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12C

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.40Å1.41ÅAromatic
C1C6doub1.41Å1.41ÅAromatic
C1C10sing1.47Å1.49ÅAromatic
C2C3doub1.38Å1.40ÅAromatic
C2H2sing1.08Å1.08Å
C3CLsing1.74Å1.72Å
C3C4sing1.39Å1.40ÅAromatic
C4C5doub1.38Å1.41ÅAromatic
C4H4sing1.08Å1.08Å
C5C6sing1.39Å1.41ÅAromatic
C5H5sing1.08Å1.08Å
C6N1sing1.38Å1.40ÅAromatic
N1C7sing1.34Å1.38ÅAromatic
N1HN1sing0.97Å1.00Å
C7O1doub1.22Å1.23Å
C7C8sing1.42Å1.51ÅAromatic
C8C9sing1.47Å1.45ÅAromatic
C8C10doub1.40Å1.37ÅAromatic
C9N3sing1.37Å1.33ÅAromatic
C9N4doub1.31Å1.39ÅAromatic
C10N2sing1.37Å1.40Å
N2C11sing1.46Å1.46Å
N2HN2sing0.97Å1.00Å
C11C18sing1.53Å1.56Å
C11C23sing1.54Å1.55Å
C11H11sing1.09Å1.10Å
N3C12sing1.38Å1.37ÅAromatic
N3HN3sing0.97Å1.00Å
C12C13sing1.41Å1.39ÅAromatic
C12C14doub1.39Å1.41ÅAromatic
C13N4sing1.36Å1.37ÅAromatic
C13C17doub1.40Å1.40ÅAromatic
C14C15sing1.38Å1.40ÅAromatic
C14H14sing1.08Å1.08Å
C15C16doub1.39Å1.40ÅAromatic
C15H15sing1.08Å1.08Å
C16C17sing1.38Å1.41ÅAromatic
C16H16sing1.08Å1.08Å
C17H17sing1.08Å1.08Å
C18N5sing1.46Å1.53Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
N5C19sing1.46Å1.52Å
N5C21sing1.46Å1.53Å
C19C20sing1.53Å1.54Å
C19H191sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C20C23sing1.54Å1.55Å
C20H201sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C21C22sing1.53Å1.53Å
C21H211sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
C22C23sing1.53Å1.54Å
C22H221sing1.09Å1.10Å
C22H222sing1.09Å1.10Å
C23H23sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6117.2°120.0°
C2C1C10123.2°121.0°
C1C2C3121.5°119.7°
C1C2H2119.3°120.2°
C6C1C10119.5°119.1°
C1C6C5121.6°119.4°
C1C6N1119.6°120.0°
C1C10C8119.2°118.1°
C1C10N2120.1°120.9°
C3C2H2119.2°120.1°
C2C3CL119.3°119.9°
C2C3C4120.6°120.3°
CLC3C4120.1°119.8°
C3C4C5119.4°120.7°
C3C4H4120.3°119.7°
C5C4H4120.3°119.7°
C4C5C6119.7°119.9°
C4C5H5120.1°120.0°
C6C5H5120.1°120.0°
C5C6N1118.9°120.6°
C6N1C7123.5°121.6°
C6N1HN1118.2°119.2°
C7N1HN1118.2°119.2°
N1C7O1120.6°119.2°
N1C7C8117.5°121.6°
O1C7C8121.8°119.2°
C7C8C9120.7°120.2°
C7C8C10120.6°119.7°
C9C8C10118.7°120.2°
C8C9N3129.2°125.1°
C8C9N4121.1°125.2°
C8C10N2120.7°121.0°
N3C9N4109.7°109.7°
C9N3C12106.4°107.2°
C9N3HN3126.8°126.4°
C9N4C13108.7°109.6°
C10N2C11132.1°120.0°
C10N2HN2102.5°119.9°
C11N2HN2102.5°120.0°
N2C11C18109.6°109.6°
N2C11C23110.7°109.6°
N2C11H11108.3°109.6°
C18C11C23109.0°108.9°
C18C11H11110.1°109.6°
C11C18N5109.4°111.3°
C11C18H181109.5°109.1°
C11C18H182109.5°109.1°
C23C11H11109.0°109.5°
C11C23C20108.0°107.8°
C11C23C22110.0°108.0°
C11C23H23109.5°110.9°
C12N3HN3126.8°126.4°
N3C12C13110.8°106.3°
N3C12C14129.7°133.8°
C13C12C14119.5°119.9°
C12C13N4104.4°107.2°
C12C13C17123.0°119.5°
C12C14C15118.7°119.9°
C12C14H14120.6°120.1°
N4C13C17132.6°133.3°
C13C17C16116.7°119.8°
C13C17H17121.6°120.1°
C15C14H14120.7°120.0°
C14C15C16120.6°120.4°
C14C15H15119.7°119.8°
C16C15H15119.7°119.7°
C15C16C17121.5°120.5°
