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A1LZE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1S1sing1.81Å1.76Å
S1O1doub1.42Å1.40Å
S1N1sing1.66Å1.63Å
N1C2sing1.47Å1.44Å
C2C3sing1.53Å1.52Å
C3N2sing1.47Å1.49Å
N2C4sing1.47Å1.47Å
C4C5sing1.54Å1.52Å
N1C5sing1.47Å1.48Å
N2C6sing1.47Å1.48Å
C6C7sing1.51Å1.51Å
C7O2sing1.35Å1.37ÅAromatic
O2C8sing1.34Å1.38ÅAromatic
C8C9doub1.40Å1.36ÅAromatic
C9C10sing1.46Å1.43ÅAromatic
C7C10doub1.34Å1.35ÅAromatic
C9C11sing1.41Å1.46Å
C11O3doub1.22Å1.24Å
C11N3sing1.35Å1.39Å
N3C12sing1.36Å1.36Å
C12C13doub1.36Å1.40Å
C8C13sing1.42Å1.38Å
C13C14sing1.48Å1.45Å
N3C15sing1.47Å1.47Å
C3C16sing1.53Å1.53Å
S1O4doub1.42Å1.44Å
C17C18doub1.35Å1.36ÅAromatic
C18N4sing1.35Å1.37ÅAromatic
N4N5sing1.40Å1.36ÅAromatic
C14C17sing1.41Å1.43ÅAromatic
C14N5doub1.32Å1.33ÅAromatic
N4C19sing1.47Å1.44Å
C1H3sing1.09Å1.10Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C2H5sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C3H6sing1.09Å1.10Å
C4H7sing1.09Å1.10Å
C4H8sing1.09Å1.10Å
C5H10sing1.09Å1.10Å
C5H9sing1.09Å1.10Å
C6H11sing1.09Å1.10Å
C6H12sing1.09Å1.10Å
C10H13sing1.08Å1.08Å
C12H14sing1.08Å1.08Å
C15H16sing1.09Å1.10Å
C15H17sing1.09Å1.10Å
C15H15sing1.09Å1.10Å
C16H19sing1.09Å1.10Å
C16H20sing1.09Å1.10Å
C16H18sing1.09Å1.10Å
C17H21sing1.08Å1.08Å
C18H22sing1.08Å1.08Å
C19H25sing1.09Å1.10Å
C19H23sing1.09Å1.10Å
C19H24sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1S1O1109.4°110.5°
C1S1N1108.0°104.5°
C1S1O4107.5°110.5°
S1C1H3109.5°109.5°
S1C1H1109.4°109.5°
S1C1H2109.5°109.5°
O1S1N1105.2°104.3°
O1S1O4118.1°121.0°
S1N1C2118.7°120.9°
S1N1C5116.3°120.9°
N1S1O4108.1°104.3°
N1C2C3111.8°108.5°
C2N1C5111.6°118.2°
N1C2H5108.9°109.6°
N1C2H4108.9°109.6°
C2C3N2109.6°109.4°
C2C3C16110.8°109.5°
C3C2H5108.9°109.6°
C3C2H4108.9°109.7°
C2C3H6107.6°109.5°
C3N2C4111.3°111.2°
C3N2C6114.7°111.0°
N2C3C16113.2°109.5°
N2C3H6108.0°109.5°
N2C4C5113.5°109.3°
C4N2C6109.9°111.0°
N2C4H7108.4°109.4°
N2C4H8108.4°109.4°
C4C5N1108.0°108.3°
C5C4H7108.5°109.7°
C5C4H8108.5°109.5°
C4C5H10109.8°109.8°
C4C5H9109.9°109.7°
N1C5H10109.9°109.6°
N1C5H9109.8°109.6°
N2C6C7114.3°109.4°
N2C6H11108.3°109.5°
N2C6H12108.3°109.5°
C6C7O2115.8°125.1°
C6C7C10132.4°125.1°
C7C6H11108.3°109.5°
C7C6H12108.3°109.5°
C7O2C8106.5°110.9°
O2C7C10111.6°109.8°
O2C8C9108.8°107.6°
O2C8C13125.6°133.9°
C8C9C10108.1°105.6°
C8C9C11120.1°119.6°
C9C8C13125.5°118.5°
C9C10C7105.0°106.1°
C10C9C11131.8°134.8°
C9C10H13127.5°127.0°
C7C10H13127.5°126.9°
C9C11O3124.6°120.2°
C9C11N3113.2°119.7°
O3C11N3122.3°120.1°
C11N3C12125.1°121.3°
C11N3C15116.1°119.3°
N3C12C13121.5°121.4°
C12N3C15118.7°119.4°
N3C12H14119.3°119.3°
C12C13C8114.6°119.6°
