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A1CH2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1N1sing1.46Å1.45Å
N1N2sing1.40Å1.36Å
N1C21sing1.35Å1.35Å
N2C2doub1.31Å1.35Å
O3C21doub1.22Å1.24Å
C21N5sing1.35Å1.37Å
C2N5sing1.38Å1.39Å
C2C3sing1.41Å1.37Å
N5C20sing1.37Å1.38Å
C3C4doub1.36Å1.38Å
C20C19doub1.34Å1.35Å
C4C19sing1.42Å1.39Å
C4N3sing1.39Å1.43Å
N3C5sing1.47Å1.47Å
N3C18sing1.40Å1.41Å
C5C6sing1.54Å1.52Å
C17C18doub1.39Å1.40ÅAromatic
C17C16sing1.38Å1.39ÅAromatic
C18C7sing1.40Å1.38ÅAromatic
C16C9doub1.40Å1.39ÅAromatic
C6O1sing1.43Å1.44Å
C7O1sing1.36Å1.38Å
C7C8doub1.38Å1.38ÅAromatic
C9C8sing1.40Å1.40ÅAromatic
C9C10sing1.48Å1.50Å
O2C10doub1.22Å1.23Å
C10N4sing1.35Å1.35Å
N4C11sing1.47Å1.48Å
N4C15sing1.47Å1.47Å
C11C12sing1.53Å1.52Å
C15C14sing1.53Å1.52Å
C12C13sing1.53Å1.52Å
C14C13sing1.53Å1.52Å
C13F1sing1.40Å1.36Å
C13F2sing1.40Å1.36Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C11H4sing1.09Å1.10Å
C11H5sing1.09Å1.10Å
C12H6sing1.09Å1.10Å
C12H7sing1.09Å1.10Å
C14H8sing1.09Å1.10Å
C14H9sing1.09Å1.10Å
C15H10sing1.09Å1.10Å
C15H11sing1.09Å1.10Å
C16H12sing1.08Å1.08Å
C17H13sing1.08Å1.08Å
C19H14sing1.08Å1.08Å
C20H15sing1.08Å1.08Å
C3H16sing1.08Å1.08Å
C5H17sing1.09Å1.10Å
C5H18sing1.09Å1.10Å
C6H19sing1.09Å1.10Å
C6H20sing1.09Å1.10Å
C8H21sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1N1N2119.6°126.2°
C1N1C21129.0°126.2°
N1C1H1109.5°109.5°
N1C1H2109.5°109.5°
N1C1H3109.5°109.5°
N2N1C21111.4°107.6°
N1N2C2105.4°107.9°
N1C21O3127.7°126.0°
N1C21N5107.1°108.0°
N2C2N5109.9°108.4°
N2C2C3130.5°131.9°
O3C21N5125.2°126.0°
C21N5C2106.3°108.2°
C21N5C20131.7°131.7°
N5C2C3119.6°119.6°
C2N5C20122.0°120.2°
C2C3C4117.9°119.3°
C2C3H16121.0°120.4°
N5C20C19118.1°120.8°
N5C20H15121.0°119.7°
C3C4C19121.5°119.7°
C3C4N3118.7°120.2°
C4C3H16121.1°120.4°
C20C19C4120.8°120.5°
C20C19H14119.6°119.7°
C19C20H15121.0°119.6°
C19C4N3119.6°120.2°
C4C19H14119.6°119.8°
C4N3C5122.8°121.1°
C4N3C18120.0°121.1°
C5N3C18116.9°117.7°
N3C5C6107.1°107.6°
N3C5H17110.1°109.8°
N3C5H18110.1°109.8°
N3C18C17122.7°119.9°
N3C18C7118.4°119.7°
C5C6O1114.2°108.8°
C6C5H17110.1°109.9°
C6C5H18110.0°109.8°
C5C6H19108.3°109.6°
C5C6H20108.3°109.5°
C18C17C16120.7°120.1°
C17C18C7118.9°120.4°
C18C17H13119.6°120.0°
C17C16C9120.1°119.9°
C17C16H12119.9°120.0°
C16C17H13119.7°119.9°
C18C7O1122.8°120.8°
C18C7C8120.3°119.7°
C16C9C8118.5°120.0°
C16C9C10122.0°120.0°
C9C16H12120.0°120.1°
C6O1C7117.8°117.7°
O1C6H19108.3°109.6°
O1C6H20108.3°109.6°
O1C7C8116.9°119.5°
C7C8C9121.1°119.9°
C7C8H21119.5°120.0°
C8C9C10119.2°120.0°
C9C8H21119.5°120.1°
C9C10O2116.6°120.0°
C9C10N4121.0°120.0°
O2C10N4121.7°120.0°
C10N4C11126.9°120.7°
C10N4C15120.7°120.7°
