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A1ALQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CNsing1.46Å1.46Å
NN1sing1.40Å1.36ÅAromatic
N1C1doub1.31Å1.32ÅAromatic
C1C2sing1.41Å1.41ÅAromatic
C3C2sing1.48Å1.46Å
C3C4doub1.36Å1.38ÅAromatic
C4C5sing1.46Å1.44ÅAromatic
C5C6doub1.41Å1.42ÅAromatic
N2C6sing1.38Å1.36Å
C7N2sing1.47Å1.46Å
C8C7sing1.51Å1.52Å
C8C9doub1.38Å1.38ÅAromatic
C9C10sing1.39Å1.39ÅAromatic
C10C11doub1.39Å1.39ÅAromatic
C11C12sing1.39Å1.40ÅAromatic
C12N3doub1.32Å1.32ÅAromatic
N3C8sing1.32Å1.35ÅAromatic
OC12sing1.36Å1.36Å
C13Osing1.43Å1.45Å
C14C13sing1.53Å1.53Å
O1C14sing1.43Å1.43Å
C11O1sing1.36Å1.38Å
C15C7sing1.53Å1.56Å
C16C15sing1.53Å1.53Å
C17C15sing1.53Å1.53Å
C18C15sing1.53Å1.54Å
C6N4sing1.33Å1.36ÅAromatic
N4C19doub1.32Å1.35ÅAromatic
C19N5sing1.32Å1.33ÅAromatic
N5C20doub1.33Å1.35ÅAromatic
C5C20sing1.41Å1.40ÅAromatic
C20N6sing1.37Å1.37ÅAromatic
N6C3sing1.38Å1.39ÅAromatic
C2C21doub1.40Å1.39ÅAromatic
NC21sing1.37Å1.37ÅAromatic
C21C22sing1.43Å1.42Å
C22N7trip1.14Å1.15Å
C4H6sing1.08Å1.08Å
C7Hsing1.09Å1.10Å
C10H9sing1.08Å1.08Å
C13H11sing1.09Å1.10Å
C13H10sing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C17H18sing1.09Å1.10Å
C17H19sing1.09Å1.10Å
CH3sing1.09Å1.10Å
CH4sing1.09Å1.10Å
CH2sing1.09Å1.10Å
C1H5sing1.08Å1.08Å
N6H1sing0.97Å1.00Å
C19H23sing1.08Å1.08Å
N2H7sing0.97Å1.00Å
C18H21sing1.09Å1.10Å
C18H22sing1.09Å1.10Å
C18H20sing1.09Å1.10Å
C16H14sing1.09Å1.10Å
C16H16sing1.09Å1.10Å
C16H15sing1.09Å1.10Å
C14H12sing1.09Å1.10Å
C14H13sing1.09Å1.10Å
C9H8sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CNN1119.6°126.0°
CNC21128.9°126.0°
NCH3109.5°109.4°
NCH4109.5°109.4°
NCH2109.5°109.5°
NN1C1105.3°109.2°
N1NC21111.5°108.0°
N1C1C2112.0°108.8°
N1C1H5124.0°125.6°
C1C2C3128.2°126.4°
C1C2C21104.6°107.2°
C2C1H5124.0°125.7°
C2C3C4129.9°125.3°
C2C3N6120.7°125.3°
C3C2C21127.1°126.4°
C3C4C5106.8°106.8°
C4C3N6109.2°109.4°
C3C4H6126.6°126.6°
C4C5C6137.2°134.9°
C4C5C20107.0°106.5°
C5C4H6126.6°126.7°
C5C6N2120.3°120.8°
C5C6N4119.8°118.4°
C6C5C20115.7°118.6°
C6N2C7125.0°120.0°
N2C6N4119.9°120.8°
C6N2H7105.5°120.0°
N2C7C8110.6°109.5°
N2C7C15112.1°109.5°
N2C7H106.6°109.5°
C7N2H7105.5°120.0°
C7C8C9120.7°119.5°
C7C8N3117.4°119.5°
C8C7C15115.3°109.5°
C8C7H106.0°109.5°
C8C9C10119.5°119.2°
C9C8N3121.8°121.0°
C8C9H8120.2°120.4°
C9C10C11118.9°118.4°
C9C10H9120.5°120.8°
C10C9H8120.3°120.4°
C10C11C12117.6°119.3°
C10C11O1119.5°119.6°
C11C10H9120.6°120.8°
C11C12N3123.9°120.2°
C11C12O120.9°120.5°
C12C11O1122.9°121.1°
C12N3C8118.2°121.9°
N3C12O115.3°119.3°
C12OC13115.5°116.7°
OC13C14109.6°108.3°
OC13H11109.5°109.7°
OC13H10109.4°109.7°
C13C14O1109.6°108.2°
C14C13H11109.4°109.7°
C14C13H10109.4°109.7°
C13C14H12109.4°109.7°
C13C14H13109.4°109.7°
C14O1C11113.7°116.6°
