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BBZ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC2doub1.39Å1.45ÅAromatic
CC4sing1.39Å1.49ÅAromatic
CNsing1.39Å1.50Å
C1C3doub1.40Å1.40ÅAromatic
C1C5sing1.40Å1.41ÅAromatic
C1C6sing1.48Å1.48ÅAromatic
C2C3sing1.38Å1.47ÅAromatic
C2H2sing1.08Å1.10Å
C3H3sing1.08Å1.10Å
C4C5doub1.38Å1.47ÅAromatic
C4H4sing1.08Å1.10Å
C5H5sing1.08Å1.10Å
NCN1sing1.46Å1.53Å
NCN2sing1.46Å1.44Å
C6N1doub1.31Å1.37ÅAromatic
C6N2sing1.37Å1.35ÅAromatic
C7C8doub1.41Å1.42ÅAromatic
C7C12sing1.40Å1.44ÅAromatic
C7N1sing1.36Å1.42ÅAromatic
C8C9sing1.39Å1.48ÅAromatic
C8N2sing1.38Å1.37ÅAromatic
C9C10doub1.37Å1.46ÅAromatic
C9H9sing1.08Å1.10Å
C10C11sing1.40Å1.44ÅAromatic
C10H10sing1.08Å1.10Å
C11C12doub1.39Å1.42ÅAromatic
C11C13sing1.48Å1.44ÅAromatic
C12H12sing1.08Å1.10Å
N2HN2sing0.97Å1.02Å
C13N3doub1.31Å1.40ÅAromatic
C13N4sing1.37Å1.30ÅAromatic
C14C15doub1.41Å1.43ÅAromatic
C14N3sing1.36Å1.42ÅAromatic
C14C19sing1.40Å1.46ÅAromatic
C15C16sing1.39Å1.46ÅAromatic
C15N4sing1.38Å1.33ÅAromatic
C16C17doub1.38Å1.45ÅAromatic
C16H16sing1.08Å1.10Å
C17C18sing1.39Å1.47ÅAromatic
C17H17sing1.08Å1.10Å
C18C19doub1.38Å1.42ÅAromatic
C18N5sing1.40Å1.47Å
N4HN4sing0.97Å1.02Å
C19H19sing1.08Å1.10Å
N5C20sing1.47Å1.54Å
N5C23sing1.47Å1.60Å
N6C21sing1.47Å1.57Å
N6C22sing1.47Å1.52Å
N6C24sing1.47Å1.57Å
C20C21sing1.53Å1.57Å
C20H201sing1.09Å1.11Å
C20H202sing1.09Å1.11Å
C21H211sing1.09Å1.12Å
C21H212sing1.09Å1.11Å
C22C23sing1.53Å1.60Å
C22H221sing1.09Å1.12Å
C22H222sing1.09Å1.11Å
C23H231sing1.09Å1.12Å
C23H232sing1.09Å1.12Å
C24H241sing1.09Å1.11Å
C24H242sing1.09Å1.11Å
C24H243sing1.09Å1.12Å
CN1HN11sing1.09Å1.12Å
CN1HN12sing1.09Å1.11Å
CN1HN13sing1.09Å1.12Å
CN2HN21sing1.09Å1.12Å
CN2HN22sing1.09Å1.11Å
CN2HN23sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2CC4110.0°120.1°
C2CN123.8°120.0°
CC2C3124.1°120.1°
CC2H2117.3°119.9°
C4CN126.2°119.9°
CC4C5125.7°120.1°
CC4H4118.0°119.9°
CNCN1139.5°120.0°
CNCN2134.5°120.0°
C3C1C5117.7°119.8°
C3C1C6120.3°120.1°
C1C3C2122.4°119.9°
C1C3H3116.3°120.0°
C5C1C6122.0°120.1°
C1C5C4120.0°120.0°
C1C5H5118.0°120.0°
C1C6N1122.2°125.2°
C1C6N2129.4°125.1°
C3C2H2118.6°119.9°
C2C3H3121.3°120.1°
C5C4H4116.3°120.0°
C4C5H5122.0°120.0°
CN1NCN285.9°120.0°
NCN1HN11139.6°109.5°
NCN1HN12102.0°109.5°
NCN1HN13102.0°109.5°
NCN2HN21134.5°109.5°
NCN2HN22103.6°109.5°
NCN2HN23103.6°109.5°
N1C6N2108.4°109.8°
C6N1C7109.2°109.6°
