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A1BN3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1sing1.53Å1.51Å
C1Nsing1.47Å1.47Å
C2Nsing1.47Å1.47Å
C3C2sing1.53Å1.53Å
C3C4sing1.53Å1.50Å
C4C5sing1.53Å1.50Å
C5C3sing1.53Å1.50Å
NC6sing1.35Å1.36Å
OC6doub1.22Å1.22Å
C6C7sing1.48Å1.50Å
C7C8doub1.40Å1.39ÅAromatic
C8C9sing1.38Å1.38ÅAromatic
C9C10doub1.38Å1.38ÅAromatic
C10C11sing1.38Å1.39ÅAromatic
C11C12sing1.51Å1.51Å
C12C13sing1.51Å1.52Å
O1C13doub1.21Å1.22Å
C13N1sing1.35Å1.35Å
N1C14sing1.47Å1.47Å
C14C15sing1.53Å1.53Å
C15C16sing1.53Å1.53Å
C16C17sing1.53Å1.53Å
C17C18sing1.51Å1.52Å
N2C18sing1.35Å1.32Å
C18O2doub1.21Å1.24Å
C19C17sing1.53Å1.53Å
N1C19sing1.47Å1.47Å
C20C11doub1.38Å1.39ÅAromatic
C7C20sing1.40Å1.39ÅAromatic
C4H10sing1.09Å1.10Å
C4H9sing1.09Å1.10Å
C5H12sing1.09Å1.10Å
C5H11sing1.09Å1.10Å
C8H13sing1.08Å1.08Å
C10H15sing1.08Å1.08Å
C15H20sing1.09Å1.10Å
C15H21sing1.09Å1.10Å
C17Hsing1.09Å1.10Å
C20H28sing1.08Å1.08Å
N2H25sing0.97Å1.00Å
N2H24sing0.97Å1.00Å
C16H22sing1.09Å1.10Å
C16H23sing1.09Å1.10Å
C14H18sing1.09Å1.10Å
C14H19sing1.09Å1.10Å
C19H26sing1.09Å1.10Å
C19H27sing1.09Å1.10Å
C12H16sing1.09Å1.10Å
C12H17sing1.09Å1.10Å
C9H14sing1.08Å1.08Å
C1H5sing1.09Å1.10Å
C1H4sing1.09Å1.10Å
CH2sing1.09Å1.10Å
CH1sing1.09Å1.10Å
CH3sing1.09Å1.10Å
C2H6sing1.09Å1.10Å
C2H7sing1.09Å1.10Å
C3H8sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CC1N112.3°109.5°
CC1H5108.8°109.5°
CC1H4108.8°109.5°
C1CH2109.5°109.4°
C1CH1109.5°109.5°
C1CH3109.4°109.5°
C1NC2114.5°120.0°
C1NC6119.1°120.0°
NC1H5108.8°109.4°
NC1H4108.8°109.5°
NC2C3110.9°109.5°
C2NC6126.3°120.0°
NC2H6109.1°109.5°
NC2H7109.1°109.4°
C2C3C4119.8°117.5°
C2C3C5120.6°117.5°
C3C2H6109.1°109.5°
C3C2H7109.1°109.5°
C2C3H8114.9°115.6°
C3C4C560.0°60.0°
C4C3C559.9°60.0°
C3C4H10120.0°117.5°
C3C4H9120.0°117.5°
C4C3H8115.4°117.5°
C4C5C360.1°60.0°
C5C4H10120.0°117.5°
C5C4H9120.0°117.5°
C4C5H12120.0°117.5°
C4C5H11120.0°117.5°
C3C5H12120.0°117.4°
C3C5H11120.0°117.5°
C5C3H8115.4°117.5°
NC6O122.0°120.0°
NC6C7119.6°120.0°
OC6C7118.3°120.0°
C6C7C8122.6°120.2°
C6C7C20118.1°120.2°
C7C8C9120.2°119.9°
C8C7C20119.2°119.7°
C7C8H13119.9°120.0°
C8C9C10120.2°120.2°
C9C8H13119.9°120.1°
C8C9H14119.9°119.9°
C9C10C11120.7°120.3°
C9C10H15119.6°119.9°
C10C9H14119.9°119.9°
C10C11C12120.8°120.0°
C10C11C20118.8°120.1°
C11C10H15119.6°119.8°
C11C12C13113.0°109.5°
C12C11C20120.4°119.9°
C11C12H16108.6°109.5°
C11C12H17108.6°109.5°
C12C13O1121.1°120.0°
C12C13N1116.9°120.0°
C13C12H16108.6°109.5°
C13C12H17108.6°109.5°
O1C13N1122.0°120.0°
C13N1C14125.3°120.6°
C13N1C19120.2°120.7°
N1C14C15111.6°108.8°
C14N1C19114.5°118.7°
N1C14H18108.9°109.6°
N1C14H19108.9°109.6°
C14C15C16111.2°109.3°
C14C15H20109.0°109.5°
C14C15H21109.1°109.6°
C15C14H18108.9°109.6°
C15C14H19108.9°109.6°
C15C16C17110.6°109.6°