O1C14H12109.4°109.7°
O1C14H13109.4°109.7°
C7C15C16108.6°109.5°
C7C15C17109.6°109.4°
C7C15C18111.4°109.4°
C15C7H105.6°109.4°
C16C15C17108.9°109.5°
C16C15C18108.5°109.5°
C15C16H14109.5°109.5°
C15C16H16109.5°109.5°
C15C16H15109.5°109.5°
C17C15C18109.8°109.5°
C15C17H17109.5°109.4°
C15C17H18109.5°109.4°
C15C17H19109.5°109.5°
C15C18H21109.5°109.4°
C15C18H22109.5°109.4°
C15C18H20109.5°109.5°
C6N4C19117.3°121.0°
N4C19N5128.8°122.8°
N4C19H23115.6°118.7°
C19N5C20112.8°120.7°
N5C19H23115.6°118.6°
N5C20C5125.6°118.5°
N5C20N6126.2°134.0°
C5C20N6108.2°107.4°
C20N6C3108.9°109.9°
C20N6H1125.5°125.0°
C3N6H1125.6°125.1°
C2C21N106.6°106.8°
C2C21C22131.6°126.6°
NC21C22121.8°126.6°
C21C22N7177.5°180.0°
H11C13H10109.5°109.7°
H17C17H18109.5°109.5°
H17C17H19109.5°109.5°
H18C17H19109.5°109.5°
H3CH4109.5°109.5°
H3CH2109.4°109.5°
H4CH2109.5°109.5°
H21C18H22109.5°109.4°
H21C18H20109.5°109.5°
H22C18H20109.5°109.5°
H14C16H16109.5°109.5°
H14C16H15109.5°109.4°
H16C16H15109.4°109.5°
H12C14H13109.5°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CNN1C21179.0°180.0°
CNN1C1180.0°180.0°
CNC21C2178.6°180.0°
CNC21C224.7°0.1°
NCH3H4120.0°120.0°
NCH3H2120.0°120.0°
NCH4H2120.0°120.0°
NN1C1C21.9°0.0°
N1NC21C20.2°0.0°
N1NC21C22176.5°180.0°
N1NCH30.0°90.0°
N1NCH4120.0°150.0°
N1NCH2120.0°30.0°
NN1C1H5178.1°180.0°
N1C1C2H5180.0°180.0°
N1C1C2C3177.1°180.0°
N1C1C2C212.1°0.0°
C1N1NC211.0°0.0°
C1C2C3C21179.0°180.0°
C1C2C3C4172.2°40.0°
C1C2C3N61.4°140.5°
C1C2C21N1.3°0.0°
C1C2C21C22174.9°180.0°
C2C3C4N6174.2°179.5°
C2C3C4C5173.5°179.9°
C2C3N6C20173.7°180.0°
C3C2C21N177.8°180.0°
C3C2C21C225.9°0.0°
C2C3C4H66.5°0.3°
C3C2C1H52.9°0.0°
C2C3N6H16.4°0.3°
C3C4C5H6180.0°179.8°
C3C4C5C6179.3°179.7°
C3C4C5C200.1°0.2°
C4C3N6C201.1°0.5°
C4C3C2C216.8°140.0°
C4C3N6H1178.9°179.8°
C4C5C6C20179.1°179.9°
C4C5C6N22.6°0.1°
C4C5C6N4179.8°179.9°
C4C5C20N5178.9°180.0°
C4C5C20N60.8°0.0°
C5C4C3N60.6°0.4°
C5C6N2N4177.5°180.0°
C5C6N2C7179.4°180.0°
C5C6N4C190.7°0.0°
C6C5C20N51.7°0.1°
C6C5C20N6179.8°180.0°
C6C5C4H60.8°0.1°
C5C6N2H757.4°0.0°
C6N2C7H7122.1°179.9°
C6N2C7C8117.8°139.1°
C6N2C7C15112.0°100.9°
N2C6N4C19176.8°179.9°
N2C6C5C20178.2°180.0°
C6N2C7H3.0°19.1°
N2C7C8C15128.5°120.0°
N2C7C8H115.2°120.0°
N2C7C8C9126.8°155.7°
N2C7C8N350.4°24.3°
N2C7C15H115.7°120.0°
N2C7C15C1661.1°57.4°
N2C7C15C17179.9°62.6°
N2C7C15C1858.2°177.4°
C7N2C6N43.0°0.0°
C7C8C9N3177.1°180.0°
C7C8C9C10179.8°179.9°
C7C8N3C12179.7°180.0°
C8C7C15H116.6°120.0°
C8C7C15C16171.1°177.4°
C8C7C15C1752.2°57.4°
C8C7C15C1869.5°62.6°
C8C7N2H7120.1°41.0°
C7C8C9H80.2°0.0°
C8C9C10H8180.0°180.0°
C8C9C10C112.0°0.0°
C9C8N3C122.5°0.0°
C9C8C7C15104.7°84.3°
C9C8C7H11.7°35.7°
C8C9C10H9178.1°180.0°
C9C10C11H9180.0°180.0°
C9C10C11C121.2°0.1°
C10C9C8N32.7°0.1°
C9C10C11O1178.6°179.7°
