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A1AL5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CNsing1.46Å1.46Å
NC1sing1.35Å1.33Å
OC1doub1.22Å1.22Å
C1C2sing1.47Å1.49Å
C2C3doub1.36Å1.37ÅAromatic
C3C4sing1.41Å1.43ÅAromatic
C4C5doub1.41Å1.42ÅAromatic
C5N1sing1.38Å1.35Å
N1C6sing1.46Å1.46Å
C6C7sing1.51Å1.52Å
C7C8doub1.38Å1.39ÅAromatic
C8C9sing1.38Å1.38ÅAromatic
C9C10doub1.39Å1.39ÅAromatic
C10C11sing1.38Å1.40ÅAromatic
C12C11doub1.39Å1.39ÅAromatic
C7C12sing1.38Å1.39ÅAromatic
C11Ssing1.77Å1.75Å
O1Sdoub1.42Å1.44Å
SO2doub1.42Å1.44Å
C13Ssing1.82Å1.76Å
C14C13sing1.54Å1.52Å
C15C14sing1.52Å1.52Å
C10C15sing1.50Å1.51Å
C16C6sing1.53Å1.54Å
C17C16sing1.53Å1.53Å
C18C16sing1.53Å1.54Å
N2C5sing1.33Å1.35ÅAromatic
C19N2doub1.32Å1.34ÅAromatic
N3C19sing1.32Å1.34ÅAromatic
C20N3doub1.33Å1.35ÅAromatic
C4C20sing1.41Å1.40ÅAromatic
N4C20sing1.37Å1.38ÅAromatic
C2N4sing1.38Å1.39ÅAromatic
N1H7sing0.97Å1.00Å
C6Hsing1.09Å1.10Å
C8H8sing1.08Å1.08Å
C13H12sing1.09Å1.10Å
C13H11sing1.09Å1.10Å
C15H15sing1.09Å1.10Å
C15H16sing1.09Å1.10Å
C17H19sing1.09Å1.10Å
C17H20sing1.09Å1.10Å
C17H18sing1.09Å1.10Å
C14H13sing1.09Å1.10Å
C14H14sing1.09Å1.10Å
C9H9sing1.08Å1.08Å
C12H10sing1.08Å1.08Å
C16H17sing1.09Å1.10Å
C18H21sing1.09Å1.10Å
C18H23sing1.09Å1.10Å
C18H22sing1.09Å1.10Å
C19H24sing1.08Å1.08Å
C3H6sing1.08Å1.08Å
N4H1sing0.97Å1.00Å
NH5sing0.97Å1.00Å
CH4sing1.09Å1.10Å
CH2sing1.09Å1.10Å
CH3sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CNC1122.2°120.0°
CNH5118.9°120.0°
NCH4109.5°109.5°
NCH2109.5°109.5°
NCH3109.5°109.5°
NC1O123.1°120.0°
NC1C2116.2°120.0°
C1NH5118.9°120.0°
OC1C2120.7°120.0°
C1C2C3130.1°125.5°
C1C2N4120.5°125.5°
C2C3C4106.9°107.6°
C3C2N4109.3°109.0°
C2C3H6126.6°126.2°
C3C4C5137.4°134.4°
C3C4C20107.0°107.2°
C4C3H6126.6°126.2°
C4C5N1120.7°120.9°
C4C5N2119.9°118.3°
C5C4C20115.5°118.4°
C5N1C6125.7°120.0°
N1C5N2119.1°120.8°
C5N1H7105.3°119.9°
N1C6C7112.6°109.5°
N1C6C16108.3°109.5°
C6N1H7105.3°120.1°
N1C6H108.1°109.5°
C6C7C8120.5°120.3°
C6C7C12121.4°120.3°
C7C6C16113.0°109.5°
C7C6H107.4°109.5°
C7C8C9121.1°119.9°
C8C7C12118.1°119.4°
C7C8H8119.4°120.1°
C8C9C10121.7°121.0°
C9C8H8119.4°120.0°
C8C9H9119.1°119.5°
C9C10C11116.8°118.8°
C9C10C15119.2°116.5°
C10C9H9119.2°119.5°
C10C11C12121.6°120.2°
C10C11S122.4°121.9°
C11C10C15124.0°124.7°
C11C12C7120.6°120.7°
C12C11S115.9°117.9°
C11C12H10119.7°119.7°
C7C12H10119.7°119.7°
C11SO1107.4°104.5°
C11SO2108.7°104.4°
C11SC13103.7°103.7°
O1SO2117.2°121.1°
O1SC13110.2°110.7°
O2SC13108.8°110.7°
SC13C14110.6°107.0°
SC13H12109.2°109.9°
SC13H11109.2°109.9°
C13C14C15110.5°109.1°
C14C13H12109.2°110.0°
C14C13H11109.2°110.1°
C13C14H13109.2°109.5°
C13C14H14109.2°109.5°
C14C15C10112.4°113.9°
C14C15H15108.7°108.6°
C14C15H16108.7°108.6°
