
C9C8doub1.39Å1.42ÅAromatic
C8H8sing1.08Å1.08Å
C20C10sing1.53Å1.52Å
C10H10sing1.09Å1.10Å
C10H10Asing1.09Å1.10Å
C21C11sing1.51Å1.52Å
C11H11sing1.09Å1.10Å
C11H11Asing1.09Å1.10Å
C24O12sing1.43Å1.41Å
C13C17sing1.51Å1.52Å
C13H13sing1.09Å1.10Å
C13H13Asing1.09Å1.10Å
C15C14doub1.38Å1.40ÅAromatic
C14C19sing1.38Å1.39ÅAromatic
C14H14sing1.08Å1.08Å
C16C15sing1.38Å1.40ÅAromatic
C15H15sing1.08Å1.08Å
C16C17doub1.38Å1.40ÅAromatic
C16H16sing1.08Å1.08Å
C17C18sing1.38Å1.40ÅAromatic
C18C19doub1.38Å1.39ÅAromatic
C18H18sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
C20H20sing1.09Å1.10Å
C20H20Asing1.09Å1.10Å
C20H20Bsing1.09Å1.10Å
N23C21sing1.35Å1.35Å
C21O22doub1.21Å1.22Å
N23HN23sing0.97Å1.00Å
N23HN2Asing0.97Å1.00Å
C25C24sing1.53Å1.52Å
C24H24sing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
C30C25sing1.53Å1.52Å
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
O27P26doub1.48Å1.52Å
C30P26sing1.82Å1.85Å
P26O29sing1.61Å1.53Å
P26O28sing1.61Å1.53Å
O28HO28sing0.97Å0.95Å
O29HO29sing0.97Å0.95Å
C30H30sing1.09Å1.10Å
C30H30Asing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1C9103.9°109.9°
C2N1C13127.5°125.1°
N1C2C3112.5°109.9°
N1C2C10126.0°125.1°
C9N1C13128.6°125.1°
N1C9C4107.4°107.1°
N1C9C8130.9°133.3°
N1C13C17110.2°109.5°
N1C13H13109.2°109.5°
N1C13H13A109.2°109.5°
C3C2C10121.4°125.0°
C2C3C11124.1°126.5°
C2C3C491.9°107.1°
C2C10C20106.1°109.4°
C2C10H10110.6°109.5°
C2C10H10A110.6°109.5°
C11C3C4143.3°126.5°
C3C11C21109.0°109.5°
C3C11H11109.6°109.5°
C3C11H11A109.6°109.5°
C3C4C5121.6°134.0°
C3C4C9124.1°106.0°
C5C4C9114.1°120.0°
C4C5C6123.2°119.7°
C4C5H5118.4°120.2°
C4C9C8121.7°119.5°
C6C5H5118.4°120.1°
C5C6O12120.5°119.9°
C5C6C7118.7°120.2°
O12C6C7120.8°119.9°
C6O12C24125.5°117.0°
C6C7C8120.8°120.6°
C6C7H7119.6°119.6°
C8C7H7119.6°119.7°
C7C8C9121.5°120.0°
C7C8H8119.2°120.0°
C9C8H8119.2°120.0°
C20C10H10110.6°109.5°
C20C10H10A110.6°109.5°
C10C20H20109.5°109.5°
C10C20H20A109.5°109.5°
C10C20H20B109.5°109.5°
H10C10H10A108.3°109.5°
C21C11H11109.6°109.4°
C21C11H11A109.6°109.5°
C11C21N23120.7°120.0°
C11C21O22119.8°120.0°
H11C11H11A109.3°109.5°
O12C24C25109.0°109.5°
O12C24H24109.6°109.5°
O12C24H24A109.6°109.4°
C17C13H13109.3°109.5°
C17C13H13A109.3°109.4°
C13C17C16121.3°120.0°
C13C17C18118.6°120.0°
H13C13H13A109.7°109.5°
C15C14C19120.2°120.0°
C15C14H14119.9°120.0°
C14C15C16120.2°120.0°
C14C15H15119.9°120.0°
C19C14H14119.9°120.0°
C14C19C18120.2°120.0°
C14C19H19119.9°120.0°
C16C15H15119.9°120.0°
C15C16C17119.4°120.0°
C15C16H16120.3°120.0°
C17C16H16120.3°120.0°
C16C17C18120.1°120.0°
C17C18C19119.9°120.0°
C17C18H18120.0°120.0°
C19C18H18120.1°120.0°
C18C19H19119.9°120.0°
H20C20H20A109.4°109.5°