C10C11C12O1179.8°179.7°
C10C11C12N31.1°0.1°
C10C11C12O177.3°179.7°
C10C11O1C14163.9°163.1°
C11C10C9H8178.0°180.0°
C11C12N3O178.5°179.8°
C11C12N3C81.8°0.1°
C11C12OC1312.6°17.6°
C12C11O1C1415.9°17.2°
C12C11C10H9178.8°179.9°
N3C12OC13166.0°162.6°
N3C12C11O1178.6°179.6°
C8N3C12O176.8°179.7°
N3C8C7C1578.1°95.7°
N3C8C7H165.5°144.3°
N3C8C9H8177.3°180.0°
C12OC13C1443.2°46.5°
OC12C11O12.9°0.6°
C12OC13H1176.8°166.2°
C12OC13H10163.2°73.2°
OC13C14H11120.1°119.7°
OC13C14H10120.0°119.7°
OC13C14O160.7°59.8°
OC13H11H10119.9°120.5°
OC13C14H12179.3°59.9°
OC13C14H1359.4°179.4°
C13C14O1H12120.0°119.7°
C13C14O1H13120.0°119.7°
C13C14O1C1146.3°46.0°
C14C13H11H10119.9°120.6°
C13C14H12H13119.9°120.6°
O1C14C13H1159.4°179.5°
O1C14C13H10179.3°60.0°
O1C14H12H13119.9°120.6°
O1C11C10H91.4°0.3°
C11O1C14H12166.3°73.7°
C11O1C14H1373.7°165.7°
C7C15C16C17119.4°120.0°
C7C15C16C18121.2°120.0°
C7C15C17C18122.7°120.0°
C7C15C17H17180.0°60.0°
C7C15C17H1860.0°180.0°
C7C15C17H1960.0°60.0°
C15C7N2H710.1°79.1°
C7C15C18H21180.0°53.6°
C7C15C18H2260.0°173.5°
C7C15C18H2060.0°66.5°
C7C15C16H14180.0°60.0°
C7C15C16H1660.0°180.0°
C7C15C16H1560.0°60.0°
C16C15C17C18118.6°120.0°
C16C15C7H54.5°62.6°
C16C15C17H1761.3°180.0°
C16C15C17H18178.7°60.0°
C16C15C17H1958.7°60.0°
C16C15C18H2160.6°66.4°
C16C15C18H2259.4°53.5°
C16C15C18H20179.4°173.5°
C15C16H14H16120.0°120.0°
C15C16H14H15120.0°120.0°
C15C16H16H15120.0°120.0°
C17C15C7H64.4°177.4°
C15C17H17H18120.0°119.9°
C15C17H17H19120.0°120.0°
C15C17H18H19120.0°120.0°
C17C15C18H2158.3°173.6°
C17C15C18H22178.3°66.5°
C17C15C18H2061.6°53.5°
C17C15C16H1460.6°60.0°
C17C15C16H1659.4°60.0°
C17C15C16H15179.3°180.0°
C18C15C7H173.9°57.4°
C18C15C17H1757.3°59.9°
C18C15C17H1862.7°60.0°
C18C15C17H19177.3°180.0°
C15C18H21H22120.0°119.9°
C15C18H21H20120.0°120.1°
C15C18H22H20120.0°120.0°
C18C15C16H1458.8°180.0°
C18C15C16H16178.8°60.0°
C18C15C16H1561.2°60.0°
C6N4C19N51.5°0.1°
N4C6C5C200.7°0.0°
C6N4C19H23178.5°180.0°
N4C6N2H7125.1°179.9°
N4C19N5H23180.0°179.9°
N4C19N5C200.6°0.0°
C19N5C20C51.1°0.1°
C19N5C20N6178.9°180.0°
N5C20C5N6178.1°179.9°
N5C20N6C3179.3°179.8°
N5C20N6H10.7°0.0°
C20N5C19H23179.4°180.0°
C5C20N6C31.2°0.3°
C20C5C4H6180.0°180.0°
C5C20N6H1178.8°179.9°
C20N6C3H1180.0°179.8°
N6C3C2C21179.6°39.5°
N6C3C4H6179.3°179.8°
C2C21NC22176.7°179.9°
C2C21C22N726.6°105.0°
C21C2C1H5177.9°180.0°
NC21C22N7157.6°75.1°
C21NCH3178.8°89.9°
C21NCH461.2°30.0°
C21NCH258.8°150.1°
HC7N2H7125.1°161.0°
H9C10C9H82.0°0.0°
H11C13C14H1260.6°59.8°
H11C13C14H13179.4°60.9°
H10C13C14H1259.3°179.6°
H10C13C14H1360.6°59.7°
H17C17H18H19120.0°120.1°
H3CH4H2120.0°120.0°
H21C18H22H20120.0°120.1°
H14C16H16H15120.0°120.0°

222036

PDB entries from 2024-07-03

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