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1C1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N28C02doub1.33Å1.28Å
C02N03sing1.37Å1.46Å
C02N01sing1.33Å1.32Å
N03C04sing1.47Å1.46Å
C04C05sing1.53Å1.52Å
C27C26doub1.38Å1.36ÅAromatic
C27C20sing1.39Å1.32ÅAromatic
C26C24sing1.38Å1.41ÅAromatic
C05C06sing1.54Å1.50Å
C05C13sing1.54Å1.45Å
O16C15doub1.21Å1.19Å
C20N19sing1.40Å1.43Å
C20C21doub1.39Å1.29ÅAromatic
N19C17sing1.35Å1.43Å
C24CL1sing1.74Å1.70Å
C24C22doub1.39Å1.43ÅAromatic
C15C17sing1.49Å1.47Å
C15N14sing1.35Å1.44Å
C06C07sing1.51Å1.51Å
C13N14sing1.47Å1.44Å
C13C12sing1.51Å1.50Å
C17O18doub1.21Å1.21Å
C21C22sing1.38Å1.37ÅAromatic
C22F23sing1.35Å1.30Å
C07C12doub1.38Å1.34ÅAromatic
C07C08sing1.38Å1.48ÅAromatic
C12C11sing1.38Å1.49ÅAromatic
C08C09doub1.38Å1.40ÅAromatic
C11C10doub1.38Å1.41ÅAromatic
C09C10sing1.38Å1.39ÅAromatic
N01H1sing0.97Å1.00Å
N01H2sing0.97Å1.00Å
N03H3sing0.97Å1.00Å
C04H4sing1.09Å1.10Å
C04H5sing1.09Å1.10Å
C05H6sing1.09Å1.10Å
C06H7sing1.09Å1.10Å
C06H8sing1.09Å1.10Å
C08H9sing1.08Å1.08Å
C09H10sing1.08Å1.08Å
C10H11sing1.08Å1.08Å
C11H12sing1.08Å1.08Å
C13H13sing1.09Å1.10Å
N14H14sing0.97Å1.00Å
N19H15sing0.97Å1.00Å
C21H16sing1.08Å1.08Å
C26H17sing1.08Å1.08Å
C27H18sing1.08Å1.08Å
N28H19sing0.97Å1.00Å
N28H20sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N28C02N03118.2°120.0°
N28C02N01116.4°120.0°
C02N28H19120.0°120.0°
C02N28H20120.0°120.0°
N03C02N01125.3°120.0°
C02N03C04126.4°120.0°
C02N03H3116.8°120.0°
C02N01H1120.0°120.0°
C02N01H2120.0°120.0°
N03C04C05111.7°109.4°
C04N03H3116.8°120.0°
N03C04H4108.9°109.4°
N03C04H5108.9°109.5°
C04C05C06110.9°110.8°
C04C05C13110.6°110.8°
C05C04H4108.9°109.5°
C05C04H5108.9°109.4°
C04C05H6109.2°110.7°
C26C27C20120.5°120.0°
C27C26C24118.4°120.1°
C27C26H17120.8°119.9°
C26C27H18119.7°120.0°
C27C20N19116.4°120.1°
C27C20C21121.9°119.9°
C20C27H18119.7°120.0°
C26C24CL1123.5°120.0°
C26C24C22120.5°120.1°
C24C26H17120.8°119.9°
C06C05C13106.6°102.4°
C05C06C07104.1°105.2°
C06C05H6109.4°110.9°
C05C06H7110.8°110.3°
C05C06H8110.8°110.3°
C05C13N14110.2°110.3°
C05C13C12107.7°105.2°
C13C05H6110.2°111.0°
C05C13H13110.9°110.3°
O16C15C17119.7°120.0°
O16C15N14123.8°120.0°
N19C20C21121.0°120.0°
C20N19C17126.5°120.0°
C20N19H15116.8°120.0°
C20C21C22125.2°120.0°
C20C21H16117.4°120.0°
N19C17C15115.2°120.0°
N19C17O18125.5°120.0°
C17N19H15116.8°120.0°
CL1C24C22116.0°119.9°
