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MBB

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC2doub1.39Å1.44ÅAromatic
CC4sing1.39Å1.49ÅAromatic
CNsing1.39Å1.53Å
C1C3doub1.40Å1.40ÅAromatic
C1C5sing1.40Å1.43ÅAromatic
C1C6sing1.48Å1.51ÅAromatic
C2C3sing1.38Å1.47ÅAromatic
C2H2sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
C4C5doub1.38Å1.47ÅAromatic
C4H4sing1.08Å1.08Å
C5C25sing1.51Å1.54Å
NCN1sing1.46Å1.54Å
NCN2sing1.46Å1.53Å
C6N1doub1.31Å1.38ÅAromatic
C6N2sing1.37Å1.31ÅAromatic
C7C8doub1.41Å1.40ÅAromatic
C7C12sing1.40Å1.43ÅAromatic
C7N1sing1.36Å1.44ÅAromatic
C8C9sing1.39Å1.47ÅAromatic
C8N2sing1.38Å1.36ÅAromatic
C9C10doub1.37Å1.45ÅAromatic
C9H9sing1.08Å1.08Å
C10C11sing1.40Å1.42ÅAromatic
C10H10sing1.08Å1.08Å
C11C12doub1.39Å1.41ÅAromatic
C11C13sing1.48Å1.45ÅAromatic
C12H12sing1.08Å1.08Å
N2HN2sing0.97Å1.00Å
C13N3doub1.31Å1.39ÅAromatic
C13N4sing1.37Å1.29ÅAromatic
C14C15doub1.41Å1.41ÅAromatic
C14N3sing1.36Å1.39ÅAromatic
C14C19sing1.40Å1.45ÅAromatic
C15C16sing1.39Å1.45ÅAromatic
C15N4sing1.38Å1.32ÅAromatic
C16C17doub1.38Å1.48ÅAromatic
C16H16sing1.08Å1.08Å
C17C18sing1.39Å1.48ÅAromatic
C17H17sing1.08Å1.08Å
C18C19doub1.38Å1.42ÅAromatic
C18N5sing1.40Å1.49Å
N4HN4sing0.97Å1.00Å
C19H19sing1.08Å1.08Å
N5C20sing1.47Å1.55Å
N5C23sing1.47Å1.58Å
N6C21sing1.47Å1.49Å
N6C22sing1.47Å1.57Å
N6C24sing1.47Å1.40Å
C20C21sing1.53Å1.57Å
C20H201sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C21H211sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
C22C23sing1.53Å1.55Å
C22H221sing1.09Å1.10Å
C22H222sing1.09Å1.10Å
C23H231sing1.09Å1.10Å
C23H232sing1.09Å1.10Å
C24H241sing1.09Å1.10Å
C24H242sing1.09Å1.10Å
C24H243sing1.09Å1.10Å
CN1HN11sing1.09Å1.10Å
CN1HN12sing1.09Å1.10Å
CN1HN13sing1.09Å1.10Å
CN2HN21sing1.09Å1.10Å
CN2HN22sing1.09Å1.10Å
CN2HN23sing1.09Å1.10Å
C25H251sing1.09Å1.10Å
C25H252sing1.09Å1.10Å
C25H253sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2CC4108.7°120.1°
C2CN125.3°119.9°
CC2C3125.2°120.1°
CC2H2117.4°119.9°
C4CN126.1°120.0°
CC4C5126.7°120.1°
CC4H4116.7°119.9°
CNCN1138.9°120.0°
CNCN2139.4°120.0°
C3C1C5115.5°119.8°
C3C1C6118.8°120.1°
C1C3C2123.8°120.0°
C1C3H3118.1°120.0°
C5C1C6125.7°120.1°
C1C5C4120.2°119.9°
C1C5C25122.3°120.0°
C1C6N1123.0°125.2°
C1C6N2129.0°125.1°
C3C2H2117.4°120.0°
C2C3H3118.1°120.0°
C5C4H4116.7°120.0°
C4C5C25117.5°120.0°
C5C25H251109.5°109.5°
C5C25H252109.5°109.5°
C5C25H253109.5°109.5°
CN1NCN281.7°120.0°
NCN1HN11109.5°109.5°
NCN1HN12109.5°109.5°
NCN1HN13109.5°109.4°
NCN2HN21109.5°109.5°
NCN2HN22109.5°109.5°