C6N2C8109.9°107.3°
C6N2HN2124.6°126.4°
C8C7C12120.8°119.5°
C8C7N1104.1°107.2°
C7C8C9121.5°120.1°
C7C8N2108.4°106.1°
C12C7N1135.0°133.4°
C7C12C11118.8°119.6°
C7C12H12121.5°120.3°
C9C8N2130.1°133.7°
C8C9C10116.4°120.2°
C8C9H9122.4°119.9°
C8N2HN2125.5°126.4°
C10C9H9121.3°119.9°
C9C10C11120.9°120.4°
C9C10H10120.2°119.7°
C11C10H10118.9°119.9°
C10C11C12121.6°120.2°
C10C11C13118.8°119.9°
C12C11C13119.6°119.9°
C11C12H12119.7°120.2°
C11C13N3125.7°125.1°
C11C13N4127.7°125.1°
N3C13N4106.6°109.8°
C13N3C14108.6°109.7°
C13N4C15113.6°107.2°
C13N4HN4122.1°126.4°
C15C14N3103.4°107.1°
C15C14C19121.0°119.5°
C14C15C16122.7°120.0°
C14C15N4107.7°106.2°
N3C14C19135.5°133.4°
C14C19C18117.7°119.8°
C14C19H19122.5°120.1°
C16C15N4129.6°133.8°
C15C16C17115.7°120.0°
C15C16H16122.4°120.0°
C15N4HN4124.2°126.4°
C17C16H16121.9°120.0°
C16C17C18121.8°120.4°
C16C17H17118.3°119.8°
C18C17H17119.9°119.8°
C17C18C19121.1°120.4°
C17C18N5122.5°119.8°
C19C18N5116.4°119.8°
C18C19H19119.7°120.1°
C18N5C20128.9°106.7°
C18N5C23119.7°106.7°
C20N5C23111.1°106.9°
N5C20C21114.7°109.7°
N5C20H201110.3°109.5°
N5C20H202110.3°109.4°
N5C23C22103.4°109.7°
N5C23H231114.5°109.4°
N5C23H232114.5°109.5°
C21N6C22114.0°106.9°
C21N6C2478.8°106.7°
N6C21C20100.1°109.6°
N6C21H211115.8°109.4°
N6C21H212115.9°109.5°
C22N6C24125.8°106.7°
N6C22C23113.6°109.6°
N6C22H221110.7°109.4°
N6C22H222110.7°109.4°
N6C24H24178.8°109.5°
N6C24H242125.1°109.5°
N6C24H243125.1°109.4°
C21C20H201110.3°109.4°
C21C20H202110.3°109.4°
C20C21H211115.8°109.4°
C20C21H212115.8°109.4°
H201C20H202100.0°109.5°
H211C21H21294.6°109.4°
C23C22H221110.7°109.4°
C23C22H222110.7°109.5°
C22C23H231114.5°109.4°
C22C23H232114.6°109.5°
H221C22H22299.6°109.4°
H231C23H23295.9°109.4°
H241C24H242125.2°109.5°
H241C24H243125.1°109.4°
H242C24H24383.8°109.5°
HN11CN1HN12102.1°109.4°
HN11CN1HN13102.0°109.5°
HN12CN1HN13105.9°109.5°
HN21CN2HN22103.6°109.5°
HN21CN2HN23103.7°109.4°
HN22CN2HN23105.1°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2CC4N179.9°180.0°
CC2C3C10.2°0.0°
CC2C3H2180.0°180.0°
CC2C3H3179.9°179.9°
C2CC4C50.3°0.3°
C2CC4H4179.7°180.0°
C2CNCN1179.9°5.6°
C2CNCN23.5°174.4°
CC4C5C10.1°0.6°
C4CC2C30.3°0.0°
C4CC2H2179.7°180.0°
CC4C5H4180.0°179.8°
CC4C5H5179.9°179.9°
C4CNCN10.0°174.5°
C4CNCN2176.4°5.5°
NCC2C3179.7°180.0°
NCC2H20.3°0.0°
NCC4C5179.8°179.7°
NCC4H40.3°0.1°
CNCN1CN2177.4°180.0°
CNCN1HN11179.9°180.0°
CNCN1HN1254.7°60.0°