C24C22C21113.5°119.9°
C24C22F23123.1°120.0°
C17C15N14114.2°120.0°
C15C17O18117.8°120.0°
C15N14C13125.8°120.0°
C15N14H14117.1°120.0°
C06C07C12111.4°109.8°
C06C07C08128.7°130.4°
C07C06H7110.8°110.3°
C07C06H8110.8°110.3°
N14C13C12106.8°110.3°
N14C13H13111.0°110.2°
C13N14H14117.1°119.9°
C13C12C07108.3°109.7°
C13C12C11130.5°130.4°
C12C13H13110.1°110.4°
C21C22F23123.4°120.0°
C22C21H16117.4°120.0°
C12C07C08119.9°119.8°
C07C12C11121.2°119.8°
C07C08C09118.1°120.3°
C07C08H9120.9°119.9°
C12C11C10118.1°120.3°
C12C11H12120.9°119.8°
C08C09C10122.3°119.9°
C09C08H9121.0°119.9°
C08C09H10118.8°120.1°
C11C10C09120.3°119.9°
C11C10H11119.9°120.1°
C10C11H12121.0°119.9°
C10C09H10118.8°120.0°
C09C10H11119.8°120.0°
H1N01H2120.0°120.0°
H4C04H5109.5°109.5°
H7C06H8109.5°110.4°
H19N28H20120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N28C02N03N01179.9°179.9°
N28C02N03C04173.6°180.0°
N28C02N01H1179.9°180.0°
N28C02N01H20.1°0.2°
N28C02N03H36.4°0.0°
C02N28H19H20179.9°179.9°
C02N03C04H3180.0°180.0°
C02N03C04C05116.3°180.0°
N03C02N01H10.0°0.0°
N03C02N01H2180.0°179.7°
C02N03C04H4123.4°60.1°
C02N03C04H54.1°60.0°
N03C02N28H19179.9°180.0°
N03C02N28H200.1°0.1°
N01C02N03C046.2°0.1°
C02N01H1H2180.0°179.7°
N01C02N03H3173.8°180.0°
N01C02N28H190.0°0.0°
N01C02N28H20180.0°180.0°
N03C04C05H4120.3°119.9°
N03C04C05H5120.3°120.0°
N03C04C05C06148.1°66.5°
N03C04C05C1394.0°179.4°
N03C04H4H5118.9°120.0°
N03C04C05H627.4°57.0°
C04C05C06C13120.4°118.2°
C04C05C06H6120.5°123.3°
C04C05C13H6120.8°123.4°
C04C05C06C07107.0°144.6°
C04C05C13N14137.3°96.5°
C04C05C13C12106.6°144.6°
C05C04N03H363.7°0.0°
C05C04H4H5119.0°120.0°
C04C05C06H7133.9°96.5°
C04C05C06H812.2°25.6°
C04C05C13H1314.0°25.5°
C26C27C20H18180.0°179.4°
C27C26C24H17180.0°179.6°
C26C27C20N19169.8°179.7°
C26C27C20C210.4°0.6°
C27C26C24CL1179.4°179.6°
C27C26C24C220.6°0.3°
C20C27C26C240.4°0.7°
C27C20N19C21170.3°179.7°
C27C20N19C17162.1°145.2°
C27C20C21C220.7°0.3°
C27C20N19H1517.9°34.8°
C27C20C21H16179.3°179.7°
C20C27C26H17179.7°179.7°
C26C24CL1C22180.0°180.0°
C26C24C22C210.9°0.0°
C26C24C22F23178.7°180.0°
C24C26C27H18179.6°180.0°
C06C05C13H6118.6°118.3°
C05C06C07H7119.1°118.9°
C05C06C07H8119.1°118.9°
C06C05C13N14102.1°145.3°
C06C05C13C1214.0°26.4°
C05C06C07C128.2°17.2°
C05C06C07C08171.6°162.8°
C06C05C04H427.7°53.5°
C06C05C04H591.6°173.6°
C05C06H7H8122.5°122.1°
C06C05C13H13134.6°92.7°
C05C13N14C15101.2°155.0°