NCN2HN23109.4°109.5°
N1C6N2108.0°109.7°
C6N1C7108.3°109.7°
C6N2C8111.2°107.3°
C6N2HN2124.4°126.3°
C8C7C12120.0°119.5°
C8C7N1103.7°107.1°
C7C8C9121.9°120.1°
C7C8N2108.8°106.2°
C12C7N1136.2°133.3°
C7C12C11119.8°119.5°
C7C12H12120.1°120.3°
C9C8N2129.4°133.7°
C8C9C10116.4°120.2°
C8C9H9121.8°120.0°
C8N2HN2124.4°126.4°
C10C9H9121.8°119.9°
C9C10C11120.7°120.5°
C9C10H10119.6°119.7°
C11C10H10119.6°119.8°
C10C11C12121.1°120.2°
C10C11C13119.0°119.9°
C12C11C13119.9°119.9°
C11C12H12120.1°120.3°
C11C13N3124.7°125.1°
C11C13N4127.5°125.1°
N3C13N4107.7°109.8°
C13N3C14108.0°109.7°
C13N4C15111.9°107.2°
C13N4HN4124.1°126.4°
C15C14N3103.7°107.2°
C15C14C19121.2°119.5°
C14C15C16122.4°120.1°
C14C15N4108.7°106.1°
N3C14C19135.1°133.3°
C14C19C18119.5°119.7°
C14C19H19120.2°120.1°
C16C15N4128.9°133.8°
C15C16C17116.4°119.9°
C15C16H16121.8°120.0°
C15N4HN4124.0°126.4°
C17C16H16121.8°120.0°
C16C17C18121.1°120.4°
C16C17H17119.5°119.8°
C18C17H17119.5°119.9°
C17C18C19119.5°120.4°
C17C18N5119.4°119.7°
C19C18N5121.1°119.9°
C18C19H19120.3°120.1°
C18N5C20122.3°106.8°
C18N5C23122.5°106.7°
C20N5C23109.3°106.9°
N5C20C21111.1°109.7°
N5C20H201108.9°109.4°
N5C20H202108.6°109.4°
N5C23C22112.9°109.7°
N5C23H231108.4°109.5°
N5C23H232107.6°109.5°
C21N6C22109.3°106.9°
C21N6C24112.7°106.7°
N6C21C20112.5°109.6°
N6C21H211108.5°109.4°
N6C21H212107.8°109.4°
C22N6C24106.3°106.8°
N6C22C23110.1°109.7°
N6C22H221109.2°109.4°
N6C22H222109.1°109.4°
N6C24H241109.5°109.5°
N6C24H242109.5°109.5°
N6C24H243109.5°109.5°
C21C20H201108.9°109.5°
C21C20H202108.6°109.4°
C20C21H211108.5°109.4°
C20C21H212107.8°109.4°
H201C20H202110.7°109.4°
H211C21H212111.9°109.5°
C23C22H221109.3°109.5°
C23C22H222109.1°109.4°
C22C23H231108.3°109.4°
C22C23H232107.6°109.4°
H221C22H222110.0°109.4°
H231C23H232112.2°109.4°
H241C24H242109.4°109.5°
H241C24H243109.4°109.5°
H242C24H243109.5°109.4°
HN11CN1HN12109.4°109.5°
HN11CN1HN13109.4°109.5°
HN12CN1HN13109.5°109.5°
HN21CN2HN22109.5°109.5°
HN21CN2HN23109.5°109.5°
HN22CN2HN23109.5°109.4°
H251C25H252109.4°109.5°
H251C25H253109.5°109.5°
H252C25H253109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2CC4N179.8°180.0°
CC2C3C10.0°0.0°
CC2C3H2180.0°180.0°
CC2C3H3180.0°180.0°
C2CC4C50.2°0.3°
C2CC4H4179.8°179.9°
C2CNCN1179.6°174.4°
C2CNCN20.1°5.5°
CC4C5C10.1°0.6°
C4CC2C30.1°0.0°
C4CC2H2179.9°180.0°
CC4C5H4180.0°179.8°
CC4C5C25179.8°180.0°
C4CNCN10.1°5.6°
C4CNCN2179.8°174.4°
NCC2C3179.6°180.0°
NCC2H20.4°0.0°
NCC4C5179.6°179.7°
NCC4H40.4°0.0°
CNCN1CN2179.8°180.0°
CNCN1HN11154.3°180.0°
