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A1ALR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1sing1.53Å1.53Å
C2C1sing1.53Å1.53Å
C1C3sing1.53Å1.54Å
NC3sing1.46Å1.46Å
C4Nsing1.38Å1.35Å
C4N1doub1.33Å1.35ÅAromatic
N1C5sing1.32Å1.34ÅAromatic
C5N2doub1.32Å1.33ÅAromatic
N2C6sing1.33Å1.34ÅAromatic
C6N3sing1.37Å1.37ÅAromatic
N3C7sing1.38Å1.39ÅAromatic
C8C7sing1.48Å1.47Å
C8C9sing1.41Å1.40ÅAromatic
C9N4doub1.31Å1.33ÅAromatic
N4N5sing1.40Å1.35ÅAromatic
C10N5sing1.46Å1.46Å
N5C11sing1.35Å1.34ÅAromatic
C11C8doub1.37Å1.38ÅAromatic
C7C12doub1.36Å1.37ÅAromatic
C12C13sing1.46Å1.43ÅAromatic
C13C4sing1.40Å1.42ÅAromatic
C6C13doub1.41Å1.40ÅAromatic
C3C14sing1.51Å1.52Å
C14C15doub1.38Å1.39ÅAromatic
C15C16sing1.38Å1.38ÅAromatic
C16C17doub1.39Å1.39ÅAromatic
C17C18sing1.38Å1.40ÅAromatic
C19C18doub1.38Å1.39ÅAromatic
C14C19sing1.38Å1.39ÅAromatic
C18Ssing1.77Å1.76Å
OSdoub1.42Å1.43Å
SO1doub1.42Å1.43Å
N6Ssing1.67Å1.63Å
C20N6sing1.48Å1.46Å
C21C20sing1.52Å1.51Å
C17C21sing1.50Å1.51Å
N3H1sing0.97Å1.00Å
C5H10sing1.08Å1.08Å
C10H13sing1.09Å1.10Å
C10H14sing1.09Å1.10Å
C10H12sing1.09Å1.10Å
C15H17sing1.08Å1.08Å
C20H21sing1.09Å1.10Å
C20H22sing1.09Å1.10Å
C21H23sing1.09Å1.10Å
C21H24sing1.09Å1.10Å
N6H20sing0.97Å1.00Å
C16H18sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
C3Hsing1.09Å1.10Å
C1H5sing1.09Å1.10Å
C2H6sing1.09Å1.10Å
C2H7sing1.09Å1.10Å
C2H8sing1.09Å1.10Å
CH2sing1.09Å1.10Å
CH4sing1.09Å1.10Å
CH3sing1.09Å1.10Å
NH9sing0.97Å1.00Å
C12H16sing1.08Å1.08Å
C11H15sing1.08Å1.08Å
C9H11sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CC1C2110.7°109.5°
CC1C3111.3°109.5°
CC1H5107.7°109.5°
C1CH2109.5°109.5°
C1CH4109.5°109.5°
C1CH3109.5°109.4°
C2C1C3111.7°109.5°
C2C1H5107.7°109.5°
C1C2H6109.5°109.5°
C1C2H7109.5°109.5°
C1C2H8109.5°109.5°
C1C3N109.3°109.5°
C1C3C14112.4°109.5°
C1C3H107.1°109.5°
C3C1H5107.5°109.4°
C3NC4124.8°120.0°
NC3C14112.2°109.5°
NC3H108.2°109.4°
C3NH9105.5°120.0°
NC4N1118.9°120.8°
NC4C13120.9°120.8°
C4NH9105.5°120.0°
C4N1C5116.9°121.0°
N1C4C13120.2°118.3°
N1C5N2129.2°122.8°
N1C5H10115.4°118.6°
C5N2C6112.5°120.7°
N2C5H10115.4°118.6°
N2C6N3125.8°134.1°
N2C6C13125.8°118.5°
C6N3C7108.4°110.0°
N3C6C13108.4°107.4°
C6N3H1125.8°125.0°
N3C7C8120.6°125.3°
N3C7C12109.3°109.5°
C7N3H1125.8°125.1°
C7C8C9129.5°126.3°
C7C8C11126.3°126.2°
C8C7C12130.2°125.2°
C8C9N4112.0°108.1°
C9C8C11104.1°107.5°
C8C9H11124.0°125.9°
C9N4N5104.5°108.6°
N4C9H11124.0°126.0°
N4N5C10120.1°125.9°
N4N5C11112.3°108.2°
C10N5C11127.6°125.9°
N5C10H13109.5°109.5°
N5C10H14109.5°109.5°
N5C10H12109.4°109.5°
N5C11C8107.2°107.6°
N5C11H15126.4°126.2°
C8C11H15126.4°126.2°
C7C12C13106.8°106.7°
C7C12H16126.6°126.6°
C12C13C4137.6°134.9°
C12C13C6107.0°106.4°
C13C12H16126.6°126.6°
C4C13C6115.4°118.6°
C3C14C15121.3°120.3°
C3C14C19120.7°120.3°
C14C3H107.3°109.5°
C14C15C16121.0°120.1°
C15C14C19117.9°119.5°
C14C15H17119.5°120.0°
C15C16C17122.2°120.7°
