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M9R

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O25C24doub1.22Å1.22Å
C31C30doub1.38Å1.39ÅAromatic
C31C26sing1.40Å1.39ÅAromatic
C30C29sing1.39Å1.39ÅAromatic
C24C26sing1.48Å1.51Å
C24N23sing1.35Å1.34Å
C26C27doub1.40Å1.39ÅAromatic
N23C15sing1.40Å1.35Å
C29F32sing1.35Å1.34Å
C29C28doub1.39Å1.38ÅAromatic
C27C28sing1.38Å1.38ÅAromatic
C15C16doub1.38Å1.38ÅAromatic
C15C14sing1.40Å1.39ÅAromatic
C16C17sing1.40Å1.38ÅAromatic
O22C20doub1.22Å1.24Å
C17C20sing1.47Å1.50Å
C17C18doub1.40Å1.37ÅAromatic
C20O21sing1.35Å1.24Å
C14N11sing1.39Å1.40Å
C14C19doub1.39Å1.38ÅAromatic
C12N11sing1.47Å1.45Å
C12C13sing1.53Å1.51Å
C09C10sing1.53Å1.52Å
C09N08sing1.47Å1.44Å
N11C10sing1.47Å1.45Å
N08C01sing1.40Å1.38Å
N08C13sing1.47Å1.44Å
C02C01doub1.39Å1.37ÅAromatic
C02C03sing1.38Å1.38ÅAromatic
C01C06sing1.39Å1.38ÅAromatic
C03C04doub1.38Å1.38ÅAromatic
C19C18sing1.38Å1.38ÅAromatic
C06C05doub1.38Å1.38ÅAromatic
C04C05sing1.38Å1.37ÅAromatic
F33C07sing1.40Å1.27Å
C05C07sing1.51Å1.48Å
F35C07sing1.40Å1.28Å
C07F34sing1.40Å1.29Å
C04H1sing1.08Å1.08Å
C03H2sing1.08Å1.08Å
C02H3sing1.08Å1.08Å
C06H4sing1.08Å1.08Å
C13H5sing1.09Å1.10Å
C13H6sing1.09Å1.10Å
C12H7sing1.09Å1.10Å
C12H8sing1.09Å1.10Å
C10H9sing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C09H11sing1.09Å1.10Å
C09H12sing1.09Å1.10Å
C19H13sing1.08Å1.08Å
C18H14sing1.08Å1.08Å
O21H15sing0.97Å0.95Å
C16H16sing1.08Å1.08Å
N23H17sing0.97Å1.00Å
C31H18sing1.08Å1.08Å
C30H19sing1.08Å1.08Å
C28H20sing1.08Å1.08Å
C27H21sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O25C24C26116.8°120.0°
O25C24N23120.5°120.0°
C30C31C26120.4°119.9°
C31C30C29119.9°120.1°
C30C31H18119.8°120.0°
C31C30H19120.1°120.0°
C31C26C24118.6°120.1°
C31C26C27118.3°119.8°
C26C31H18119.8°120.1°
C30C29F32120.8°119.9°
C30C29C28120.3°120.3°
C29C30H19120.0°119.9°
C26C24N23122.7°120.0°
C24C26C27123.1°120.2°
C24N23C15127.9°120.0°
C24N23H17116.1°120.0°
C26C27C28122.1°119.9°
C26C27H21119.0°120.1°
N23C15C16117.3°120.0°
N23C15C14124.2°120.0°
C15N23H17116.1°120.0°
F32C29C28118.8°119.8°
C29C28C27119.0°120.1°
C29C28H20120.5°120.0°
C27C28H20120.5°119.9°
C28C27H21118.9°120.0°
C16C15C14118.5°119.9°
C15C16C17121.7°119.8°
C15C16H16119.2°120.1°
C15C14N11125.5°119.9°
C15C14C19119.4°120.1°
C16C17C20120.9°120.0°
C16C17C18119.6°120.0°
C17C16H16119.1°120.1°
O22C20C17120.1°120.0°
O22C20O21120.8°120.0°
C20C17C18119.5°120.0°
C17C20O21119.1°120.0°
C17C18C19119.1°120.0°
C17C18H14120.4°120.0°
C20O21H15109.5°117.0°
N11C14C19115.1°120.0°
C14N11C12119.3°111.0°
C14N11C10121.0°111.0°
C14C19C18121.7°120.1°
C14C19H13119.1°119.9°
N11C12C13104.8°109.4°
C12N11C10119.6°110.9°
N11C12H7110.6°109.5°
N11C12H8110.6°109.5°
C12C13N08104.8°109.3°
C12C13H5110.6°109.5°
C12C13H6110.6°109.5°
C13C12H7110.6°109.5°
C13C12H8110.6°109.5°