CNCN1HN1234.3°60.0°
CNCN1HN1385.8°60.0°
CNCN2HN2124.0°5.1°
CNCN2HN2296.0°125.1°
CNCN2HN23144.0°115.0°
C3C1C5C6179.9°179.6°
C1C3C2H3180.0°179.9°
C1C3C2H2180.0°180.0°
C3C1C5C40.1°0.6°
C3C1C5C25180.0°180.0°
C3C1C6N124.3°140.0°
C3C1C6N2155.4°40.1°
C5C1C3C20.1°0.3°
C5C1C3H3179.9°179.7°
C1C5C4C25179.9°179.4°
C1C5C4H4179.9°179.6°
C5C1C6N1155.6°39.6°
C5C1C6N224.7°140.3°
C1C5C25H251148.4°90.6°
C1C5C25H25228.4°29.4°
C1C5C25H25391.6°149.4°
C6C1C3C2179.8°179.9°
C6C1C3H30.2°0.2°
C6C1C5C4179.8°179.8°
C6C1C5C250.1°0.4°
C1C6N1N2179.8°179.9°
C1C6N1C7179.8°179.9°
C1C6N2C8179.9°179.9°
C1C6N2HN20.1°0.1°
H2C2C3H30.0°0.0°
C4C5C25H25131.7°90.0°
C4C5C25H252151.7°150.0°
C4C5C25H25388.3°30.0°
H4C4C5C250.2°0.2°
C5C25H251H252120.0°120.0°
C5C25H251H253120.0°120.0°
C5C25H252H253120.0°120.0°
NCN1HN11HN12120.0°120.0°
NCN1HN11HN13120.0°120.0°
NCN1HN12HN13120.0°119.9°
CN1NCN2HN21155.8°174.9°
CN1NCN2HN2284.2°54.9°
CN1NCN2HN2335.8°65.0°
CN2NCN1HN1125.9°0.0°
CN2NCN1HN12145.9°120.0°
CN2NCN1HN1394.0°120.0°
NCN2HN21HN22120.0°120.0°
NCN2HN21HN23120.0°120.0°
NCN2HN22HN23120.0°120.0°
C6N1C7C80.0°0.0°
C6N1C7C12179.8°179.6°
N1C6N2C80.1°0.0°
N1C6N2HN2179.9°180.0°
C6N2C8C70.1°0.0°
N2C6N1C70.1°0.0°
C6N2C8C9180.0°179.9°
C6N2C8HN2179.9°180.0°
C8C7C12N1179.8°179.5°
C7C8C9N2180.0°179.9°
C7C8C9C100.1°0.1°
C7C8C9H9179.9°179.9°
C8C7C12C110.0°0.6°
C8C7C12H12180.0°179.6°
C7C8N2HN2179.9°180.0°
C12C7C8C90.1°0.3°
C12C7C8N2179.9°179.7°
C7C12C11C100.1°0.6°
C7C12C11H12180.0°179.7°
C7C12C11C13179.6°179.7°
N1C7C8C9180.0°179.9°
N1C7C8N20.0°0.0°
N1C7C12C11179.9°179.8°
N1C7C12H120.2°0.1°
C8C9C10H9180.0°179.9°
C8C9C10C110.0°0.1°
C8C9C10H10180.0°180.0°
C9C8N2HN20.1°0.1°
N2C8C9C10179.9°180.0°
N2C8C9H90.1°0.2°
C9C10C11H10180.0°180.0°
C9C10C11C120.1°0.3°
C9C10C11C13179.6°180.0°
H9C9C10C11180.0°179.9°
H9C9C10H100.0°0.1°
C10C11C12C13179.7°179.7°
C10C11C12H12179.9°179.7°
C10C11C13N3166.9°140.1°
C10C11C13N413.0°40.0°
H10C10C11C12179.9°179.7°
H10C10C11C130.4°0.0°
C12C11C13N312.8°39.6°
C12C11C13N4167.3°140.3°
C13C11C12H120.4°0.0°
C11C13N3N4179.9°179.9°
C11C13N3C14179.9°180.0°
C11C13N4C15179.9°179.9°
C11C13N4HN40.1°0.0°
C13N3C14C150.2°0.1°
C13N3C14C19179.7°179.7°
N3C13N4C150.2°0.0°
N3C13N4HN4179.8°180.0°
C13N4C15C140.1°0.0°
N4C13N3C140.2°0.1°
C13N4C15C16180.0°180.0°
C13N4C15HN4180.0°180.0°
C15C14N3C19179.8°179.7°
C14C15C16N4179.9°180.0°
C14C15C16C170.2°0.0°
C14C15C16H16179.8°180.0°
C15C14C19C180.1°0.5°
C14C15N4HN4179.9°180.0°
C15C14C19H19179.9°179.8°
N3C14C15C16179.9°180.0°
N3C14C15N40.1°0.1°
N3C14C19C18179.9°179.8°