C13C05C06C0713.4°26.4°
C05C13N14C12116.7°115.8°
C05C13N14H13123.3°122.1°
C05C13C12H13121.0°119.0°
C05C13C12C079.1°17.2°
C05C13C12C11172.3°162.8°
C13C05C04H4145.7°59.5°
C13C05C04H526.4°60.6°
C13C05C06H7105.7°145.3°
C13C05C06H8132.6°92.6°
C05C13N14H1478.8°25.0°
O16C15C17N1932.8°0.1°
O16C15C17N14163.5°179.9°
O16C15N14C1310.3°0.1°
O16C15C17O18160.2°180.0°
O16C15N14H14169.7°180.0°
C20N19C17H15180.0°179.9°
C20N19C17C15165.7°175.4°
C20N19C17O180.2°4.7°
N19C20C21C22169.0°180.0°
N19C20C21H1611.0°0.0°
N19C20C27H1810.2°0.3°
C21C20N19C1727.6°35.1°
C20C21C22C240.9°0.0°
C20C21C22H16180.0°180.0°
C20C21C22F23178.8°180.0°
C21C20N19H15152.4°144.9°
C21C20C27H18179.6°180.0°
N19C17C15O18167.1°179.9°
N19C17C15N14163.8°NaN°
CL1C24C22C21179.1°180.0°
CL1C24C22F231.2°0.1°
CL1C24C26H170.6°0.0°
C24C22C21F23177.9°180.0°
C24C22C21H16179.1°180.0°
C22C24C26H17179.4°179.9°
C17C15N14C13173.0°180.0°
C17C15N14H147.0°0.1°
C15C17N19H1514.3°4.5°
C15N14C13H14180.0°179.9°
C15N14C13C12142.1°89.2°
N14C15C17O183.3°0.1°
C15N14C13H1322.1°33.0°
C06C07C12C130.2°0.0°
C06C07C12C08179.9°180.0°
C06C07C12C11179.0°180.0°
C06C07C08C09178.0°180.0°
C07C06C05H6132.6°92.1°
C07C06H7H8122.5°122.2°
C06C07C08H92.0°0.1°
N14C13C12H13120.6°122.1°
N14C13C12C07109.2°136.2°
N14C13C12C1169.3°43.9°
N14C13C05H616.6°27.0°
C13C12C07C11178.7°180.0°
C13C12C07C08179.9°180.0°
C13C12C11C10178.7°180.0°
C12C13C05H6132.6°92.0°
C13C12C11H121.3°0.0°
C12C13N14H1437.9°90.7°
O18C17N19H15179.8°175.4°
F23C22C21H161.2°0.0°
C12C07C08C092.2°0.1°
C07C12C11C100.3°0.0°
C12C07C06H7110.9°136.1°
C12C07C06H8127.4°101.7°
C12C07C08H9177.8°179.9°
C07C12C11H12179.7°180.0°
C07C12C13H13130.1°101.8°
C08C07C12C111.2°0.0°
C07C08C09H9180.0°179.9°
C07C08C09C102.4°0.1°
C08C07C06H769.2°43.9°
C08C07C06H852.5°78.3°
C07C08C09H10177.6°180.0°
C12C11C10H12180.0°180.0°
C12C11C10C090.4°0.0°
C12C11C10H11179.6°180.0°
C11C12C13H1351.3°78.2°
C08C09C10C111.5°0.1°
C08C09C10H10180.0°179.9°
C08C09C10H11178.5°180.0°
C11C10C09H11180.0°179.9°
C11C10C09H10178.5°180.0°
C10C09C08H9177.6°180.0°
C09C10C11H12179.6°179.9°
H3N03C04H456.6°119.9°
H3N03C04H5175.9°120.0°
H4C04C05H692.9°176.9°
H5C04C05H6147.8°63.0°
H6C05C06H713.5°26.8°
H6C05C06H8108.3°149.0°
H6C05C13H13106.8°149.0°
H9C08C09H102.4°0.1°
H10C09C10H111.5°0.1°
H11C10C11H120.4°0.0°
H13C13N14H14157.9°147.1°
H17C26C27H180.3°0.4°

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