C15C14H13109.2°109.5°
C15C14H14109.2°109.5°
C10C15H15108.7°108.6°
C10C15H16108.7°108.6°
C6C16C17112.2°109.5°
C6C16C18111.0°109.5°
C16C6H107.1°109.5°
C6C16H17107.8°109.5°
C17C16C18109.7°109.4°
C16C17H19109.5°109.5°
C16C17H20109.5°109.5°
C16C17H18109.5°109.4°
C17C16H17108.0°109.4°
C18C16H17108.0°109.5°
C16C18H21109.5°109.5°
C16C18H23109.5°109.4°
C16C18H22109.5°109.5°
C5N2C19117.5°121.2°
N2C19N3128.8°122.7°
N2C19H24115.6°118.6°
C19N3C20112.4°120.8°
N3C19H24115.6°118.7°
N3C20C4125.7°118.7°
N3C20N4126.2°134.0°
C4C20N4108.1°107.3°
C20N4C2108.7°108.9°
C20N4H1125.7°125.5°
C2N4H1125.7°125.6°
H12C13H11109.5°109.9°
H15C15H16109.5°108.4°
H19C17H20109.4°109.5°
H19C17H18109.5°109.4°
H20C17H18109.5°109.5°
H13C14H14109.5°109.7°
H21C18H23109.4°109.5°
H21C18H22109.5°109.5°
H23C18H22109.5°109.5°
H4CH2109.4°109.5°
H4CH3109.5°109.4°
H2CH3109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CNC1H5180.0°180.0°
CNC1O9.6°0.0°
CNC1C2170.5°180.0°
NCH4H2120.0°120.1°
NCH4H3120.0°120.0°
NCH2H3120.0°120.0°
NC1OC2179.9°180.0°
NC1C2C3168.3°180.0°
NC1C2N47.2°0.0°
C1NCH4180.0°60.0°
C1NCH260.0°180.0°
C1NCH360.0°60.0°
OC1C2C311.8°0.0°
OC1C2N4172.8°179.9°
OC1NH5170.4°180.0°
C1C2C3N4175.9°180.0°
C1C2C3C4175.4°180.0°
C1C2N4C20174.7°180.0°
C1C2C3H64.6°0.0°
C1C2N4H15.2°0.1°
C2C1NH59.5°0.0°
C2C3C4H6180.0°180.0°
C2C3C4C5178.1°179.9°
C2C3C4C200.7°0.0°
C3C2N4C201.6°0.0°
C3C2N4H1178.4°180.0°
C3C4C5C20178.8°179.9°
C3C4C5N17.5°0.2°
C3C4C5N2178.4°180.0°
C3C4C20N3179.2°180.0°
C3C4C20N41.7°0.1°
C4C3C2N40.5°0.0°
C4C5N1N2174.1°179.8°
C4C5N1C6172.1°180.0°
C4C5N2C190.7°0.1°
C5C4C20N31.6°0.1°
C5C4C20N4177.4°180.0°
C4C5N1H765.7°0.2°
C5C4C3H61.9°0.1°
C5N1C6H7122.2°179.8°
C5N1C6C792.6°155.2°
C5N1C6C16141.7°84.8°
N1C5N2C19173.5°179.9°
N1C5C4C20173.7°180.0°
C5N1C6H25.9°35.2°
N1C6C7C16123.2°120.0°
N1C6C7H118.9°120.0°
N1C6C7C8119.3°39.9°
N1C6C7C1258.3°139.7°
N1C6C16H116.4°120.0°
N1C6C16C17176.7°180.0°
N1C6C16C1860.2°60.0°
C6N1C5N213.8°0.1°
N1C6C16H1757.9°60.0°
C6C7C8C12177.7°179.6°
C6C7C8C9178.7°179.8°
C6C7C12C11176.7°179.9°
C7C6C16H118.1°120.0°
C7C6C16C1751.2°60.0°
C7C6C16C18174.3°180.0°
C7C6N1H7145.2°25.0°
C6C7C8H81.3°0.2°
C6C7C12H103.2°0.1°
C7C6C16H1767.6°60.0°
C7C8C9H8180.0°180.0°
C7C8C9C101.5°0.0°
C8C7C12C110.9°0.3°
C8C7C6C16117.5°80.1°
C8C7C6H0.4°160.0°
C7C8C9H9178.5°179.9°
C8C7C12H10179.1°179.7°
C8C9C10H9180.0°179.9°
C8C9C10C110.0°0.9°
C9C8C7C121.0°0.6°
C8C9C10C15178.3°179.2°
C9C10C11C15178.2°179.9°
C9C10C11C121.9°1.2°
C9C10C11S174.5°178.7°
C9C10C15C14153.7°156.2°
C10C9C8H8178.5°180.0°
C9C10C15H1585.9°82.7°
C9C10C15H1633.3°35.0°
C10C11C12S176.6°179.9°
C10C11C12C72.4°0.6°
C10C11SO1102.7°127.9°
C10C11SO2129.5°104.0°
C10C11SC1313.9°11.9°
C11C10C15C1428.1°23.7°
C11C10C15H1592.3°97.4°