C12C13C14120.1°120.2°
C13C12H14119.3°119.3°
C8C13C14125.2°120.3°
C13C14C17128.5°126.1°
C13C14N5121.8°126.1°
N3C15H16109.5°109.5°
N3C15H17109.5°109.5°
N3C15H15109.5°109.4°
C16C3H6107.5°109.5°
C3C16H19109.5°109.5°
C3C16H20109.5°109.4°
C3C16H18109.5°109.5°
C17C18N4106.2°108.0°
C18C17C14106.4°107.9°
C18C17H21126.8°126.1°
C17C18H22126.9°126.1°
C18N4N5111.4°108.1°
C18N4C19125.8°125.9°
N4C18H22126.9°126.0°
N4N5C14106.2°108.1°
N5N4C19122.6°125.9°
C17C14N5109.7°107.9°
C14C17H21126.8°126.0°
N4C19H25109.5°109.5°
N4C19H23109.5°109.4°
N4C19H24109.5°109.4°
H3C1H1109.5°109.5°
H3C1H2109.5°109.5°
H1C1H2109.5°109.4°
H5C2H4109.5°109.8°
H7C4H8109.5°109.5°
H10C5H9109.5°109.9°
H11C6H12109.4°109.5°
H16C15H17109.5°109.5°
H16C15H15109.5°109.5°
H17C15H15109.4°109.5°
H19C16H20109.5°109.5°
H19C16H18109.4°109.5°
H20C16H18109.4°109.5°
H25C19H23109.5°109.5°
H25C19H24109.5°109.5°
H23C19H24109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1S1O1N1115.9°111.8°
C1S1O1O4123.4°131.5°
C1S1N1O4116.1°116.1°
C1S1N1C269.3°90.0°
C1S1N1C568.4°90.3°
S1C1H3H1120.0°120.0°
S1C1H3H2120.0°120.0°
S1C1H1H2120.0°120.0°
O1S1N1O4127.1°127.8°
O1S1N1C247.5°153.9°
O1S1N1C5174.7°25.8°
O1S1C1H3180.0°68.4°
O1S1C1H160.0°171.6°
O1S1C1H260.0°51.7°
S1N1C2C5139.6°179.8°
S1N1C2C3159.8°128.8°
S1N1C5C4161.7°128.7°
N1S1C1H366.0°180.0°
N1S1C1H154.0°60.0°
N1S1C1H2174.0°60.0°
S1N1C2H539.5°9.1°
S1N1C2H479.9°111.5°
S1N1C5H1042.0°111.5°
S1N1C5H978.5°9.1°
N1C2C3H5120.3°119.7°
N1C2C3H4120.4°119.7°
N1C2C3N256.7°53.9°
C2N1C5C457.6°51.5°
N1C2C3C16177.7°173.8°
C2N1S1O4174.6°26.1°
N1C2H5H4119.0°120.5°
N1C2C3H660.5°66.2°
C2N1C5H10177.4°68.2°
C2N1C5H962.1°171.1°
C2C3N2C16124.3°119.9°
C2C3N2H6116.9°120.0°
C2C3N2C452.6°63.1°
C3C2N1C560.6°51.5°
C2C3N2C6178.2°172.8°
C2C3C16H6117.3°120.1°
C3C2H5H4118.9°120.5°
C2C3C16H19180.0°67.4°
C2C3C16H2060.0°172.7°
C2C3C16H1860.0°52.7°
C3N2C4C6128.2°124.1°
C3N2C4C554.0°63.2°
C3N2C6C761.0°165.6°
N2C3C16H6119.1°120.1°
N2C3C2H5177.0°173.6°
N2C3C2H463.7°65.9°
C3N2C4H766.6°56.9°
C3N2C4H8174.6°176.9°
C3N2C6H1159.7°74.4°
C3N2C6H12178.3°45.6°
N2C3C16H1956.4°52.5°
N2C3C16H20176.4°67.5°
N2C3C16H1863.6°172.5°
N2C4C5H7120.6°120.0°
N2C4C5H8120.6°119.8°
N2C4C5N154.9°54.1°
C4N2C6C765.3°70.1°
C4N2C3C16176.9°177.0°
C4N2C3H664.3°56.9°
N2C4H7H8118.1°120.0°
N2C4C5H10174.7°65.6°
N2C4C5H964.9°173.7°
C4N2C6H11174.0°49.8°
C4N2C6H1255.4°169.9°
C4C5N1H10119.8°119.8°
C4C5N1H9119.8°119.6°
C5C4N2C6177.8°172.6°
C5C4H7H8118.2°120.2°
C4C5H10H9120.7°120.7°
C5N1S1O447.6°153.6°
C5N1C2H5179.0°171.1°
C5N1C2H459.7°68.3°
N1C5C4H765.7°65.9°
N1C5C4H8175.5°173.9°
N1C5H10H9120.7°120.5°
N2C6C7H11120.7°120.0°
N2C6C7H12120.7°120.0°
N2C6C7O286.3°90.0°
N2C6C7C1088.8°89.7°
