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BPO

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C22C19sing1.47Å1.50Å
C22C23doub1.40Å1.41ÅAromatic
C22C27sing1.40Å1.40ÅAromatic
C1C5doub1.40Å1.42ÅAromatic
C1Csing1.38Å1.41ÅAromatic
C1H1sing1.08Å1.10Å
N1C9sing1.38Å1.35Å
N1HN11sing0.97Å1.10Å
N1HN12sing0.97Å1.10Å
C2C3sing1.40Å1.40ÅAromatic
C2Cdoub1.38Å1.40ÅAromatic
C2H2sing1.08Å1.10Å
C7C6sing1.51Å1.57Å
C7C10sing1.51Å1.53Å
C7Nsing1.46Å1.46Å
C7H7sing1.09Å1.11Å
C6Odoub1.21Å1.21Å
C6N3sing1.35Å1.41Å
C5C4sing1.39Å1.40ÅAromatic
C5C8sing1.48Å1.52Å
C4C3doub1.39Å1.42ÅAromatic
C4H4sing1.08Å1.10Å
C3C9sing1.48Å1.49Å
C11C10doub1.38Å1.40ÅAromatic
C11C12sing1.38Å1.39ÅAromatic
C11H11sing1.08Å1.10Å
C10C15sing1.38Å1.41ÅAromatic
C9N2doub1.30Å1.34Å
C8O1doub1.22Å1.23Å
C8Nsing1.35Å1.42Å
C12C13doub1.38Å1.40ÅAromatic
C12H12sing1.08Å1.10Å
C17C16sing1.53Å1.52Å
C17C18sing1.53Å1.54Å
C17H171sing1.09Å1.11Å
C17H172sing1.09Å1.12Å
C16N3sing1.47Å1.46Å
C16H161sing1.09Å1.11Å
C16H162sing1.09Å1.11Å
C14C13sing1.38Å1.39ÅAromatic
C14C15doub1.38Å1.40ÅAromatic
C14H14sing1.08Å1.10Å
C13H13sing1.08Å1.10Å
C15H15sing1.08Å1.10Å
C18C19sing1.51Å1.55Å
C18C20sing1.53Å1.56Å
C18H18sing1.09Å1.12Å
C19O2doub1.21Å1.21Å
C20C21sing1.53Å1.53Å
C20H201sing1.09Å1.11Å
C20H202sing1.09Å1.12Å
CHsing1.08Å1.10Å
NHAsing0.97Å1.02Å
N2HBsing0.97Å1.10Å
N3C21sing1.47Å1.48Å
C21H211sing1.09Å1.12Å
C21H212sing1.09Å1.11Å
C23C24sing1.38Å1.39ÅAromatic
C23H23sing1.08Å1.10Å
C24C25doub1.38Å1.40ÅAromatic
C24H24sing1.08Å1.10Å
C25C26sing1.38Å1.39ÅAromatic
C25H25sing1.08Å1.10Å
C26C27doub1.38Å1.40ÅAromatic
C26H26sing1.08Å1.10Å
C27H27sing1.08Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C19C22C23118.0°120.2°
C19C22C27122.9°120.1°
C22C19C18118.3°120.0°
C22C19O2123.1°120.0°
C23C22C27119.1°119.7°
C22C23C24117.3°119.8°
C22C23H23121.3°120.1°
C22C27C26122.0°119.8°
C22C27H27118.9°120.1°
C5C1C118.1°120.1°
C5C1H1120.9°120.0°
C1C5C4121.2°119.8°
C1C5C8119.6°120.0°
CC1H1120.9°119.9°
C1CC2121.3°120.3°
C1CH119.3°119.9°
C9N1HN11118.4°120.0°
C9N1HN12125.8°120.0°
N1C9C3118.4°120.0°
N1C9N2125.8°120.0°
HN11N1HN12113.8°120.0°
C3C2C120.0°120.1°
C3C2H2120.0°119.9°
C2C3C4119.9°119.8°
C2C3C9123.6°120.1°
CC2H2120.0°119.9°
C2CH119.3°119.8°
C6C7C10106.2°109.5°
C6C7N114.6°109.5°
C6C7H7107.8°109.5°
C7C6O124.8°120.0°