C11N4C15112.4°118.7°
N4C11C12109.6°108.8°
N4C11H4109.5°109.6°
N4C11H5109.4°109.7°
N4C15C14109.1°108.8°
N4C15H10109.6°109.5°
N4C15H11109.6°109.7°
C11C12C13110.0°109.3°
C12C11H4109.4°109.6°
C12C11H5109.4°109.6°
C11C12H6109.4°109.5°
C11C12H7109.3°109.5°
C15C14C13111.0°109.3°
C15C14H8109.1°109.5°
C15C14H9109.1°109.5°
C14C15H10109.5°109.6°
C14C15H11109.6°109.6°
C12C13C14113.6°109.5°
C12C13F1109.0°109.4°
C12C13F2108.5°109.5°
C13C12H6109.3°109.5°
C13C12H7109.3°109.5°
C14C13F1107.4°109.4°
C14C13F2107.8°109.5°
C13C14H8109.1°109.5°
C13C14H9109.1°109.4°
F1C13F2110.4°109.5°
H1C1H2109.4°109.4°
H1C1H3109.5°109.5°
H2C1H3109.5°109.5°
H4C11H5109.5°109.5°
H6C12H7109.5°109.5°
H8C14H9109.5°109.5°
H10C15H11109.5°109.6°
H17C5H18109.5°109.8°
H19C6H20109.5°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1N1N2C21179.3°180.0°
C1N1N2C2179.0°180.0°
C1N1C21O30.7°0.0°
C1N1C21N5179.1°180.0°
N1C1H1H2120.0°120.0°
N1C1H1H3120.0°120.0°
N1C1H2H3120.0°120.0°
N2N1C21O3179.9°180.0°
N2N1C21N51.6°0.0°
N1N2C2N51.1°0.0°
N1N2C2C3179.1°180.0°
N2N1C1H10.0°0.0°
N2N1C1H2120.0°120.0°
N2N1C1H3120.0°120.0°
C21N1N2C21.7°0.0°
N1C21O3N5178.1°180.0°
N1C21N5C20.9°0.0°
N1C21N5C20179.1°179.7°
C21N1C1H1179.2°180.0°
C21N1C1H259.2°60.0°
C21N1C1H360.8°60.0°
N2C2N5C210.2°0.0°
N2C2N5C3178.2°180.0°
N2C2N5C20178.3°179.7°
N2C2C3C4176.0°179.7°
N2C2C3H164.0°0.0°
O3C21N5C2179.3°180.0°
O3C21N5C202.4°0.3°
C21N5C2C20178.5°179.7°
C21N5C2C3178.4°180.0°
C21N5C20C19178.3°179.7°
C21N5C20H151.7°0.3°
N5C2C3C41.7°0.3°
C2N5C20C190.3°0.0°
C2N5C20H15179.7°180.0°
N5C2C3H16178.2°180.0°
C3C2N5C200.1°0.2°
C2C3C4H16180.0°179.7°
C2C3C4C194.1°0.0°
C2C3C4N3177.7°180.0°
N5C20C19H15180.0°179.9°
N5C20C19C42.6°0.3°
N5C20C19H14177.4°180.0°
C3C4C19C204.6°0.2°
C3C4C19N3173.6°179.9°
C3C4N3C527.4°62.7°
C3C4N3C18146.9°117.3°
C3C4C19H14175.4°180.0°
C20C19C4H14180.0°179.7°
C20C19C4N3178.2°179.7°
C19C4N3C5146.4°117.4°
C19C4N3C1839.3°62.6°
C4C19C20H15177.4°179.8°
C19C4C3H16175.9°179.7°
C4N3C5C18174.4°180.0°
C4N3C5C6135.7°137.8°
C4N3C18C1722.5°13.8°
C4N3C18C7158.8°166.0°
N3C4C19H141.8°0.1°
N3C4C3H162.3°0.4°
C4N3C5H17104.6°102.7°
C4N3C5H1816.1°18.2°
N3C5C6H17119.6°119.5°
N3C5C6H18119.6°119.5°
C5N3C18C17152.1°166.2°
C5N3C18C726.6°14.0°
N3C5C6O151.5°58.2°
N3C5H17H18121.1°120.9°
N3C5C6H19172.2°61.5°
N3C5C6H2069.2°178.0°
C18N3C5C649.8°42.2°
N3C18C17C7178.7°179.8°
N3C18C17C16178.5°179.7°
N3C18C7O11.3°0.5°
N3C18C7C8176.5°179.7°
N3C18C17H131.5°0.3°
C18N3C5H1769.8°77.3°
C18N3C5H18169.4°161.8°
C5C6O1H19120.7°119.8°
C5C6O1H20120.7°119.8°
C5C6O1C730.7°49.3°
C6C5H17H18121.1°120.9°
C5C6H19H20117.8°120.3°
C18C17C16H13180.0°180.0°
C18C17C16C92.9°0.0°
C17C18C7O1177.4°179.7°