C11C10C15H16148.5°144.9°
C11C10C9H9180.0°179.2°
C10C11C12H10177.6°179.4°
C11C12C7H10180.0°180.0°
C12C11SO173.8°52.2°
C12C11SO253.9°75.9°
C12C11SC13169.5°168.2°
C12C11C10C15176.3°179.0°
C7C12C11S174.2°179.3°
C12C7C6C1664.8°100.3°
C12C7C6H177.2°19.7°
C12C7C8H8179.0°179.4°
C11SO1O2122.7°117.1°
C11SO1C13112.3°111.0°
C11SO2C13112.3°110.9°
C11SC13C1443.0°44.9°
SC11C10C157.3°1.1°
C11SC13H1277.2°164.3°
C11SC13H11163.2°74.6°
SC11C12H105.8°0.7°
O1SO2C13125.8°131.9°
O1SC13C1471.7°156.5°
O1SC13H12168.2°84.2°
O1SC13H1148.5°37.0°
O2SC13C14158.6°66.4°
O2SC13H1238.4°52.9°
O2SC13H1181.2°174.1°
SC13C14H12120.1°119.3°
SC13C14H11120.2°119.4°
SC13C14C1569.0°71.5°
SC13H12H11119.5°121.2°
SC13C14H13170.8°48.3°
SC13C14H1451.2°168.6°
C13C14C15H13120.1°119.9°
C13C14C15H14120.2°119.9°
C13C14C15C1059.7°61.3°
C14C13H12H11119.5°121.3°
C13C14C15H1560.8°59.8°
C13C14C15H16179.9°177.6°
C13C14H13H14119.5°120.2°
C14C15C10H15120.4°121.1°
C14C15C10H16120.4°121.2°
C15C14C13H1251.1°169.1°
C15C14C13H11170.8°47.9°
C14C15H15H16118.7°117.8°
C15C14H13H14119.5°120.2°
C10C15H15H16118.7°117.9°
C10C15C14H13179.8°58.6°
C10C15C14H1460.5°178.9°
C15C10C9H91.7°0.7°
C6C16C17C18123.8°120.0°
C6C16C17H17118.7°120.0°
C6C16C18H17118.0°120.1°
C16C6N1H719.5°95.0°
C6C16C17H19180.0°60.0°
C6C16C17H2060.0°180.0°
C6C16C17H1860.0°60.0°
C6C16C18H21180.0°60.0°
C6C16C18H2360.0°60.0°
C6C16C18H2260.0°180.0°
C17C16C18H17117.4°119.9°
C17C16C6H66.9°60.0°
C16C17H19H20120.0°120.1°
C16C17H19H18120.0°120.0°
C16C17H20H18120.0°120.0°
C17C16C18H2155.5°60.0°
C17C16C18H2364.5°180.0°
C17C16C18H22175.5°60.0°
C18C16C6H56.2°60.0°
C18C16C17H1956.2°60.0°
C18C16C17H20176.2°60.0°
C18C16C17H1863.8°180.0°
C16C18H21H23120.0°120.0°
C16C18H21H22120.0°120.0°
C16C18H23H22120.0°120.0°
C5N2C19N31.0°0.0°
N2C5C4C200.3°0.1°
N2C5N1H7108.4°179.6°
C5N2C19H24179.0°179.9°
N2C19N3H24180.0°179.9°
N2C19N3C202.7°0.0°
C19N3C20C42.9°0.0°
C19N3C20N4176.0°180.0°
N3C20C4N4179.1°179.9°
N3C20N4C2178.9°180.0°
C20N3C19H24177.3°179.9°
N3C20N4H11.1°0.1°
C4C20N4C22.0°0.1°
C20C4C3H6179.3°180.0°
C4C20N4H1178.0°180.0°
C20N4C2H1180.0°179.9°
N4C2C3H6179.5°180.0°
H7N1C6H96.3°145.0°
HC6C16H17174.3°180.0°
H8C8C9H91.5°0.0°
H12C13C14H1369.0°71.0°
H12C13C14H14171.3°49.3°
H11C13C14H1350.6°167.7°
H11C13C14H1469.1°72.0°
H15C15C14H1359.4°179.7°
H15C15C14H14179.1°60.0°
H16C15C14H1359.8°62.6°
H16C15C14H1459.9°57.7°
H19C17H20H18120.0°120.0°
H19C17C16H1761.3°180.0°
H20C17C16H1758.7°59.9°
H18C17C16H17178.7°60.1°
H17C16C18H2162.0°179.9°
H17C16C18H23178.0°60.0°
H17C16C18H2258.0°59.9°
H21C18H23H22120.0°120.0°
H5NCH40.0°120.0°
H5NCH2120.0°0.0°
H5NCH3120.0°120.0°
H4CH2H3120.0°119.9°

221716

PDB entries from 2024-06-26

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