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RHO

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1doub1.46Å1.42ÅAromatic
CC5sing1.34Å1.43ÅAromatic
CNsing1.40Å1.52Å
C1C2sing1.36Å1.41ÅAromatic
C1HC1sing1.08Å1.08Å
C2C3doub1.41Å1.44ÅAromatic
C2OH1sing1.36Å1.40Å
C3C4sing1.51Å1.44ÅAromatic
C3C8sing1.37Å1.45Å
C4C5doub1.51Å1.42ÅAromatic
C4HC4sing1.09Å1.08Å
C5HC5sing1.08Å1.08Å
NC6sing1.46Å1.39Å
NC7sing1.47Å1.39Å
C6HC61sing1.09Å1.10Å
C6HC62sing1.09Å1.10Å
C6HC63sing1.09Å1.10Å
C7HC71sing1.09Å1.10Å
C7HC72sing1.09Å1.10Å
C7HC73sing1.09Å1.10Å
OH1C9sing1.35Å1.39Å
C8C14doub1.48Å1.45Å
C8C17sing1.48Å1.55Å
C9C10doub1.38Å1.42Å
C9C14sing1.40Å1.43Å
C10C11sing1.39Å1.43Å
C10H10Csing1.08Å1.08Å
C11C12doub1.39Å1.44Å
C11N1sing1.39Å1.41Å
C12C13sing1.38Å1.42Å
C12H12Csing1.08Å1.08Å
C13C14sing1.39Å1.43Å
C13H131sing2.58Å1.10Å
C13H132sing1.08Å1.10Å
N1C15sing1.46Å1.39Å
N1C16sing1.47Å1.39Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C15H153sing1.09Å1.10Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C16H163sing1.09Å1.10Å
C17C18doub1.41Å1.45ÅAromatic
C17C22sing1.40Å1.43ÅAromatic
C18C19sing1.39Å1.43ÅAromatic
C18C23sing1.47Å1.53Å
C19C20doub1.39Å1.44ÅAromatic
C19H19Csing1.08Å1.08Å
C20C21sing1.39Å1.44ÅAromatic
C20N2sing1.40Å1.46Å
C21C22doub1.38Å1.42ÅAromatic
C21H21Csing1.08Å1.08Å
C22H22Csing1.08Å1.08Å
C23OH2doub1.35Å1.25Å
C23OH3sing1.22Å1.25Å
OH3HO3sing2.30Å0.95Å
N2C24sing1.35Å1.34Å
N2C27sing1.35Å1.34Å
C24OH4doub1.21Å1.22Å
C24C25sing1.48Å1.41Å
C25C26doub1.34Å1.38Å
C25H25Csing1.08Å1.08Å
C26C27sing1.48Å1.41Å
C26H26Csing1.08Å1.08Å
C27OH5doub1.21Å1.22Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1CC5116.9°121.7°
C1CN120.3°119.2°
CC1C2121.4°122.8°
CC1HC1119.3°118.5°
C5CN122.8°119.2°
CC5C4121.5°118.6°
CC5HC5119.2°120.7°
CNC6123.3°120.0°
CNC7123.6°120.0°
C2C1HC1119.3°118.6°
C1C2C3122.9°120.2°
C1C2OH1114.8°119.2°
C3C2OH1122.2°120.7°
C2C3C4115.0°119.2°
C2C3C8116.6°120.5°
C2OH1C9120.7°122.0°
C4C3C8128.4°120.3°
C3C4C5122.2°117.6°
C3C4HC4118.9°107.8°
C3C8C14121.1°117.9°
C3C8C17115.5°121.0°
C5C4HC4118.9°107.8°
C4C5HC5119.3°120.7°
C6NC7113.0°120.0°
NC6HC61109.4°109.4°
NC6HC62109.5°109.5°
NC6HC63109.5°109.5°
NC7HC71109.4°109.4°
