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RFF

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1N1doub1.30Å1.32ÅAromatic
C1C2sing1.46Å1.42ÅAromatic
N1Nsing1.40Å1.37ÅAromatic
C2C3doub1.40Å1.40ÅAromatic
C2C21sing1.41Å1.41ÅAromatic
C3N2sing1.32Å1.34ÅAromatic
NC21sing1.36Å1.37ÅAromatic
NCsing1.47Å1.46Å
C21C5doub1.40Å1.40ÅAromatic
N2C4doub1.32Å1.34ÅAromatic
C4C5sing1.38Å1.39ÅAromatic
C5N3sing1.40Å1.42Å
N3C6sing1.35Å1.36Å
C6C7sing1.51Å1.53Å
C6Odoub1.21Å1.23Å
C19C18sing1.53Å1.48Å
C19C17sing1.53Å1.51Å
C18C17sing1.53Å1.51Å
C7C8sing1.53Å1.53Å
C7C15sing1.51Å1.52Å
C8N4sing1.47Å1.48Å
O1Sdoub1.42Å1.43Å
C17C16sing1.53Å1.53Å
C17C20sing1.47Å1.47Å
C16Ssing1.81Å1.78Å
SN4sing1.66Å1.63Å
SO2doub1.42Å1.43Å
N4C9sing1.47Å1.47Å
C15C14doub1.39Å1.40ÅAromatic
C15C10sing1.38Å1.41ÅAromatic
C14C13sing1.38Å1.38ÅAromatic
C20N5trip1.14Å1.14Å
C10C9sing1.51Å1.51Å
C10C11doub1.39Å1.39ÅAromatic
C13CLsing1.74Å1.74Å
C13C12doub1.38Å1.37ÅAromatic
C11C12sing1.38Å1.38ÅAromatic
N3H1sing0.97Å1.00Å
C4H2sing1.08Å1.08Å
C7H3sing1.09Å1.10Å
C8H4sing1.09Å1.10Å
C8H5sing1.09Å1.10Å
C19H6sing1.09Å1.10Å
C19H7sing1.09Å1.10Å
C18H8sing1.09Å1.10Å
C18H9sing1.09Å1.10Å
C16H10sing1.09Å1.10Å
C16H11sing1.09Å1.10Å
C9H12sing1.09Å1.10Å
C9H13sing1.09Å1.10Å
C14H14sing1.08Å1.08Å
C12H15sing1.08Å1.08Å
C11H16sing1.08Å1.08Å
C3H17sing1.08Å1.08Å
CH18sing1.09Å1.10Å
CH19sing1.09Å1.10Å
CH20sing1.09Å1.10Å
C1H21sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N1C1C2111.7°107.7°
C1N1N106.5°110.1°
N1C1H21124.1°126.2°
C1C2C3139.6°134.8°
C1C2C21104.2°106.2°
C2C1H21124.2°126.1°
N1NC21111.3°109.1°
N1NC118.8°125.4°
C3C2C21116.2°119.0°
C2C3N2124.3°120.3°
C2C3H17117.8°119.9°
C2C21N106.3°106.9°
C2C21C5120.6°118.2°
C3N2C4118.0°122.4°
N2C3H17117.8°119.8°
C21NC129.9°125.5°
NC21C5133.1°134.9°
NCH18109.5°109.5°
NCH19109.4°109.5°
NCH20109.4°109.5°
C21C5C4117.0°118.7°
C21C5N3122.7°120.6°
N2C4C5123.9°121.3°
N2C4H2118.0°119.4°
C4C5N3120.1°120.6°
C5C4H2118.0°119.3°
C5N3C6124.9°120.0°
C5N3H1117.5°120.0°
N3C6C7114.9°120.0°
N3C6O123.3°120.0°
C6N3H1117.6°120.0°
C7C6O121.8°120.0°
C6C7C8109.0°109.2°
C6C7C15109.7°109.2°
C6C7H3109.0°109.2°
C18C19C1760.7°60.0°
C19C18C1760.7°60.0°
C18C19H6119.9°117.5°
C18C19H7119.9°117.5°
C19C18H8119.9°117.5°
C19C18H9119.9°117.5°
C19C17C1858.6°60.1°
C19C17C16121.9°117.5°
C19C17C20116.4°117.5°
C17C19H6119.9°117.5°
C17C19H7119.9°117.5°
C18C17C16122.7°117.5°
C18C17C20116.9°117.5°
C17C18H8119.9°117.6°
C17C18H9119.9°117.5°
C8C7C15111.0°110.8°
C7C8N4108.7°107.9°
C8C7H3109.0°109.2°
C7C8H4109.6°109.7°
C7C8H5109.7°109.7°
C7C15C14120.1°117.6°
C7C15C10120.5°122.9°
C15C7H3109.1°109.2°
C8N4S125.0°121.3°
C8N4C9114.9°117.3°
N4C8H4109.7°109.8°