N3C14C19H190.1°0.1°
C19C14C15C160.3°0.3°
C19C14C15N4179.8°179.7°
C14C19C18C170.1°0.6°
C14C19C18H19180.0°179.7°
C14C19C18N5179.9°179.7°
C15C16C17H16180.0°180.0°
C15C16C17C180.0°0.1°
C15C16C17H17180.0°180.0°
C16C15N4HN40.0°0.0°
N4C15C16C17179.9°179.9°
N4C15C16H160.1°0.0°
C16C17C18H17180.0°179.9°
C16C17C18C190.2°0.3°
C16C17C18N5179.9°180.0°
H16C16C17C18180.0°180.0°
H16C16C17H170.0°0.0°
C17C18C19N5180.0°179.7°
C17C18C19H19179.9°179.7°
C17C18N5C20166.5°0.0°
C17C18N5C2316.3°114.0°
H17C17C18C19179.8°179.7°
H17C17C18N50.1°0.0°
C19C18N5C2013.6°179.7°
C19C18N5C23163.8°65.7°
N5C18C19H190.1°0.0°
C18N5C20C23153.6°113.9°
C18N5C20C21154.1°175.1°
C18N5C20H20186.0°64.8°
C18N5C20H20234.7°55.1°
C18N5C23C22153.1°175.1°
C18N5C23H23133.1°64.8°
C18N5C23H23288.4°55.1°
N5C20C21N658.3°62.9°
N5C20C21H201120.0°120.1°
N5C20C21H202119.4°120.0°
N5C20H201H202119.4°119.8°
N5C20C21H21161.7°57.1°
N5C20C21H212177.0°177.0°
C20N5C23C2253.3°61.2°
C20N5C23H231173.3°178.8°
C20N5C23H23265.2°58.8°
N5C23C22N656.0°62.9°
C23N5C20C2152.3°61.2°
C23N5C20H20167.7°178.7°
C23N5C20H202171.6°58.8°
N5C23C22H231120.0°120.1°
N5C23C22H232118.5°120.1°
N5C23C22H221176.0°177.0°
N5C23C22H22263.7°57.1°
N5C23H231H232118.6°120.0°
C21N6C22C24121.9°113.9°
N6C21C20H211120.0°120.0°
N6C21C20H212118.7°120.1°
N6C21C20H20161.7°177.0°
N6C21C20H202177.7°57.1°
N6C21H211H212118.8°119.9°
C21N6C22C2358.3°61.2°
C21N6C22H221178.3°178.7°
C21N6C22H22261.5°58.8°
C21N6C24H24185.8°180.0°
C21N6C24H242154.2°59.9°
C21N6C24H24334.2°60.0°
C22N6C21C2059.8°61.2°
C22N6C21H21160.2°58.8°
C22N6C21H212178.5°178.8°
N6C22C23H221120.0°120.1°
N6C22C23H222119.7°120.0°
N6C22H221H222119.7°119.8°
N6C22C23H231176.1°177.0°
N6C22C23H23262.5°57.2°
C22N6C24H24133.9°66.0°
C22N6C24H24286.1°174.0°
C22N6C24H243153.9°54.0°
C24N6C21C20177.8°175.1°
C24N6C21H21157.8°55.1°
C24N6C21H21263.5°64.8°
C24N6C22C23179.8°175.1°
C24N6C22H22159.8°64.8°
C24N6C22H22260.5°55.0°
N6C24H241H242120.0°120.0°
N6C24H241H243120.0°120.0°
N6C24H242H243120.0°120.0°
C21C20H201H202119.3°119.9°
C20C21H211H212118.8°119.9°
H201C20C21H211178.3°63.0°
H201C20C21H21257.1°56.9°
H202C20C21H21157.7°177.1°
H202C20C21H21263.6°62.9°
C23C22H221H222119.7°119.9°
C22C23H231H232118.6°119.8°
H221C22C23H23163.9°56.9°
H221C22C23H23257.5°62.9°
H222C22C23H23156.3°63.0°
H222C22C23H232177.8°177.2°
H241C24H242H243120.0°120.0°
HN11CN1HN12HN13120.0°120.0°
HN21CN2HN22HN23120.0°120.0°
H251C25H252H253120.0°120.0°

224931

PDB entries from 2024-09-11

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