CNCN1HN1354.7°60.0°
CNCN2HN21180.0°5.0°
CNCN2HN2254.8°125.0°
CNCN2HN2354.7°114.9°
C3C1C5C6178.9°179.7°
C1C3C2H3180.0°179.9°
C1C3C2H2179.8°180.0°
C3C1C5C40.1°0.6°
C3C1C5H5179.9°180.0°
C3C1C6N123.2°39.7°
C3C1C6N2155.7°140.3°
C5C1C3C20.0°0.3°
C5C1C3H3179.9°179.8°
C1C5C4H5180.0°179.4°
C1C5C4H4179.9°179.7°
C5C1C6N1157.9°140.0°
C5C1C6N223.2°40.0°
C6C1C3C2178.9°180.0°
C6C1C3H31.2°0.1°
C6C1C5C4178.8°179.7°
C6C1C5H51.2°0.3°
C1C6N1N2179.1°180.0°
C1C6N1C7179.0°180.0°
C1C6N2C8178.9°180.0°
C1C6N2HN21.1°0.1°
H2C2C3H30.2°0.1°
H4C4C5H50.1°0.3°
NCN1HN11HN12125.4°120.0°
NCN1HN11HN13125.2°120.1°
NCN1HN12HN13106.4°120.0°
CN1NCN2HN212.3°175.0°
CN1NCN2HN22122.9°54.9°
CN1NCN2HN23127.6°65.1°
CN2NCN1HN112.5°0.0°
CN2NCN1HN12127.9°120.0°
CN2NCN1HN13122.7°120.0°
NCN2HN21HN22125.2°120.1°
NCN2HN21HN23125.3°120.0°
NCN2HN22HN23108.4°120.1°
C6N1C7C80.1°0.0°
C6N1C7C12179.4°179.7°
N1C6N2C80.0°0.0°
N1C6N2HN2179.9°179.9°
C6N2C8C70.0°0.0°
N2C6N1C70.1°0.1°
C6N2C8C9179.8°180.0°
C6N2C8HN2180.0°179.9°
C8C7C12N1179.5°179.6°
C7C8C9N2179.8°180.0°
C7C8C9C100.3°0.0°
C7C8C9H9179.6°180.0°
C8C7C12C110.0°0.6°
C8C7C12H12179.9°179.6°
C7C8N2HN2180.0°179.9°
C12C7C8C90.3°0.3°
C12C7C8N2179.5°179.7°
C7C12C11C100.4°0.6°
C7C12C11H12180.0°179.8°
C7C12C11C13179.4°179.7°
N1C7C8C9179.9°180.0°
N1C7C8N20.1°0.0°
N1C7C12C11179.4°179.8°
N1C7C12H120.6°0.0°
C8C9C10H9179.9°180.0°
C8C9C10C110.0°0.0°
C8C9C10H10180.0°180.0°
C9C8N2HN20.2°0.1°
N2C8C9C10179.4°180.0°
N2C8C9H90.6°0.0°
C9C10C11H10180.0°180.0°
C9C10C11C120.3°0.3°
C9C10C11C13179.4°180.0°
H9C9C10C11179.9°180.0°
H9C9C10H100.0°0.1°
C10C11C12C13179.7°179.7°
C10C11C12H12179.6°179.6°
C10C11C13N3151.7°140.0°
C10C11C13N429.0°39.9°
H10C10C11C12179.7°179.7°
H10C10C11C130.6°0.0°
C12C11C13N328.6°39.7°
C12C11C13N4150.7°140.4°
C13C11C12H120.7°0.1°
C11C13N3N4179.4°180.0°
C11C13N3C14179.5°180.0°
C11C13N4C15179.5°180.0°
C11C13N4HN40.6°0.0°
C13N3C14C150.0°0.0°
C13N3C14C19179.9°179.7°
N3C13N4C150.0°0.0°
N3C13N4HN4180.0°180.0°
C13N4C15C140.0°0.0°
N4C13N3C140.0°0.0°
C13N4C15C16180.0°179.9°
C13N4C15HN4180.0°180.0°
C15C14N3C19179.9°179.7°
C14C15C16N4180.0°179.9°
C14C15C16C170.1°0.1°
C14C15C16H16179.8°180.0°
C15C14C19C180.1°0.6°
C14C15N4HN4180.0°180.0°
C15C14C19H19179.8°179.7°
N3C14C15C16180.0°179.9°
N3C14C15N40.0°0.0°
N3C14C19C18179.8°179.7°
N3C14C19H190.2°0.0°
C19C14C15C160.0°0.3°
C19C14C15N4179.9°179.8°
C14C19C18C170.1°0.6°