C15C16H16119.3°119.8°
C17C16H16119.3°119.7°
C16C17H17121.7°120.1°
N5C18H181109.5°109.1°
N5C18H182109.5°109.1°
C18N5C19109.9°109.8°
C18N5C21110.7°109.7°
H181C18H182109.4°109.1°
C19N5C21109.9°109.9°
N5C19C20108.6°111.3°
N5C19H191110.0°109.1°
N5C19H192109.8°109.1°
N5C21C22108.9°111.3°
N5C21H211109.8°109.2°
N5C21H212109.6°109.1°
C20C19H191110.0°109.1°
C20C19H192109.8°109.1°
C19C20C23110.7°108.8°
C19C20H201108.8°109.6°
C19C20H202109.1°109.5°
H191C19H192108.8°109.0°
C23C20H201108.8°109.6°
C23C20H202109.1°109.6°
C20C23C22107.8°108.0°
C20C23H23111.7°110.7°
H201C20H202110.4°109.7°
C22C21H211109.8°109.1°
C22C21H212109.7°109.1°
C21C22C23110.6°108.7°
C21C22H221108.9°109.7°
C21C22H222109.1°109.4°
H211C21H212109.1°109.0°
C23C22H221108.8°109.6°
C23C22H222109.1°109.6°
C22C23H23109.7°111.3°
H221C22H222110.3°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6C10179.6°179.8°
C1C2C3H2180.0°179.7°
C1C2C3CL179.7°179.8°
C1C2C3C40.2°0.5°
C2C1C6C50.3°0.2°
C2C1C6N1179.2°179.8°
C2C1C10C8179.2°179.8°
C2C1C10N21.8°0.2°
C6C1C2C30.1°0.5°
C6C1C2H2179.9°179.8°
C1C6C5C40.1°0.0°
C1C6C5N1179.4°180.0°
C1C6C5H5179.9°180.0°
C1C6N1C70.2°0.1°
C1C6N1HN1179.8°180.0°
C6C1C10C80.4°0.0°
C6C1C10N2178.6°180.0°
C10C1C2C3179.7°179.7°
C10C1C2H20.3°0.0°
C10C1C6C5179.9°180.0°
C10C1C6N10.5°0.0°
C1C10C8C70.2°0.0°
C1C10C8C9179.3°179.9°
C1C10C8N2179.0°180.0°
C1C10N2C1149.8°59.5°
C1C10N2HN270.2°120.5°
C2C3CLC4179.9°179.7°
C2C3C4C50.4°0.3°
C2C3C4H4179.6°179.7°
H2C2C3CL0.3°0.1°
H2C2C3C4179.8°179.8°
CLC3C4C5179.5°180.0°
CLC3C4H40.5°0.0°
C3C4C5H4180.0°180.0°
C3C4C5C60.2°0.0°
C3C4C5H5179.7°180.0°
C4C5C6H5180.0°180.0°
C4C5C6N1179.4°180.0°
H4C4C5C6179.7°180.0°
H4C4C5H50.3°0.0°
C5C6N1C7179.3°179.9°
C5C6N1HN10.7°0.0°
H5C5C6N10.6°0.0°
C6N1C7HN1180.0°179.9°
C6N1C7O1179.9°180.0°
C6N1C7C80.8°0.1°
N1C7O1C8179.2°180.0°
N1C7C8C9179.9°180.0°
N1C7C8C100.8°0.0°
HN1N1C7O10.1°0.1°
HN1N1C7C8179.2°180.0°
O1C7C8C90.9°0.1°
O1C7C8C10179.9°180.0°
C7C8C9C10179.1°179.9°
C7C8C9N3180.0°32.6°
C7C8C9N41.0°147.7°
C7C8C10N2179.2°180.0°
C8C9N3N4179.1°179.8°
C9C8C10N21.7°0.1°
C8C9N3C12179.5°180.0°
C8C9N3HN30.5°0.0°
C8C9N4C13179.5°179.8°
C10C8C9N31.0°147.5°
C10C8C9N4180.0°32.3°
C8C10N2C11129.2°120.5°
C8C10N2HN2110.8°59.5°
C9N3C12HN3180.0°180.0°
C9N3C12C130.4°0.0°
C9N3C12C14180.0°180.0°
N3C9N4C130.4°0.4°
N4C9N3C120.4°0.2°
N4C9N3HN3179.6°179.7°
C9N4C13C120.1°0.4°
C9N4C13C17179.7°179.9°
C10N2C11HN2120.0°180.0°
C10N2C11C18101.1°87.7°
C10N2C11C23138.7°152.9°
C10N2C11H1119.2°32.6°
N2C11C18C23121.3°119.9°
N2C11C18H11119.1°120.3°
N2C11C23H11119.1°120.3°
N2C11C18N5121.9°119.8°
N2C11C18H181118.1°0.6°
N2C11C18H1821.9°119.7°
N2C11C23C20179.9°61.7°
N2C11C23C2262.7°178.1°
N2C11C23H2358.0°59.7°
HN2N2C11C18138.9°92.3°
HN2N2C11C2318.7°27.2°
HN2N2C11H11100.8°147.4°
C18C11C23H11120.2°119.8°
C11C18N5H181120.0°120.4°
C11C18N5H182120.0°120.5°
C11C18H181H182120.1°119.1°
C11C18N5C1961.0°60.4°
C11C18N5C2160.6°60.5°
C18C11C23C2059.5°58.2°
C18C11C23C2258.0°58.2°