C10C09N08108.2°109.4°
C09C10N11106.9°109.3°
C09C10H9110.1°109.5°
C09C10H10110.1°109.5°
C10C09H11109.8°109.5°
C10C09H12109.8°109.4°
C09N08C01120.2°111.0°
C09N08C13119.4°110.9°
N08C09H11109.8°109.5°
N08C09H12109.8°109.5°
N11C10H9110.1°109.5°
N11C10H10110.1°109.5°
C01N08C13120.4°111.0°
N08C01C02118.7°120.0°
N08C01C06121.6°120.1°
N08C13H5110.6°109.5°
N08C13H6110.6°109.4°
C01C02C03120.7°119.9°
C02C01C06119.7°119.9°
C01C02H3119.6°120.1°
C02C03C04119.6°120.1°
C02C03H2120.2°119.9°
C03C02H3119.6°120.0°
C01C06C05119.4°119.9°
C01C06H4120.3°120.0°
C03C04C05119.8°120.1°
C03C04H1120.1°119.9°
C04C03H2120.2°120.0°
C18C19H13119.1°119.9°
C19C18H14120.4°120.0°
C06C05C04120.7°120.1°
C06C05C07121.5°120.0°
C05C06H4120.3°120.1°
C04C05C07117.8°119.9°
C05C04H1120.1°119.9°
F33C07C05109.5°109.5°
F33C07F35110.9°109.5°
F33C07F34103.9°109.4°
C05C07F35111.6°109.5°
C05C07F34112.4°109.5°
F35C07F34108.3°109.5°
H5C13H6109.5°109.5°
H7C12H8109.4°109.5°
H9C10H10109.5°109.5°
H11C09H12109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O25C24C26C311.5°179.7°
O25C24C26N23178.2°180.0°
O25C24C26C27177.5°0.0°
O25C24N23C15172.6°4.5°
O25C24N23H177.3°175.5°
C30C31C26H18180.0°179.9°
C31C30C29H19180.0°179.9°
C30C31C26C24179.1°180.0°
C30C31C26C270.1°0.3°
C31C30C29F32179.5°180.0°
C31C30C29C280.1°0.1°
C26C31C30C290.1°0.0°
C31C26C24C27179.0°179.7°
C31C26C24N23179.7°0.3°
C31C26C27C280.3°0.6°
C26C31C30H19179.9°180.0°
C31C26C27H21179.7°179.7°
C30C29F32C28179.6°180.0°
C30C29C28C270.1°0.3°
C29C30C31H18179.9°180.0°
C30C29C28H20179.9°180.0°
C26C24N23C159.2°175.5°
C24C26C27C28179.3°179.7°
C26C24N23H17170.8°4.5°
C24C26C31H180.9°0.0°
C24C26C27H210.7°0.0°
N23C24C26C270.7°180.0°
C24N23C15H17180.0°179.9°
C24N23C15C1697.3°34.6°
C24N23C15C1481.9°144.8°
C26C27C28C290.3°0.6°
C26C27C28H21180.0°179.7°
C27C26C31H18179.9°179.8°
C26C27C28H20179.7°179.7°
N23C15C16C14179.2°179.4°
N23C15C16C17179.5°180.0°
N23C15C14N111.5°0.3°
N23C15C14C19180.0°180.0°
N23C15C16H160.5°0.3°
F32C29C28C27179.7°179.7°
F32C29C30H190.5°0.0°
F32C29C28H200.3°0.0°
C29C28C27H20180.0°179.7°
C28C29C30H19179.9°180.0°
C29C28C27H21179.7°179.7°
C15C16C17H16180.0°179.7°
C15C16C17C20179.3°179.7°
C15C16C17C180.3°0.3°
C16C15C14N11179.4°179.7°
C16C15C14C190.9°0.6°
C16C15N23H1782.7°145.3°
C14C15C16C170.3°0.6°
C15C14N11C19178.6°179.7°
C15C14N11C1269.4°119.7°
C15C14N11C10114.0°116.5°
C15C14C19C180.9°0.3°
C15C14C19H13179.1°179.7°
C14C15C16H16179.7°179.7°
C14C15N23H1798.2°35.3°
C16C17C20O220.1°0.0°
C16C17C20C18179.0°180.0°
C16C17C20O21178.7°180.0°
C16C17C18C190.3°0.0°
C16C17C18H14179.7°180.0°
O22C20C17O21178.7°180.0°
O22C20C17C18179.0°180.0°
O22C20O21H150.0°0.0°
C20C17C18C19179.3°180.0°
C20C17C18H140.7°0.0°
C17C20O21H15178.7°180.0°
C20C17C16H160.7°0.0°
C18C17C20O210.3°0.0°
C17C18C19C140.3°0.1°
C17C18C19H14180.0°180.0°