C16C15H20109.0°109.5°
C16C15H21109.0°109.5°
C15C16H22109.2°109.5°
C15C16H23109.2°109.4°
C16C17C18112.3°109.5°
C16C17C19108.5°109.3°
C16C17H107.4°109.6°
C17C16H22109.2°109.5°
C17C16H23109.2°109.4°
C17C18N2115.5°120.0°
C17C18O2121.2°120.0°
C18C17C19113.2°109.5°
C18C17H107.6°109.5°
N2C18O2123.3°120.0°
C18N2H25120.0°120.0°
C18N2H24120.0°120.0°
C17C19N1109.0°108.8°
C19C17H107.5°109.5°
C17C19H26109.6°109.6°
C17C19H27109.6°109.6°
N1C19H26109.6°109.6°
N1C19H27109.6°109.6°
C11C20C7120.9°119.9°
C11C20H28119.5°120.1°
C7C20H28119.5°120.0°
H10C4H9109.5°115.6°
H12C5H11109.5°115.6°
H20C15H21109.5°109.5°
H25N2H24120.0°119.9°
H22C16H23109.4°109.4°
H18C14H19109.5°109.6°
H26C19H27109.4°109.7°
H16C12H17109.4°109.5°
H5C1H4109.5°109.4°
H2CH1109.5°109.5°
H2CH3109.4°109.5°
H1CH3109.5°109.5°
H6C2H7109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CC1NH5120.4°120.0°
CC1NH4120.4°120.0°
CC1NC299.8°82.4°
CC1NC683.2°97.5°
CC1H5H4118.7°120.1°
C1CH2H1120.0°120.0°
C1CH2H3120.0°120.0°
C1CH1H3119.9°120.0°
C1NC2C6176.7°179.9°
C1NC2C384.4°90.1°
C1NC6O5.4°174.2°
C1NC6C7177.8°5.8°
NC1H5H4118.7°119.9°
NC1CH2180.0°170.6°
NC1CH160.0°50.6°
NC1CH360.0°69.4°
C1NC2H635.8°30.0°
C1NC2H7155.4°150.0°
NC2C3H6120.2°120.0°
NC2C3H7120.2°120.0°
NC2C3C4135.5°116.4°
NC2C3C5153.9°175.0°
C2NC6O171.1°5.7°
C2NC6C75.6°174.3°
C2NC1H5139.7°37.6°
C2NC1H420.6°157.5°
NC2H6H7119.3°120.0°
NC2C3H88.5°29.3°
C2C3C4C5110.3°107.5°
C2C3C4H8143.8°145.0°
C2C3C5H8145.2°145.0°
C3C2NC692.3°90.0°
C2C3C4H100.8°145.0°
C2C3C4H9140.3°0.0°
C2C3C5H120.5°0.0°
C2C3C5H11141.6°145.0°
C3C2H6H7119.3°120.0°
C3C4C5H10109.5°107.5°
C3C4C5H9109.4°107.5°
C4C3C5H8105.9°107.5°
C3C4H10H9144.7°145.7°
C4C3C5H12109.5°107.5°
C4C3C5H11109.5°107.5°
C4C3C2H6104.2°123.6°
C4C3C2H715.3°3.6°
C5C4H10H9144.8°145.7°
C4C5H12H11144.7°145.7°
C3C5H12H11144.7°145.7°
C5C3C2H633.6°55.0°
C5C3C2H785.9°65.0°
NC6OC7176.8°180.0°
NC6C7C832.8°134.4°
NC6C7C20150.7°45.8°
C6NC1H537.2°142.4°
C6NC1H4156.3°22.5°
C6NC2H6147.5°150.0°
C6NC2H727.9°30.0°
OC6C7C8150.3°45.6°
OC6C7C2026.2°134.2°
C6C7C8C20176.5°179.8°
C6C7C8C9176.8°180.0°
C6C7C20C11176.3°180.0°
C6C7C8H133.2°0.1°
C6C7C20H283.7°0.0°
C7C8C9H13180.0°179.9°
C7C8C9C100.9°0.0°
C8C7C20C110.3°0.3°
C8C7C20H28179.6°179.7°
C7C8C9H14179.1°180.0°
C8C9C10H14180.0°180.0°
C8C9C10C110.8°0.3°
C9C8C7C200.3°0.3°
C8C9C10H15179.2°180.0°
C9C10C11H15180.0°179.7°
C9C10C11C12178.6°180.0°
C9C10C11C200.2°0.3°
C10C9C8H13179.1°179.9°
C10C11C12C20178.7°179.7°
C10C11C12C13124.0°90.0°
C10C11C20C70.4°0.0°
C10C11C20H28179.6°180.0°
C10C11C12H16115.5°29.9°
C10C11C12H173.4°150.0°
C11C10C9H14179.2°179.7°
C11C12C13H16120.5°120.0°
C11C12C13H17120.5°120.0°
C11C12C13O145.6°0.0°
C11C12C13N1134.6°180.0°
C12C11C20C7179.2°179.7°
C12C11C10H151.4°0.3°
C12C11C20H280.8°0.3°
C11C12H16H17118.3°120.0°