C7C6N3112.5°120.0°
C10C7N112.2°109.5°
C10C7H7107.9°109.5°
C7C10C11119.1°120.0°
C7C10C15119.9°120.0°
NC7H7107.8°109.4°
C7NC8117.3°120.1°
C7NHA121.3°120.0°
OC6N3122.4°120.0°
C6N3C16116.7°120.6°
C6N3C21114.5°120.6°
C4C5C8119.3°120.2°
C5C4C3119.4°119.8°
C5C4H4120.3°120.1°
C5C8O1117.0°119.9°
C5C8N118.5°120.1°
C3C4H4120.3°120.2°
C4C3C9116.5°120.1°
C3C9N2113.7°120.0°
C10C11C12120.8°120.0°
C10C11H11119.6°120.0°
C11C10C15121.0°120.0°
C12C11H11119.6°120.0°
C11C12C13118.5°120.0°
C11C12H12120.8°120.0°
C10C15C14117.7°120.0°
C10C15H15121.1°120.0°
C9N2HB125.8°120.0°
O1C8N124.5°120.0°
C8NHA121.4°120.0°
C13C12H12120.7°120.0°
C12C13C14120.9°120.0°
C12C13H13119.5°120.0°
C16C17C18115.2°109.4°
C16C17H171110.1°109.5°
C16C17H172110.1°109.5°
C17C16N3118.8°108.8°
C17C16H161108.9°109.6°
C17C16H162108.8°109.7°
C18C17H171110.1°109.5°
C18C17H172110.1°109.4°
C17C18C19106.1°109.5°
C17C18C20110.8°109.5°
C17C18H18113.0°109.4°
H171C17H172100.1°109.5°
N3C16H161108.8°109.6°
N3C16H162108.8°109.6°
C16N3C21119.7°118.7°
H161C16H162101.2°109.7°
C13C14C15121.0°120.0°
C13C14H14119.5°120.0°
C14C13H13119.5°120.0°
C15C14H14119.5°120.0°
C14C15H15121.1°120.0°
C19C18C20100.2°109.5°
C19C18H18112.9°109.5°
C18C19O2118.6°120.0°
C20C18H18113.0°109.5°
C18C20C21108.8°109.5°
C18C20H201112.4°109.4°
C18C20H202112.4°109.5°
C21C20H201112.4°109.6°
C21C20H202112.5°109.3°
C20C21N3113.2°109.0°
C20C21H211110.9°109.7°
C20C21H212110.8°109.6°
H201C20H20298.0°109.5°
N3C21H211110.8°109.6°
N3C21H212110.8°109.3°
H211C21H21299.5°109.6°
C24C23H23121.4°120.1°
C23C24C25124.0°120.2°
C23C24H24118.0°119.9°
C25C24H24118.0°119.9°
C24C25C26118.0°120.3°
C24C25H25121.0°119.8°
C26C25H25121.0°119.8°
C25C26C27119.4°120.2°
C25C26H26120.3°119.9°
C27C26H26120.3°119.9°
C26C27H27119.0°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C19C22C23C27179.9°179.7°
C22C19C18C17102.5°150.0°
C22C19C18O2179.7°180.0°
C22C19C18C20142.2°90.0°
C22C19C18H1821.7°30.1°
C19C22C23C24179.6°180.0°
C19C22C23H230.4°0.0°
C19C22C27C26179.7°179.7°
C19C22C27H270.4°0.3°
C23C22C19C18164.5°180.0°
C23C22C19O215.2°0.0°
C22C23C24H23180.0°180.0°
C22C23C24C250.0°0.1°
C22C23C24H24180.0°180.0°
C23C22C27C260.4°0.6°
C23C22C27H27179.6°180.0°
C27C22C19C1815.4°0.3°
C27C22C19O2164.9°179.7°
C27C22C23C240.4°0.3°
C27C22C23H23179.6°179.7°
C22C27C26C250.1°0.6°