NC7HC72109.4°109.4°
NC7HC73109.5°109.5°
HC61C6HC62109.5°109.5°
HC61C6HC63109.5°109.4°
HC62C6HC63109.4°109.5°
HC71C7HC72109.5°109.5°
HC71C7HC73109.5°109.5°
HC72C7HC73109.5°109.5°
OH1C9C10116.1°120.4°
OH1C9C14121.0°120.1°
C14C8C17121.5°121.0°
C8C14C9118.3°118.8°
C8C14C13126.5°120.9°
C8C17C18114.7°120.2°
C8C17C22126.7°120.2°
C10C9C14122.9°119.5°
C9C10C11121.4°119.9°
C9C10H10C119.3°120.1°
C9C14C13115.2°120.3°
C11C10H10C119.3°120.0°
C10C11C12116.4°120.4°
C10C11N1121.7°119.8°
C12C11N1121.9°119.8°
C11C12C13121.4°120.2°
C11C12H12C119.3°119.9°
C11N1C15124.4°120.0°
C11N1C16122.6°120.0°
C13C12H12C119.3°119.9°
C12C13C14122.7°119.7°
C12C13H131102.2°165.9°
C12C13H132105.3°120.1°
C14C13H131102.1°47.6°
C14C13H132105.2°120.2°
H131C13H132120.6°72.9°
C15N1C16112.7°120.0°
N1C15H151109.4°109.5°
N1C15H152109.5°109.5°
N1C15H153109.5°109.4°
N1C16H161109.5°109.5°
N1C16H162109.5°109.4°
N1C16H163109.5°109.5°
H151C15H152109.5°109.5°
H151C15H153109.4°109.5°
H152C15H153109.5°109.5°
H161C16H162109.5°109.5°
H161C16H163109.4°109.5°
H162C16H163109.5°109.5°
C18C17C22118.5°119.7°
C17C18C19118.0°119.6°
C17C18C23128.6°120.2°
C17C22C21121.6°120.1°
C17C22H22C119.2°120.0°
C19C18C23113.5°120.2°
C18C19C20124.7°120.0°
C18C19H19C117.6°120.0°
C18C23OH2123.5°120.0°
C18C23OH3117.7°120.0°
C20C19H19C117.7°120.1°
C19C20C21115.5°120.3°
C19C20N2124.1°119.9°
C21C20N2120.4°119.8°
C20C21C22121.7°120.4°
C20C21H21C119.2°119.8°
C20N2C24121.9°125.2°
C20N2C27123.7°125.2°
C22C21H21C119.1°119.8°
C21C22H22C119.2°120.0°
OH2C23OH3118.7°120.0°
C23OH3HO3109.5°77.0°
C24N2C27114.3°109.6°
N2C24OH4130.3°125.8°
N2C24C25104.7°108.4°
N2C27C26104.7°108.4°
N2C27OH5130.0°125.8°
OH4C24C25125.0°125.8°
C24C25C26108.4°106.8°
C24C25H25C125.8°126.6°
C26C25H25C125.8°126.6°
C25C26C27107.9°106.8°
C25C26H26C126.1°126.6°
C27C26H26C126.1°126.6°
C26C27OH5125.3°125.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1CC5N179.6°179.7°
CC1C2HC1180.0°179.6°
CC1C2C30.3°0.6°
CC1C2OH1178.7°179.7°
C1CC5C40.1°0.3°
C1CC5HC5179.9°179.8°
C1CNC60.5°179.7°
C1CNC7179.1°0.2°
C5CC1C20.4°0.6°
C5CC1HC1179.5°179.8°
CC5C4C30.4°0.0°
CC5C4HC5180.0°179.9°
CC5C4HC4179.6°122.0°
C5CNC6180.0°0.0°
C5CNC70.5°180.0°