C17C18C19H13179.7°180.0°
C18C17C16H16179.7°180.0°
C14N11C12C10176.6°123.8°
C14N11C12C13138.7°176.8°
C14N11C10C09158.8°176.9°
N11C14C19C18179.6°180.0°
C14N11C12H7102.1°63.2°
C14N11C12H819.4°56.8°
C14N11C10H939.2°63.2°
C14N11C10H1081.6°56.9°
N11C14C19H130.5°0.0°
C19C14N11C12109.2°60.0°
C19C14N11C1067.4°63.8°
C14C19C18H13180.0°179.9°
C14C19C18H14179.7°179.9°
N11C12C13H7119.3°120.0°
N11C12C13H8119.3°120.0°
C12N11C10C0924.7°59.3°
N11C12C13N0867.7°58.4°
N11C12C13H5173.1°178.4°
N11C12C13H651.6°61.5°
N11C12H7H8122.2°120.0°
C12N11C10H9144.3°60.6°
C12N11C10H1094.9°179.3°
C12C13N08C0935.3°59.3°
C13C12N11C1038.0°59.3°
C12C13N08C01144.0°176.8°
C12C13N08H5119.3°120.0°
C12C13N08H6119.2°120.0°
C12C13H5H6122.2°120.1°
C13C12H7H8122.1°120.1°
C10C09N08H11119.8°119.9°
C10C09N08H12119.8°119.9°
C09C10N11H9119.6°119.9°
C09C10N11H10119.6°120.0°
C10C09N08C01152.8°176.8°
C10C09N08C1327.8°59.3°
C09C10H9H10121.2°120.1°
C10C09H11H12120.6°120.0°
N08C09C10N1158.3°58.4°
C09N08C01C13179.3°123.8°
C09N08C01C0214.6°123.8°
C09N08C01C06164.9°55.9°
C09N08C13H5154.6°179.3°
C09N08C13H683.9°60.7°
N08C09C10H9177.8°61.6°
N08C09C10H1061.4°178.3°
N08C09H11H12120.6°120.1°
C10N11C12H781.3°60.7°
C10N11C12H8157.2°179.4°
N11C10H9H10121.2°120.1°
N11C10C09H11178.1°61.6°
N11C10C09H1261.5°178.4°
N08C01C02C06179.5°179.7°
N08C01C02C03179.6°180.0°
N08C01C06C05180.0°179.8°
N08C01C02H30.4°0.3°
N08C01C06H40.1°0.0°
C01N08C13H524.7°56.8°
C01N08C13H696.8°63.2°
C01N08C09H1133.0°63.3°
C01N08C09H1287.4°56.8°
C13N08C01C02166.1°0.0°
C13N08C01C0614.5°179.8°
N08C13H5H6122.1°120.0°
N08C13C12H751.6°61.6°
N08C13C12H8173.0°178.4°
C13N08C09H11147.7°60.6°
C13N08C09H1291.9°179.2°
C01C02C03H3180.0°179.8°
C01C02C03C040.2°0.0°
C02C01C06C050.5°0.5°
C01C02C03H2179.8°180.0°
C02C01C06H4179.5°179.8°
C03C02C01C060.1°0.2°
C02C03C04H2180.0°179.9°
C02C03C04C050.6°0.0°
C02C03C04H1179.4°179.9°
C01C06C05H4180.0°179.7°
C01C06C05C040.9°0.5°
C01C06C05C07179.2°179.7°
C06C01C02H3179.9°180.0°
C03C04C05C060.9°0.3°
C03C04C05H1180.0°179.9°
C03C04C05C07179.2°180.0°
C04C03C02H3179.8°179.7°
C06C05C04C07179.9°179.8°
C06C05C07F33146.4°59.7°
C06C05C07F3523.3°179.8°
C06C05C07F3498.7°60.2°
C06C05C04H1179.1°179.8°
C04C05C07F3333.5°120.0°
C04C05C07F35156.6°0.0°
C04C05C07F3481.4°120.0°
C05C04C03H2179.4°179.9°
C04C05C06H4179.1°179.7°
F33C07C05F35123.1°120.0°
F33C07C05F34114.9°119.9°
F33C07F35F34113.3°119.9°
C05C07F35F34124.3°120.0°
C07C05C04H10.8°0.0°
C07C05C06H40.7°0.0°
H1C04C03H20.6°0.0°
H2C03C02H30.2°0.2°
H5C13C12H767.7°58.4°
H5C13C12H853.8°61.6°
H6C13C12H7170.8°178.5°
H6C13C12H867.7°58.5°
H9C10C09H1162.3°178.5°
H9C10C09H1258.0°58.4°
H10C10C09H1158.5°58.4°
H10C10C09H12178.8°61.7°
H13C19C18H140.3°0.0°
H18C31C30H190.1°0.1°
H20C28C27H210.3°0.0°

227344

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