C17C18C7C84.8°0.1°
C18C17C16H12177.1°179.7°
C16C17C18C72.8°0.1°
C17C16C9H12180.0°179.7°
C17C16C9C84.8°0.0°
C17C16C9C10179.3°179.8°
C18C7O1C64.2°20.2°
C18C7O1C8177.8°179.9°
C18C7C8C96.9°0.1°
C7C18C17H13177.2°179.9°
C18C7C8H21173.1°180.0°
C16C9C8C76.9°0.0°
C16C9C8C10174.6°179.8°
C16C9C10O255.2°138.1°
C16C9C10N4115.8°41.8°
C9C16C17H13177.1°180.0°
C16C9C8H21173.2°180.0°
C6O1C7C8173.7°160.0°
O1C6C5H1768.2°61.3°
O1C6C5H18171.1°177.8°
O1C6H19H20117.8°120.4°
O1C7C8C9175.2°179.8°
C7O1C6H19151.4°70.5°
C7O1C6H2090.0°169.0°
O1C7C8H214.8°0.2°
C7C8C9H21180.0°179.9°
C7C8C9C10178.5°179.7°
C8C9C10O2130.4°42.1°
C8C9C10N458.6°137.9°
C8C9C16H12175.2°179.7°
C9C10O2N4170.9°180.0°
C9C10N4C114.1°5.9°
C9C10N4C15174.7°174.1°
C10C9C16H120.7°0.1°
C10C9C8H211.5°0.2°
O2C10N4C11174.6°174.1°
O2C10N4C154.2°5.9°
C10N4C11C15178.9°180.0°
C10N4C11C12118.4°126.4°
C10N4C15C14119.2°126.4°
C10N4C11H41.6°113.7°
C10N4C11H5121.6°6.6°
C10N4C15H10120.9°6.7°
C10N4C15H110.7°113.7°
N4C11C12H4120.0°119.9°
N4C11C12H5120.0°119.9°
C11N4C15C1461.8°53.6°
N4C11C12C1355.0°54.7°
N4C11H4H5120.0°120.4°
N4C11C12H665.1°65.3°
N4C11C12H7175.1°174.6°
C11N4C15H1058.1°173.4°
C11N4C15H11178.3°66.3°
C15N4C11C1262.7°53.6°
N4C15C14H10119.9°119.7°
N4C15C14H11119.9°119.9°
N4C15C14C1354.3°54.7°
C15N4C11H4177.3°66.2°
C15N4C11H557.3°173.5°
N4C15C14H8174.5°65.3°
N4C15C14H965.9°174.6°
N4C15H10H11120.2°120.4°
C11C12C13H6120.1°120.0°
C11C12C13H7120.1°120.0°
C11C12C13C1450.9°61.4°
C11C12C13F168.9°58.6°
C11C12C13F2170.9°178.6°
C12C11H4H5119.9°120.3°
C11C12H6H7119.8°120.1°
C15C14C13C1250.8°61.4°
C15C14C13H8120.2°120.0°
C15C14C13H9120.2°119.9°
C15C14C13F169.9°58.6°
C15C14C13F2171.2°178.6°
C15C14H8H9119.3°120.1°
C14C15H10H11120.2°120.3°
C12C13C14F1120.7°119.9°
C12C13C14F2120.3°120.0°
C12C13F1F2119.1°120.0°
C13C12C11H4175.0°65.2°
C13C12C11H565.0°174.5°
C13C12H6H7119.8°120.0°
C12C13C14H8171.0°58.6°
C12C13C14H969.4°178.7°
C14C13F1F2117.3°120.0°
C14C13C12H669.2°58.6°
C14C13C12H7171.0°178.7°
C13C14H8H9119.3°120.0°
C13C14C15H1065.7°174.4°
C13C14C15H11174.2°65.2°
F1C13C12H6171.1°178.6°
F1C13C12H751.2°61.4°
F1C13C14H850.3°178.6°
F1C13C14H9169.9°61.3°
F2C13C12H650.8°61.4°
F2C13C12H769.1°58.7°
F2C13C14H868.6°61.4°
F2C13C14H951.0°58.7°
H1C1H2H3120.0°120.0°
H4C11C12H654.9°174.8°
H4C11C12H764.9°54.8°
H5C11C12H6174.9°54.6°
H5C11C12H755.0°65.5°
H8C14C15H1054.6°54.4°
H8C14C15H1165.6°174.8°
H9C14C15H10174.1°65.7°
H9C14C15H1154.0°54.7°
H12C16C17H132.9°0.3°
H14C19C20H152.6°0.0°
H17C5C6H1952.5°178.9°
H17C5C6H20171.1°58.5°
H18C5C6H1968.2°58.0°
H18C5C6H2050.4°62.4°

248636

PDB entries from 2026-02-04

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