C6N2C3C1657.5°52.8°
C6N2C3H661.3°67.2°
C6N2C4H761.6°67.2°
C6N2C4H857.2°52.8°
N2C6H11H12117.8°120.0°
C6C7O2C10176.1°179.8°
C6C7O2C8174.9°180.0°
C6C7C10C9175.1°179.9°
C7C6H11H12117.8°120.0°
C6C7C10H134.9°0.0°
C7O2C8C91.9°0.1°
O2C7C10C90.1°0.4°
C7O2C8C13179.6°180.0°
O2C7C6H1134.4°150.0°
O2C7C6H12153.0°30.0°
O2C7C10H13179.9°179.8°
O2C8C9C13177.7°179.9°
O2C8C9C101.8°0.3°
C8O2C7C101.2°0.2°
O2C8C9C11179.6°180.0°
O2C8C13C12178.9°180.0°
O2C8C13C144.9°0.0°
C8C9C10C11178.3°179.7°
C8C9C10C71.1°0.4°
C8C9C11O3177.8°180.0°
C8C9C11N32.0°0.0°
C9C8C13C121.6°0.1°
C9C8C13C14177.8°179.9°
C8C9C10H13178.9°179.7°
C9C10C7H13180.0°179.9°
C10C9C11O30.4°0.4°
C10C9C11N3179.8°179.7°
C10C9C8C13179.6°179.8°
C7C10C9C11179.4°179.9°
C10C7C6H11150.5°30.3°
C10C7C6H1232.0°150.3°
C9C11O3N3179.8°180.0°
C9C11N3C122.3°0.0°
C11C9C8C131.9°0.1°
C9C11N3C15179.3°180.0°
C11C9C10H130.5°0.1°
O3C11N3C12177.5°180.0°
O3C11N3C150.5°0.0°
C11N3C12C15176.9°180.0°
C11N3C12C132.3°0.0°
C11N3C12H14177.6°180.0°
C11N3C15H16180.0°0.0°
C11N3C15H1760.0°120.0°
C11N3C15H1560.0°120.1°
N3C12C13H14180.0°180.0°
N3C12C13C81.7°0.0°
N3C12C13C14178.1°180.0°
C12N3C15H162.9°180.0°
C12N3C15H17122.9°60.0°
C12N3C15H15117.2°60.0°
C12C13C8C14176.2°180.0°
C13C12N3C15179.2°180.0°
C12C13C14C17162.5°0.0°
C12C13C14N519.3°179.7°
C8C13C14C1713.5°180.0°
C8C13C14N5164.7°0.3°
C8C13C12H14178.3°180.0°
C13C14C17C18179.4°180.0°
C13C14N5N4178.6°179.9°
C13C14C17N5178.4°179.8°
C14C13C12H141.9°0.0°
C13C14C17H210.6°0.0°
C15N3C12H140.7°0.0°
N3C15H16H17120.0°120.0°
N3C15H16H15120.0°120.0°
N3C15H17H15120.0°119.9°
C16C3C2H557.3°66.5°
C16C3C2H461.9°54.1°
C3C16H19H20120.0°120.0°
C3C16H19H18120.0°120.1°
C3C16H20H18120.0°120.0°
O4S1C1H350.5°68.4°
O4S1C1H1170.5°51.7°
O4S1C1H269.5°171.6°
C17C18N4H22180.0°179.9°
C17C18N4N53.5°0.3°
C18C17C14H21180.0°179.9°
C18C17C14N52.2°0.2°
C17C18N4C19178.5°180.0°
C18N4N5C19175.2°179.7°
N4C18C17C143.3°0.1°
C18N4N5C142.1°0.4°
N4C18C17H21176.6°180.0°
C18N4C19H25174.5°90.0°
C18N4C19H2354.5°150.0°
C18N4C19H2465.5°30.1°
N4N5C14C170.1°0.4°
N5N4C18H22176.5°179.8°
N5N4C19H250.0°89.7°
N5N4C19H23120.0°30.3°
N5N4C19H24120.0°150.3°
C14C17C18H22176.6°180.0°
C14N5N4C19177.3°179.9°
N5C14C17H21177.7°179.8°
C19N4C18H221.5°0.1°
N4C19H25H23120.0°120.0°
N4C19H25H24120.0°120.0°
N4C19H23H24120.0°120.0°
H3C1H1H2120.0°120.0°
H5C2C3H659.9°53.5°
H4C2C3H6179.2°174.1°
H6C3C16H1962.7°172.6°
H6C3C16H2057.3°52.6°
H6C3C16H18177.3°67.4°
H7C4C5H1054.1°174.5°
H7C4C5H9174.5°53.7°
H8C4C5H1064.7°54.3°
H8C4C5H955.7°66.5°
H16C15H17H15120.0°120.0°
H19C16H20H18119.9°120.0°
H21C17C18H223.4°0.0°
H25C19H23H24120.0°120.1°

251174

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