N4C8H5109.7°109.8°
O1SC16108.7°110.5°
O1SN4107.1°104.3°
O1SO2119.1°121.0°
C16C17C20111.3°115.5°
C17C16S120.3°109.5°
C17C16H10106.7°109.4°
C17C16H11106.7°109.5°
C17C20N5177.6°180.0°
C16SN4105.9°104.4°
C16SO2108.1°110.6°
SC16H10106.7°109.5°
SC16H11106.7°109.5°
N4SO2107.2°104.3°
SN4C9119.1°121.4°
N4C9C10110.2°109.7°
N4C9H12109.3°109.5°
N4C9H13109.3°109.4°
C14C15C10119.2°119.5°
C15C14C13119.7°120.6°
C15C14H14120.1°119.7°
C15C10C9122.4°122.3°
C15C10C11119.2°119.9°
C14C13CL119.3°120.1°
C14C13C12121.6°119.8°
C13C14H14120.2°119.7°
C9C10C11118.4°117.8°
C10C9H12109.3°109.4°
C10C9H13109.3°109.4°
C10C11C12121.2°120.5°
C10C11H16119.4°119.8°
CLC13C12119.1°120.1°
C13C12C11119.0°119.7°
C13C12H15120.5°120.1°
C11C12H15120.5°120.2°
C12C11H16119.4°119.7°
H4C8H5109.5°109.8°
H6C19H7109.5°115.6°
H8C18H9109.4°115.5°
H10C16H11109.5°109.5°
H12C9H13109.4°109.4°
H18CH19109.4°109.4°
H18CH20109.5°109.5°
H19CH20109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C1C2H21180.0°179.9°
N1C1C2C3177.9°180.0°
N1C1C2C210.8°0.0°
C1N1NC210.1°0.0°
C1N1NC179.9°180.0°
C2C1N1N0.6°0.0°
C1C2C3C21178.6°179.9°
C1C2C3N2178.2°180.0°
C1C2C21N0.7°0.0°
C1C2C21C5179.8°180.0°
C1C2C3H171.8°0.0°
N1NC21C20.4°0.0°
N1NC21C179.7°180.0°
N1NC21C5179.8°180.0°
N1NCH180.0°95.2°
N1NCH19120.0°144.9°
N1NCH20120.0°24.9°
NN1C1H21179.4°179.9°
C2C3N2H17180.0°180.0°
C3C2C21N178.4°180.0°
C3C2C21C51.1°0.1°
C2C3N2C40.9°0.0°
C3C2C1H212.1°0.0°
C21C2C3N20.4°0.1°
C2C21NC5179.4°179.9°
C2C21NC179.3°179.9°
C2C21C5C42.0°0.1°
C2C21C5N3172.4°180.0°
C21C2C3H17179.6°180.0°
C21C2C1H21179.2°179.9°
C3N2C4C50.2°0.0°
C3N2C4H2179.8°180.0°
NC21C5C4177.3°180.0°
NC21C5N38.2°0.1°
C21NCH18179.7°84.8°
C21NCH1959.7°35.1°
C21NCH2060.3°155.1°
CNC21C50.1°0.0°
NCH18H19120.0°119.9°
NCH18H20120.0°120.1°
NCH19H20120.0°120.0°
C21C5C4N21.6°0.1°
C21C5C4N3174.6°179.9°
C21C5N3C6103.8°145.4°
C21C5N3H176.2°34.6°
C21C5C4H2178.4°180.0°
N2C4C5H2180.0°180.0°
N2C4C5N3173.0°180.0°
C4N2C3H17179.1°180.0°
C4C5N3C670.5°34.7°
C4C5N3H1109.5°145.3°
C5N3C6H1180.0°180.0°
C5N3C6C7178.9°175.5°
C5N3C6O2.5°4.4°
N3C5C4H26.9°0.0°
N3C6C7O178.7°180.0°
N3C6C7C885.2°180.0°
N3C6C7C15153.1°58.6°
N3C6C7H333.6°60.7°
C6C7C8C15121.0°120.3°
C6C7C8H3118.8°119.4°
C6C7C15H3119.4°119.3°
C6C7C8N471.0°73.0°
C6C7C15C1479.2°79.2°
C6C7C15C1095.7°100.7°
C7C6N3H11.1°4.5°
C6C7C8H448.8°46.7°
C6C7C8H5169.1°167.4°
OC6C7C893.4°0.0°
OC6C7C1528.3°121.4°
OC6N3H1177.5°175.5°
OC6C7H3147.7°119.3°
C18C19C17H6109.6°107.4°
C18C19C17H7109.7°107.5°
C19C18C17H8109.7°107.4°
C19C18C17H9109.7°107.5°
C18C19C17C16111.4°107.5°
C18C19C17C20106.7°107.5°
C18C19H6H7144.4°145.6°
C19C18H8H9144.4°145.6°
C19C17C16C20143.6°145.7°
C19C17C16S121.1°179.9°
C19C17C20N5124.8°1.9°