H20C20H20B109.5°109.5°
H20AC20H20B109.5°109.4°
N23C21O22119.4°120.0°
C21N23HN23120.0°120.0°
C21N23HN2A120.0°120.0°
HN23N23HN2A120.0°120.0°
C25C24H24109.6°109.5°
C25C24H24A109.6°109.5°
C24C25C30112.7°109.5°
C24C25H25108.4°109.5°
C24C25H25A108.4°109.5°
H24C24H24A109.3°109.5°
C30C25H25108.4°109.5°
C30C25H25A108.4°109.4°
C25C30P26111.1°109.5°
C25C30H30108.9°109.5°
C25C30H30A108.9°109.5°
H25C25H25A110.5°109.5°
O27P26C30112.4°109.4°
O27P26O2985.5°109.5°
O27P26O2897.8°109.5°
C30P26O29109.9°109.5°
C30P26O28109.0°109.5°
P26C30H30108.9°109.4°
P26C30H30A108.9°109.4°
O29P26O28136.1°109.5°
P26O29HO29109.5°114.0°
P26O28HO28109.5°114.0°
H30C30H30A110.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2N1C9C13179.6°179.7°
N1C2C3C10176.3°179.9°
N1C2C3C11176.4°180.0°
N1C2C3C44.0°0.0°
C2N1C9C40.3°0.0°
C2N1C9C8179.4°180.0°
N1C2C10C2081.5°84.8°
N1C2C10H10158.5°155.2°
N1C2C10H10A38.5°35.2°
C2N1C13C17126.3°95.4°
C2N1C13H136.2°144.6°
C2N1C13H13A113.7°24.6°
C9N1C2C32.6°0.0°
C9N1C2C10178.7°180.0°
N1C9C4C33.8°0.0°
N1C9C4C5179.7°180.0°
N1C9C4C8179.2°180.0°
N1C9C8C7179.5°180.0°
N1C9C8H80.5°0.0°
C9N1C13C1753.3°85.0°
C9N1C13H13173.3°35.0°
C9N1C13H13A66.7°155.0°
C13N1C2C3177.0°179.7°
C13N1C2C101.0°0.3°
C13N1C9C4179.9°179.7°
C13N1C9C81.0°0.3°
N1C13C17H13120.0°120.0°
N1C13C17H13A120.0°120.0°
N1C13H13H13A119.7°120.0°
N1C13C17C1642.9°85.8°
N1C13C17C18136.7°94.2°
C2C3C11C4167.1°180.0°
C2C3C4C5179.6°180.0°
C2C3C4C94.8°0.0°
C3C2C10C2094.3°95.3°
C3C2C10H1025.7°24.7°
C3C2C10H10A145.8°144.7°
C2C3C11C21140.7°90.0°
C2C3C11H1120.7°150.0°
C2C3C11H11A99.3°30.0°
C10C2C3C117.4°0.0°
C10C2C3C4179.7°180.0°
C2C10C20H10120.0°120.0°
C2C10C20H10A120.0°120.0°
C2C10H10H10A121.4°120.0°
C2C10C20H20180.0°64.9°
C2C10C20H20A60.0°175.1°
C2C10C20H20B60.0°55.1°
C11C3C4C510.3°0.0°
C11C3C4C9174.2°180.0°
C3C11C21H11120.0°120.0°
C3C11C21H11A120.0°120.0°
C3C11H11H11A120.2°120.0°
C3C11C21N2389.5°180.0°
C3C11C21O2287.6°0.0°
C3C4C5C9176.0°179.9°
C3C4C5C6177.3°180.0°
C3C4C5H52.7°0.0°
C3C4C9C8177.0°180.0°
C4C3C11C2126.4°90.0°
C4C3C11H11146.4°30.0°
C4C3C11H11A93.7°150.0°
C4C5C6H5180.0°180.0°
C4C5C6O12179.3°180.0°
C4C5C6C70.9°0.0°
C5C4C9C81.1°0.0°
C9C4C5C61.3°0.0°
C9C4C5H5178.7°180.0°
C4C9C8C70.5°0.0°
C4C9C8H8179.5°180.0°
C5C6O12C7179.8°180.0°
C5C6C7C80.1°0.0°
C5C6C7H7179.9°180.0°
C5C6O12C2428.7°180.0°
H5C5C6O120.6°0.0°
H5C5C6C7179.2°180.0°
O12C6C7C8179.9°180.0°
O12C6C7H70.1°0.0°
C6O12C24C25122.6°180.0°
C6O12C24H242.6°60.0°
C6O12C24H24A117.4°60.0°
C6C7C8H7180.0°180.0°
C6C7C8C90.1°0.0°
C6C7C8H8179.9°180.0°
C7C6O12C24151.1°0.0°
C7C8C9H8180.0°180.0°
H7C7C8C9179.9°180.0°
H7C7C8H80.2°0.0°
C20C10H10H10A121.4°120.0°
C10C20H20H20A120.0°120.0°