C18C11C23H23178.7°179.6°
C23C11C18N50.6°0.1°
C23C11C18H181120.6°120.5°
C23C11C18H182119.4°120.4°
C11C23C20C1960.1°58.1°
C11C23C20C22118.9°116.5°
C11C23C20H23120.5°121.5°
C11C23C20H20159.4°61.7°
C11C23C20H202179.9°177.8°
C11C23C22C2158.7°58.1°
C11C23C22H23120.5°122.0°
C11C23C22H221178.3°61.8°
C11C23C22H22261.3°177.7°
H11C11C18N5119.0°119.9°
H11C11C18H1811.1°119.7°
H11C11C18H182121.1°0.6°
H11C11C23C2060.7°178.0°
H11C11C23C22178.2°61.6°
H11C11C23H2361.1°60.6°
N3C12C13C14179.7°180.0°
N3C12C13N40.1°0.2°
N3C12C13C17180.0°180.0°
N3C12C14C15179.8°180.0°
N3C12C14H140.2°0.1°
HN3N3C12C13179.7°180.0°
HN3N3C12C140.0°0.0°
C12C13N4C17179.8°179.7°
C13C12C14C150.2°0.0°
C13C12C14H14179.8°180.0°
C12C13C17C160.3°0.0°
C12C13C17H17179.8°180.0°
C14C12C13N4179.8°179.7°
C14C12C13C170.3°0.0°
C12C14C15H14180.0°180.0°
C12C14C15C160.1°0.0°
C12C14C15H15179.9°180.0°
N4C13C17C16179.9°179.7°
N4C13C17H170.1°0.3°
C13C17C16C150.2°0.0°
C13C17C16H17180.0°180.0°
C13C17C16H16179.8°180.0°
C14C15C16H15180.0°180.0°
C14C15C16C170.1°0.0°
C14C15C16H16179.9°180.0°
H14C14C15C16179.9°179.9°
H14C14C15H150.1°0.0°
C15C16C17H16180.0°180.0°
C15C16C17H17179.9°180.0°
H15C15C16C17179.9°180.0°
H15C15C16H160.1°0.0°
H16C16C17H170.1°0.0°
N5C18H181H182120.0°119.1°
C18N5C19C21122.1°120.8°
C18N5C19C2061.0°60.6°
C18N5C19H19159.3°59.9°
C18N5C19H192179.0°178.9°
C18N5C21C2260.5°60.5°
C18N5C21H211179.3°178.9°
C18N5C21H21259.5°59.9°
H181C18N5C1959.0°60.0°
H181C18N5C21179.4°179.1°
H182C18N5C19179.0°179.1°
H182C18N5C2159.4°60.0°
N5C19C20H191120.3°120.5°
N5C19C20H192120.0°120.5°
N5C19H191H192120.2°119.1°
N5C19C20C230.1°0.2°
N5C19C20H201119.4°120.0°
N5C19C20H202120.1°119.6°
C19N5C21C2261.1°60.3°
C19N5C21H21159.1°60.2°
C19N5C21H212178.9°179.3°
C21N5C19C2061.1°60.2°
C21N5C19H191178.6°179.3°
C21N5C19H19258.9°60.3°
N5C21C22H211120.2°120.6°
N5C21C22H212120.0°120.4°
N5C21H211H212120.1°119.0°
N5C21C22C230.4°0.1°
N5C21C22H221119.2°119.9°
N5C21C22H222120.3°119.6°
C20C19H191H192120.2°119.1°
C19C20C23H201119.5°119.8°
C19C20C23H202120.0°119.7°
C19C20H201H202119.6°120.3°
C19C20C23C2258.8°58.4°
C19C20C23H23179.4°179.6°
H191C19C20C23120.5°120.3°
H191C19C20H2011.0°0.5°
H191C19C20H202119.5°119.9°
H192C19C20C23119.8°120.7°
H192C19C20H201120.7°119.5°
H192C19C20H2020.1°0.9°
C23C20H201H202119.7°120.4°
C20C23C22C2158.9°58.2°
C20C23C22H23121.9°121.7°
C20C23C22H22160.7°178.2°
C20C23C22H222178.9°61.3°
H201C20C23C22178.2°178.2°
H201C20C23H2361.1°59.8°
H202C20C23C2261.2°61.3°
H202C20C23H2359.4°60.7°
C22C21H211H212120.2°119.0°
C21C22C23H221119.6°119.9°
C21C22C23H222120.0°119.6°
C21C22H221H222119.7°120.3°
C21C22C23H23179.3°179.9°
H211C21C22C23120.6°120.7°
H211C21C22H2211.0°119.5°
H211C21C22H222119.4°1.0°
H212C21C22C23119.6°120.3°
H212C21C22H221120.8°0.4°
H212C21C22H2220.4°120.0°
C23C22H221H222119.7°120.5°
H221C22C23H2361.2°60.2°
H222C22C23H2359.3°60.3°

226262

PDB entries from 2024-10-16

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