C12C13O1N1179.9°180.0°
C12C13N1C149.7°0.0°
C12C13N1C19169.3°179.7°
C13C12C11C2057.3°90.3°
C13C12H16H17118.4°120.0°
O1C13N1C14170.4°179.9°
O1C13N1C1910.6°0.3°
O1C13C12H16166.1°119.9°
O1C13C12H1775.0°120.0°
C13N1C14C19179.1°179.7°
C13N1C14C15125.5°126.1°
C13N1C19C17119.6°126.1°
C13N1C14H18114.2°114.1°
C13N1C14H195.2°6.3°
C13N1C19H26120.5°6.3°
C13N1C19H270.3°114.1°
N1C13C12H1614.0°60.0°
N1C13C12H17104.9°60.0°
N1C14C15H18120.3°119.8°
N1C14C15H19120.3°119.8°
N1C14C15C1649.3°54.6°
C14N1C19C1759.6°53.6°
N1C14C15H20169.6°65.3°
N1C14C15H2171.0°174.6°
N1C14H18H19119.0°120.3°
C14N1C19H2660.4°173.4°
C14N1C19H27179.5°66.2°
C14C15C16H20120.3°119.9°
C14C15C16H21120.3°120.0°
C14C15C16C1753.6°61.4°
C15C14N1C1953.6°53.6°
C14C15H20H21119.2°120.2°
C14C15C16H2266.6°58.7°
C14C15C16H23173.7°178.6°
C15C14H18H19119.0°120.3°
C15C16C17H22120.2°120.1°
C15C16C17H23120.2°120.0°
C15C16C17C18174.8°178.7°
C15C16C17C1959.3°61.4°
C16C15H20H21119.2°120.0°
C15C16C17H56.6°58.5°
C15C16H22H23119.5°120.0°
C16C15C14H1871.0°65.2°
C16C15C14H19169.6°174.5°
C16C17C18C19123.3°119.8°
C16C17C18H118.0°120.2°
C16C17C18N2112.6°179.9°
C16C17C18O268.9°0.1°
C16C17C19H115.9°120.0°
C16C17C19N160.9°54.6°
C17C16C15H20173.8°58.6°
C17C16C15H2166.7°178.6°
C17C16H22H23119.5°119.9°
C16C17C19H2659.0°174.4°
C16C17C19H27179.2°65.2°
C17C18N2O2178.5°180.0°
C18C17C19H118.7°120.0°
C18C17C19N1173.7°174.6°
C17C18N2H25178.5°0.1°
C17C18N2H241.5°180.0°
C18C17C16H2265.0°61.2°
C18C17C16H2354.6°58.7°
C18C17C19H2666.4°65.6°
C18C17C19H2753.8°54.8°
N2C18C17C19124.1°60.1°
N2C18C17H5.5°59.9°
C18N2H25H24180.0°179.9°
O2C18C17C1954.4°119.9°
O2C18C17H173.1°120.1°
O2C18N2H250.0°179.9°
O2C18N2H24180.0°0.0°
C17C19N1H26120.0°119.8°
C17C19N1H27119.9°119.8°
C19C17C16H2260.9°58.7°
C19C17C16H23179.5°178.6°
C17C19H26H27120.2°120.4°
N1C19C17H55.0°65.3°
C19N1C14H1866.7°66.2°
C19N1C14H19173.9°173.4°
N1C19H26H27120.2°120.3°
C11C20C7H28180.0°180.0°
C20C11C10H15179.8°180.0°
C20C11C12H1663.2°149.8°
C20C11C12H17177.9°29.7°
C20C7C8H13179.7°179.8°
H10C4C5H120.0°145.0°
H10C4C5H11141.0°0.0°
H10C4C3H8144.6°0.0°
H9C4C5H12141.1°0.0°
H9C4C5H110.0°145.0°
H9C4C3H83.6°145.0°
H12C5C3H8144.7°145.0°
H11C5C3H83.6°0.0°
H13C8C9H140.9°0.1°
H15C10C9H140.8°0.0°
H20C15C16H2253.7°178.6°
H20C15C16H2366.0°61.4°
H20C15C14H1849.2°174.9°
H20C15C14H1970.1°54.5°
H21C15C16H22173.1°61.3°
H21C15C16H2353.5°58.6°
H21C15C14H18168.7°54.7°
H21C15C14H1949.3°65.6°
HC17C16H22176.8°178.6°
HC17C16H2363.5°61.5°
HC17C19H26174.9°54.5°
HC17C19H2765.0°174.9°
H5C1CH259.6°69.4°
H5C1CH160.5°170.6°
H5C1CH3179.6°50.5°
H4C1CH259.5°50.6°
H4C1CH1179.6°69.4°
H4C1CH360.4°170.6°
H2CH1H3120.0°120.0°
H6C2C3H8111.8°90.7°
H7C2C3H8128.7°149.3°

248636

PDB entries from 2026-02-04

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