C14C19C18H19179.9°179.7°
C14C19C18N5179.9°179.8°
C15C16C17H16180.0°179.9°
C15C16C17C180.2°0.1°
C15C16C17H17179.9°179.9°
C16C15N4HN40.0°0.1°
N4C15C16C17179.8°180.0°
N4C15C16H160.2°0.1°
C16C17C18H17180.0°180.0°
C16C17C18C190.0°0.3°
C16C17C18N5180.0°180.0°
H16C16C17C18179.8°180.0°
H16C16C17H170.2°0.0°
C17C18C19N5180.0°179.7°
C17C18C19H19179.8°179.7°
C17C18N5C20144.6°0.0°
C17C18N5C2343.2°113.9°
H17C17C18C19180.0°179.7°
H17C17C18N50.0°0.0°
C19C18N5C2035.4°179.7°
C19C18N5C23136.9°65.7°
N5C18C19H190.2°0.1°
C18N5C20C23172.8°113.9°
C18N5C20C21149.3°175.1°
C18N5C20H20185.5°64.9°
C18N5C20H20224.1°55.1°
C18N5C23C22144.9°175.1°
C18N5C23H23189.8°64.9°
C18N5C23H23219.6°55.0°
N5C20C21N670.0°62.9°
N5C20C21H201125.3°120.1°
N5C20C21H202125.2°120.0°
N5C20H201H202116.1°120.0°
N5C20C21H21155.2°57.1°
N5C20C21H212164.7°177.0°
C20N5C23C2241.6°61.3°
C20N5C23H23183.8°178.8°
C20N5C23H232166.9°58.9°
N5C23C22N663.9°63.0°
C23N5C20C2123.5°61.2°
C23N5C20H201101.8°178.8°
C23N5C20H202148.7°58.8°
N5C23C22H231125.3°120.0°
N5C23C22H232125.3°120.1°
N5C23C22H22161.3°177.0°
N5C23C22H222170.8°57.1°
N5C23H231H232120.4°119.9°
C21N6C22C2493.4°113.9°
N6C21C20H211125.3°120.0°
N6C21C20H212125.3°120.1°
N6C21C20H20155.2°177.0°
N6C21C20H202164.8°57.1°
N6C21H211H212121.7°119.9°
C21N6C22C2316.5°61.2°
C21N6C22H221108.8°178.8°
C21N6C22H222141.7°58.8°
C21N6C24H241180.0°180.0°
C21N6C24H24254.7°59.9°
C21N6C24H24354.7°60.1°
C22N6C21C2046.7°61.2°
C22N6C21H21178.5°58.8°
C22N6C21H212172.0°178.7°
N6C22C23H221125.3°120.0°
N6C22C23H222125.3°120.0°
N6C22H221H222116.6°119.9°
N6C22C23H23161.3°177.0°
N6C22C23H232170.7°57.2°
C22N6C24H24168.3°65.9°
C22N6C24H242166.3°174.0°
C22N6C24H24356.9°53.9°
C24N6C21C20171.1°175.1°
C24N6C21H21145.8°55.1°
C24N6C21H21263.7°64.8°
C24N6C22C2376.9°175.1°
C24N6C22H221157.8°64.9°
C24N6C22H22248.3°55.1°
N6C24H241H242125.2°120.0°
N6C24H241H243125.2°119.9°
N6C24H242H243129.1°120.0°
C21C20H201H202116.1°119.9°
C20C21H211H212121.6°119.9°
H201C20C21H211179.5°63.0°
H201C20C21H21270.1°56.9°
H202C20C21H21170.0°177.1°
H202C20C21H21239.4°63.0°
C23C22H221H222116.5°120.0°
C22C23H231H232120.4°119.9°
H221C22C23H231173.4°57.0°
H221C22C23H23264.0°62.8°
H222C22C23H23163.9°62.9°
H222C22C23H23245.5°177.2°
H241C24H242H243129.1°119.9°
HN11CN1HN12HN13106.3°120.0°
HN21CN2HN22HN23108.5°119.9°

250359

PDB entries from 2026-03-11

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