C17C19H6H7144.4°145.8°
C19C17C16H100.4°59.9°
C19C17C16H11117.4°60.1°
C18C17C16C20145.7°145.6°
C18C17C16S50.3°111.2°
C18C17C20N5168.7°66.8°
C17C18H8H9144.3°145.8°
C18C17C16H1071.2°8.8°
C18C17C16H11171.9°128.8°
C8C7C15H3120.1°120.3°
C7C8N4H4119.9°119.6°
C7C8N4H5119.9°119.6°
C7C8N4S126.0°115.7°
C7C8N4C965.9°64.3°
C8C7C15C14160.3°160.5°
C8C7C15C1024.8°19.6°
C7C8H4H5120.3°120.7°
C15C7C8N449.9°47.4°
C7C15C14C10174.9°179.9°
C7C15C14C13172.5°179.5°
C7C15C10C910.0°0.7°
C7C15C10C11172.0°179.3°
C15C7C8H4169.8°167.1°
C15C7C8H570.0°72.2°
C7C15C14H147.5°0.5°
C8N4SO125.3°26.0°
C8N4SC1690.7°90.0°
C8N4SC9167.7°180.0°
C8N4SO2154.1°153.9°
C8N4C9C1048.7°44.3°
N4C8C7H3170.1°167.7°
N4C8H4H5120.4°120.8°
C8N4C9H12168.8°75.7°
C8N4C9H1371.4°164.4°
O1SC16C1761.5°68.4°
O1SC16N4114.8°111.6°
O1SC16O2130.6°136.8°
O1SN4O2128.9°127.9°
O1SN4C9142.4°153.9°
O1SC16H1060.0°171.6°
O1SC16H11176.9°51.6°
C17C16SH10121.5°120.0°
C17C16SH11121.5°120.0°
C17C16SN4176.4°180.0°
C17C16SO269.1°68.4°
C16C17C20N520.9°147.5°
C16C17C19H61.8°145.1°
C16C17C19H7138.9°0.0°
C16C17C18H8140.2°0.1°
C16C17C18H90.4°145.0°
C17C16H10H11115.1°120.0°
C20C17C16S95.3°34.4°
C20C17C19H6143.6°0.1°
C20C17C19H72.9°145.0°
C20C17C18H83.7°145.0°
C20C17C18H9144.3°0.1°
C20C17C16H10143.2°154.4°
C20C17C16H1126.2°85.6°
C16SN4O2115.2°116.1°
C16SN4C9101.6°90.0°
SC16H10H11115.1°120.0°
SN4C9C10142.4°135.7°
SN4C8H46.1°4.0°
SN4C8H5114.1°124.8°
N4SC16H1054.9°60.0°
N4SC16H1162.1°60.0°
SN4C9H1222.3°104.3°
SN4C9H1397.5°15.6°
O2SN4C913.6°26.1°
O2SC16H10169.4°51.6°
O2SC16H1152.5°171.6°
N4C9C10C1520.1°11.1°
N4C9C10H12120.1°120.1°
N4C9C10H13120.1°120.1°
N4C9C10C11161.9°169.0°
C9N4C8H4174.2°176.0°
C9N4C8H554.0°55.2°
N4C9H12H13119.7°119.9°
C15C14C13H14180.0°180.0°
C14C15C10C9175.1°179.4°
C14C15C10C113.0°0.6°
C15C14C13CL178.7°180.0°
C15C14C13C120.1°0.0°
C14C15C7H340.2°40.2°
C10C15C14C132.5°0.4°
C15C10C9C11178.1°180.0°
C15C10C11C121.2°0.4°
C10C15C7H3145.0°140.0°
C15C10C9H12140.2°109.0°
C15C10C9H13100.0°131.1°
C10C15C14H14177.5°179.7°
C15C10C11H16178.8°179.7°
C14C13CLC12178.9°180.0°
C14C13C12C111.6°0.2°
C14C13C12H15178.4°179.8°
C9C10C11C12176.9°179.6°
C10C9H12H13119.6°119.8°
C9C10C11H163.1°0.3°
C10C11C12C131.1°0.0°
C10C11C12H16180.0°179.9°
C11C10C9H1241.7°70.9°
C11C10C9H1378.0°48.9°
C10C11C12H15178.9°180.0°
CLC13C12C11179.5°179.8°
CLC13C14H141.3°0.0°
CLC13C12H150.5°0.2°
C13C12C11H15180.0°180.0°
C12C13C14H14179.8°180.0°
C13C12C11H16178.9°179.9°
H3C7C8H470.0°72.6°
H3C7C8H550.2°48.1°
H6C19C18H8140.7°144.9°
H6C19C18H90.0°0.0°
H7C19C18H80.0°0.0°
H7C19C18H9140.7°145.0°
H15C12C11H161.1°0.1°
H18CH19H20120.0°120.0°

226707

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