NCC1C2179.1°179.7°
NCC1HC10.9°0.0°
NCC5C4179.5°180.0°
NCC5HC50.5°0.1°
CNC6C7179.6°179.9°
CNC6HC61175.0°180.0°
CNC6HC6264.9°60.0°
CNC6HC6355.0°60.1°
CNC7HC7122.7°180.0°
CNC7HC72142.7°60.0°
CNC7HC7397.3°60.0°
C1C2C3OH1179.0°179.7°
C1C2C3C40.2°0.3°
C1C2C3C8179.3°179.7°
C1C2OH1C9179.5°179.6°
HC1C1C2C3179.7°179.7°
HC1C1C2OH11.3°0.0°
C2C3C4C8179.5°179.9°
C2C3C4C50.5°0.1°
C2C3C4HC4179.5°122.1°
C3C2OH1C90.5°0.1°
C2C3C8C140.8°0.0°
C2C3C8C17163.3°180.0°
OH1C2C3C4179.2°179.9°
OH1C2C3C80.4°0.0°
C2OH1C9C10178.8°180.0°
C2OH1C9C140.7°0.1°
C3C4C5HC4180.0°122.0°
C3C4C5HC5179.6°180.0°
C4C3C8C14179.7°180.0°
C4C3C8C1716.2°0.0°
C8C3C4C5179.0°180.0°
C8C3C4HC41.1°58.0°
C3C8C14C17163.2°180.0°
C3C8C14C91.9°0.0°
C3C8C14C13179.2°180.0°
C3C8C17C18114.8°105.3°
C3C8C17C2268.1°75.0°
HC4C4C5HC50.4°58.0°
NC6HC61HC62120.0°120.0°
NC6HC61HC63120.0°120.0°
NC6HC62HC63120.0°120.1°
C6NC7HC71157.8°0.1°
C6NC7HC7237.8°120.0°
C6NC7HC7382.2°120.0°
C7NC6HC614.5°0.1°
C7NC6HC62115.5°119.9°
C7NC6HC63124.5°120.0°
NC7HC71HC72120.0°119.9°
NC7HC71HC73120.0°120.1°
NC7HC72HC73120.0°120.0°
HC61C6HC62HC63120.0°120.0°
HC71C7HC72HC73120.0°120.1°
OH1C9C14C81.8°0.1°
OH1C9C10C14179.4°179.9°
OH1C9C10C11179.7°180.0°
OH1C9C10H10C0.3°0.0°
OH1C9C14C13179.2°180.0°
C8C14C9C10177.6°180.0°
C8C14C9C13179.0°180.0°
C8C14C13C12177.9°180.0°
C8C14C13H13164.7°7.8°
C8C14C13H13262.0°0.0°
C14C8C17C1881.1°74.7°
C14C8C17C2296.0°105.0°
C17C8C14C9161.2°180.0°
C17C8C14C1317.6°0.1°
C8C17C18C22177.4°179.7°
C8C17C18C19176.1°179.8°
C8C17C18C232.2°0.2°
C8C17C22C21175.9°180.0°
C8C17C22H22C4.1°0.1°
C9C10C11H10C180.0°180.0°
C9C10C11C121.3°0.0°
C9C10C11N1178.0°180.0°
C10C9C14C131.4°0.1°
C14C9C10C110.3°0.1°
C14C9C10H10C179.7°179.9°
C9C14C13C121.0°0.0°
C9C14C13H131114.2°172.3°
C9C14C13H132119.1°180.0°
C10C11C12N1179.3°180.0°
C10C11C12C131.7°0.1°
C10C11C12H12C178.3°180.0°
C10C11N1C157.6°174.2°
C10C11N1C16179.1°5.8°
H10CC10C11C12178.7°180.0°
H10CC10C11N12.0°0.0°
C11C12C13H12C180.0°179.9°
C11C12C13C140.6°0.1°
C11C12C13H131112.6°23.9°
C11C12C13H132120.6°180.0°
C12C11N1C15171.7°5.8°
C12C11N1C161.7°174.2°
N1C11C12C13177.6°179.9°
N1C11C12H12C2.4°0.0°
C11N1C15C16173.9°180.0°
C11N1C15H1511.4°90.0°