C22C27C26H27180.0°179.4°
C22C27C26H26179.9°179.7°
C5C1CH1180.0°180.0°
C5C1CC20.8°0.0°
C1C5C4C8180.0°179.8°
C1C5C4C31.2°0.5°
C1C5C4H4178.8°180.0°
C1C5C8O116.3°180.0°
C1C5C8N165.4°0.0°
C5C1CH179.2°180.0°
C1CC2C31.6°0.1°
C1CC2H180.0°180.0°
C1CC2H2178.4°180.0°
CC1C5C40.6°0.2°
CC1C5C8179.4°180.0°
H1C1CC2179.2°180.0°
H1C1C5C4179.4°179.8°
H1C1C5C80.6°0.0°
H1C1CH0.8°0.0°
C9N1HN11HN12164.8°179.7°
N1C9C3C27.1°0.0°
N1C9C3C4173.1°179.7°
N1C9C3N2164.8°180.0°
N1C9N2HB180.0°180.0°
HN11N1C9C3180.0°180.0°
HN11N1C9N217.2°0.0°
HN12N1C9C317.2°0.3°
HN12N1C9N2180.0°179.7°
C3C2CH2180.0°179.9°
C2C3C4C50.4°0.5°
C2C3C4C9179.8°179.7°
C2C3C4H4179.6°179.9°
C2C3C9N2157.7°180.0°
C3C2CH178.4°179.9°
CC2C3C41.0°0.3°
CC2C3C9179.2°180.0°
H2C2C3C4179.0°179.8°
H2C2C3C90.7°0.1°
H2C2CH1.6°0.0°
C6C7C10N126.0°120.0°
C6C7C10H7115.4°120.0°
C6C7NH7120.1°120.0°
C7C6ON3173.6°179.9°
C6C7C10C11114.9°106.5°
C6C7C10C1563.3°73.2°
C6C7NC8151.6°150.0°
C7C6N3C16153.7°175.0°
C6C7NHA28.4°30.1°
C7C6N3C216.8°4.8°
C10C7NH7118.7°120.0°
C10C7C6O25.4°94.8°
C10C7C6N3148.7°85.1°
C7C10C11C15178.2°179.7°
C7C10C11C12179.8°180.0°
C7C10C11H110.2°0.0°
C10C7NC887.2°90.0°
C7C10C15C14179.6°179.7°
C7C10C15H150.4°0.3°
C10C7NHA92.8°89.9°
NC7C6O99.1°25.2°
NC7C6N386.8°154.9°
C7NC8C5179.5°180.0°
NC7C10C1111.0°133.5°
NC7C10C15170.7°46.8°
C7NC8O11.3°0.1°
C7NC8HA180.0°179.9°
H7C7C6O140.8°145.2°
H7C7C6N333.3°34.9°
H7C7C10C11129.7°13.5°
H7C7C10C1552.0°166.7°
H7C7NC831.5°30.1°
H7C7NHA148.5°150.1°
OC6N3C1632.0°4.9°
OC6N3C21178.9°175.3°
C6N3C16C17167.1°126.5°
C6N3C16C21145.2°179.8°
C6N3C16H16167.7°113.8°
C6N3C16H16241.8°6.6°
C6N3C21C20175.4°126.5°
C6N3C21H21159.3°6.4°
C6N3C21H21250.1°113.8°
C5C4C3H4180.0°179.6°
C5C4C3C9179.4°179.8°
C4C5C8O1163.7°0.2°
C4C5C8N14.6°179.8°
C8C5C4C3178.8°179.7°
C8C5C4H41.1°0.2°
C5C8O1N178.2°179.9°
C5C8NHA0.5°0.1°
C4C3C9N222.1°0.3°
H4C4C3C90.6°0.2°
C3C9N2HB16.5°0.0°
C10C11C12H11180.0°179.9°
C10C11C12C131.3°0.1°
C10C11C12H12178.7°180.0°
C11C10C15C141.4°0.5°
C11C10C15H15178.6°180.0°
C12C11C10C151.6°0.3°
C11C12C13H12180.0°180.0°
C11C12C13C140.9°0.0°
C11C12C13H13179.1°180.0°
H11C11C10C15178.4°179.7°
H11C11C12C13178.7°180.0°
H11C11C12H121.3°0.0°
C10C15C14C131.0°0.5°
C10C15C14H15180.0°179.5°
C10C15C14H14179.0°179.8°
O1C8NHA178.6°180.0°
C12C13C14H13180.0°179.9°