C10C20H20H20B120.0°120.0°
C10C20H20AH20B120.0°120.0°
H10C10C20H2060.0°55.1°
H10C10C20H20A180.0°64.9°
H10C10C20H20B60.0°175.1°
H10AC10C20H2060.0°175.1°
H10AC10C20H20A60.0°55.1°
H10AC10C20H20B180.0°64.9°
C21C11H11H11A120.2°120.0°
C11C21N23O22177.2°180.0°
C11C21N23HN23177.2°0.0°
C11C21N23HN2A2.8°180.0°
H11C11C21N23150.4°60.0°
H11C11C21O2232.4°120.0°
H11AC11C21N2330.5°60.0°
H11AC11C21O22152.3°120.0°
O12C24C25H24120.0°120.0°
O12C24C25H24A120.0°119.9°
O12C24H24H24A120.2°119.9°
O12C24C25C3094.1°180.0°
O12C24C25H25145.9°60.0°
O12C24C25H25A25.9°60.0°
C17C13H13H13A119.7°120.0°
C13C17C16C15179.6°180.0°
C13C17C16C18179.6°180.0°
C13C17C16H160.3°0.1°
C13C17C18C19179.5°180.0°
C13C17C18H180.4°0.1°
H13C13C17C1677.1°34.2°
H13C13C17C18103.3°145.8°
H13AC13C17C16162.9°154.2°
H13AC13C17C1816.7°25.8°
C15C14C19H14180.0°179.8°
C14C15C16H15180.0°179.9°
C14C15C16C170.1°0.0°
C14C15C16H16179.8°179.9°
C15C14C19C180.0°0.0°
C15C14C19H19180.0°179.7°
C19C14C15C160.1°0.0°
C19C14C15H15179.8°179.9°
C14C19C18C170.1°0.0°
C14C19C18H19180.0°179.7°
C14C19C18H18179.9°179.9°
H14C14C15C16179.9°179.8°
H14C14C15H150.2°0.3°
H14C14C19C18180.0°179.8°
H14C14C19H190.0°0.1°
C15C16C17H16180.0°179.9°
C15C16C17C180.0°0.0°
H15C15C16C17179.8°179.9°
H15C15C16H160.2°0.0°
C16C17C18C190.1°0.0°
C16C17C18H18179.9°179.9°
H16C16C17C18179.9°179.9°
C17C18C19H18180.0°179.9°
C17C18C19H19179.9°179.7°
H18C18C19H190.1°0.3°
H20C20H20AH20B120.0°120.0°
C21N23HN23HN2A180.0°180.0°
O22C21N23HN230.0°180.0°
O22C21N23HN2A180.0°0.0°
C25C24H24H24A120.2°120.0°
C24C25C30H25120.0°120.1°
C24C25C30H25A120.0°120.0°
C24C25H25H25A118.7°120.0°
C24C25C30P26146.9°180.0°
C24C25C30H3026.9°60.0°
C24C25C30H30A93.1°60.1°
H24C24C25C3025.9°60.0°
H24C24C25H2594.1°180.0°
H24C24C25H25A145.9°60.0°
H24AC24C25C30145.9°60.1°
H24AC24C25H2525.9°60.0°
H24AC24C25H25A94.2°180.0°
C30C25H25H25A118.6°120.0°
C25C30P26O27127.4°55.1°
C25C30P26H30120.0°120.0°
C25C30P26H30A120.0°120.0°
C25C30P26O29139.2°175.0°
C25C30P26O2820.1°65.0°
C25C30H30H30A119.3°120.0°
H25C25C30P2693.1°60.0°
H25C25C30H30147.0°180.0°
H25C25C30H30A26.9°60.0°
H25AC25C30P2626.9°60.0°
H25AC25C30H3093.1°60.0°
H25AC25C30H30A146.9°180.0°
O27P26C30O2993.4°120.0°
O27P26C30O28107.3°120.0°
O27P26O29O2896.6°120.0°
O27P26O28HO280.0°179.9°
O27P26O29HO290.0°60.1°
O27P26C30H30112.6°65.0°
O27P26C30H30A7.4°175.1°
C30P26O29O28151.2°120.0°
C30P26O28HO28117.0°60.0°
C30P26O29HO29112.2°180.0°
P26C30H30H30A119.4°119.9°
O29P26O28HO2891.6°60.0°
O29P26C30H3019.2°55.0°
O29P26C30H30A100.8°65.0°
O28P26O29HO2996.6°60.0°
O28P26C30H30140.1°175.0°
O28P26C30H30A99.9°55.0°

246704

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