C11N1C15H152118.6°150.0°
C11N1C15H153121.4°30.0°
C11N1C16H16140.5°5.1°
C11N1C16H162160.5°125.1°
C11N1C16H16379.5°115.0°
C12C13C14H131113.2°172.3°
C12C13C14H132120.0°180.0°
C12C13H131H132116.2°158.4°
H12CC12C13C14179.4°180.0°
H12CC12C13H13167.4°156.0°
H12CC12C13H13259.4°0.0°
C14C13H131H132116.1°173.0°
N1C15H151H152120.0°120.0°
N1C15H151H153120.0°120.0°
N1C15H152H153120.0°119.9°
C15N1C16H161133.5°175.0°
C15N1C16H16213.5°55.0°
C15N1C16H163106.5°65.0°
C16N1C15H151172.5°90.0°
C16N1C15H15267.5°30.1°
C16N1C15H15352.5°150.0°
N1C16H161H162120.0°120.0°
N1C16H161H163120.0°120.0°
N1C16H162H163120.0°120.0°
H151C15H152H153120.0°120.0°
H161C16H162H163120.0°120.0°
C17C18C19C23178.5°179.5°
C17C18C19C200.5°0.5°
C17C18C19H19C179.5°179.7°
C18C17C22C211.1°0.3°
C18C17C22H22C178.9°179.8°
C17C18C23OH2119.5°179.5°
C17C18C23OH357.8°0.5°
C22C17C18C191.3°0.6°
C22C17C18C23179.5°179.9°
C17C22C21C200.0°0.1°
C17C22C21H22C180.0°179.9°
C17C22C21H21C180.0°180.0°
C18C19C20H19C180.0°179.8°
C18C19C20C210.5°0.3°
C18C19C20N2179.1°179.8°
C19C18C23OH258.8°0.0°
C19C18C23OH3123.9°180.0°
C23C18C19C20179.0°180.0°
C23C18C19H19C1.0°0.2°
C18C23OH2OH3177.3°179.9°
C18C23OH3HO3177.4°0.3°
C19C20C21N2179.6°179.9°
C19C20C21C220.8°0.1°
C19C20C21H21C179.2°180.0°
C19C20N2C2429.1°140.0°
C19C20N2C27150.5°39.6°
H19CC19C20C21179.5°179.9°
H19CC19C20N20.9°0.0°
C20C21C22H21C180.0°179.9°
C20C21C22H22C180.0°180.0°
C21C20N2C24151.3°40.0°
C21C20N2C2729.1°140.3°
N2C20C21C22178.9°180.0°
N2C20C21H21C1.1°0.1°
C20N2C24C27179.6°179.7°
C20N2C24OH40.2°0.0°
C20N2C24C25179.7°179.9°
C20N2C27C26179.7°179.9°
C20N2C27OH50.3°0.4°
H21CC21C22H22C0.0°0.1°
OH2C23OH3HO30.0°179.7°
N2C24OH4C25179.9°179.9°
N2C24C25C260.1°0.0°
N2C24C25H25C179.9°180.0°
C24N2C27C260.2°0.4°
C24N2C27OH5179.9°180.0°
C27N2C24OH4179.7°179.7°
C27N2C24C250.2°0.3°
N2C27C26C250.1°0.4°
N2C27C26OH5179.9°179.5°
N2C27C26H26C179.9°179.8°
OH4C24C25C26179.8°180.0°
OH4C24C25H25C0.2°0.0°
C24C25C26H25C180.0°180.0°
C24C25C26C270.0°0.3°
C24C25C26H26C180.0°180.0°
C25C26C27H26C180.0°179.7°
C25C26C27OH5179.9°180.0°
H25CC25C26C27180.0°179.7°
H25CC25C26H26C0.0°0.0°
H26CC26C27OH50.1°0.3°

224931

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