C12C13C14C150.8°0.2°
C12C13C14H14179.2°180.0°
H12C12C13C14179.1°180.0°
H12C12C13H130.9°0.1°
C16C17C18H171125.3°120.0°
C16C17C18H172125.3°119.9°
C16C17H171H172115.9°120.1°
C17C16N3H161125.3°119.8°
C17C16N3H162125.3°119.9°
C17C16H161H162114.6°120.4°
C16C17C18C19151.1°178.6°
C16C17C18C2043.2°61.3°
C16C17C18H1884.7°58.7°
C17C16N3C2121.8°53.3°
C18C17H171H172115.9°120.0°
C18C17C16N324.4°54.6°
C18C17C16H161149.6°65.2°
C18C17C16H162100.9°174.4°
C17C18C19C20115.3°120.1°
C17C18C19H18124.2°119.9°
C17C18C20H18127.9°119.9°
C17C18C19O277.8°30.1°
C17C18C20C2159.0°61.2°
C17C18C20H20166.3°178.7°
C17C18C20H202175.8°58.7°
H171C17C16N3100.9°174.6°
H171C17C16H16124.4°54.8°
H171C17C16H162133.9°65.6°
H171C17C18C1925.8°58.6°
H171C17C18C2082.1°178.7°
H171C17C18H18150.0°61.3°
H172C17C16N3149.7°65.3°
H172C17C16H16185.1°174.9°
H172C17C16H16224.4°54.5°
H172C17C18C1983.7°61.5°
H172C17C18C20168.5°58.6°
H172C17C18H1840.6°178.6°
N3C16H161H162114.5°120.3°
C16N3C21C2038.7°53.3°
C16N3C21H21186.6°173.3°
C16N3C21H212163.9°66.5°
H161C16N3C21147.1°66.5°
H162C16N3C21103.4°173.2°
C13C14C15H14180.0°179.8°
C13C14C15H15179.0°180.0°
C15C14C13H13179.2°179.8°
H14C14C13H130.8°0.1°
H14C14C15H151.0°0.3°
C19C18C20H18120.4°120.0°
C19C18C20C21170.7°178.7°
C19C18C20H20145.4°58.6°
C19C18C20H20264.1°61.4°
C20C18C19O237.5°90.0°
C18C20C21H201125.3°120.0°
C18C20C21H202125.3°120.0°
C18C20H201H202118.4°120.0°
C18C20C21N356.6°54.4°
C18C20C21H21168.7°174.4°
C18C20C21H212178.2°65.1°
H18C18C19O2158.0°150.0°
H18C18C20C2168.9°58.7°
H18C18C20H201165.8°61.4°
H18C18C20H20256.3°178.6°
C21C20H201H202118.4°119.9°
C20C21N3H211125.3°120.1°
C20C21N3H212125.2°119.8°
C20C21H211H212116.7°120.4°
H201C20C21N368.7°174.4°
H201C20C21H211166.0°65.5°
H201C20C21H21256.5°54.9°
H202C20C21N3178.2°65.6°
H202C20C21H21156.6°54.5°
H202C20C21H21252.9°174.9°
N3C21H211H212116.7°119.9°
C23C24C25H24180.0°179.9°
C23C24C25C260.5°0.1°
C23C24C25H25179.5°179.9°
H23C23C24C25180.0°179.9°
H23C23C24H240.0°0.0°
C24C25C26H25180.0°180.0°
C24C25C26C270.5°0.2°
C24C25C26H26179.5°180.0°
H24C24C25C26179.5°180.0°
H24C24C25H250.5°0.0°
C25C26C27H26180.0°179.7°
C25C26C27H27179.9°180.0°
H25C25C26C27179.5°179.7°
H25C25C26H260.5°0.0°
H26C26C27H270.0°0.2°

220113

PDB entries from 2024-05-22

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