C16C15H17119.5°119.9°
C15C16H18118.9°119.6°
C16C17C18116.6°118.7°
C16C17C21119.1°117.3°
C17C16H18118.9°119.7°
C17C18C19121.3°120.7°
C17C18S120.4°120.5°
C18C17C21124.3°124.0°
C18C19C14121.1°120.3°
C19C18S118.4°118.9°
C18C19H19119.5°119.8°
C14C19H19119.4°119.9°
C18SO108.6°106.8°
C18SO1109.7°106.8°
C18SN6104.0°104.8°
OSO1117.4°123.5°
OSN6107.2°106.8°
O1SN6109.1°106.8°
SN6C20115.1°115.4°
SN6H20108.0°122.3°
N6C20C21111.0°109.1°
N6C20H21109.1°109.5°
N6C20H22109.1°109.5°
C20N6H20108.0°122.3°
C20C21C17111.6°114.0°
C21C20H21109.1°109.5°
C21C20H22109.1°109.5°
C20C21H23108.9°108.6°
C20C21H24108.9°108.6°
C17C21H23108.9°108.5°
C17C21H24108.9°108.6°
H13C10H14109.4°109.5°
H13C10H12109.5°109.5°
H14C10H12109.5°109.4°
H21C20H22109.5°109.6°
H23C21H24109.5°108.4°
H6C2H7109.5°109.5°
H6C2H8109.4°109.4°
H7C2H8109.4°109.5°
H2CH4109.5°109.5°
H2CH3109.5°109.5°
H4CH3109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CC1C2C3124.7°120.0°
CC1C2H5117.5°120.0°
CC1C3H5117.7°120.0°
CC1C3N57.6°60.0°
CC1C3C14177.1°180.0°
CC1C3H59.4°60.0°
CC1C2H6180.0°60.1°
CC1C2H760.0°60.0°
CC1C2H860.0°180.0°
C1CH2H4120.0°120.0°
C1CH2H3120.0°120.0°
C1CH4H3120.0°120.0°
C2C1C3H5118.0°120.0°
C2C1C3N178.1°180.0°
C2C1C3C1452.8°60.0°
C2C1C3H64.9°60.0°
C1C2H6H7120.0°120.0°
C1C2H6H8120.0°119.9°
C1C2H7H8120.0°120.0°
C2C1CH2180.0°180.0°
C2C1CH460.0°60.0°
C2C1CH360.0°60.0°
C1C3NC14125.5°120.0°
C1C3NH116.3°120.0°
C1C3NC4143.6°84.9°
C1C3C14H117.6°120.0°
C1C3C14C15108.7°80.0°
C1C3C14C1974.0°100.0°
C3C1C2H655.4°60.0°
C3C1C2H764.7°180.0°
C3C1C2H8175.4°59.9°
C3C1CH255.1°60.0°
C3C1CH4175.2°180.0°
C3C1CH364.9°60.0°
C1C3NH994.4°95.0°
C3NC4H9122.1°180.0°
C3NC4N117.6°0.1°
C3NC4C13165.3°180.0°
NC3C14H118.7°120.0°
NC3C14C15127.6°40.0°
NC3C14C1949.8°140.0°
NC3C1H560.1°60.0°
NC4N1C13177.1°179.9°
NC4N1C5175.2°180.0°
NC4C13C124.1°0.0°
NC4C13C6173.9°180.0°
C4NC3C1491.0°155.0°
C4NC3H27.3°35.0°
C4N1C5N21.1°0.1°
N1C4C13C12178.9°179.9°
N1C4C13C63.2°0.0°
C4N1C5H10178.9°180.0°
N1C4NH9139.7°180.0°
N1C5N2H10180.0°180.0°
N1C5N2C62.5°0.1°
C5N1C4C132.0°0.0°
C5N2C6N3177.3°180.0°
C5N2C6C131.0°0.0°
N2C6N3C13178.5°180.0°
N2C6N3C7179.4°179.9°
N2C6C13C12179.7°179.9°
N2C6C13C41.7°0.0°
N2C6N3H10.6°0.0°
C6N2C5H10177.5°180.0°
C6N3C7H1180.0°179.9°
C6N3C7C8177.2°179.9°
C6N3C7C122.1°0.1°
N3C6C13C121.2°0.0°
N3C6C13C4179.8°180.0°
N3C7C8C12179.1°179.8°
N3C7C8C914.2°179.9°
N3C7C8C11170.5°0.4°
N3C7C12C131.3°0.1°
C7N3C6C132.0°0.1°
N3C7C12H16178.7°179.9°
C7C8C9C11176.1°179.6°
C7C8C9N4176.3°179.8°
C7C8C11N5177.3°180.0°
C8C7C12C13177.9°179.9°
C8C7N3H12.8°0.2°
C8C7C12H162.1°0.1°
C7C8C11H152.7°0.1°
C7C8C9H113.7°0.1°
C8C9N4H11180.0°179.7°
C8C9N4N50.7°0.5°
C9C8C11N51.0°0.3°
C9C8C7C12164.9°0.3°
C9C8C11H15179.0°179.8°
C9N4N5C10177.6°179.7°
C9N4N5C111.4°0.3°
N4C9C8C110.2°0.5°
N4N5C10C11178.8°180.0°
N4N5C11C81.5°0.0°
N4N5C10H130.0°90.0°
N4N5C10H14120.0°30.0°
N4N5C10H12120.0°150.0°
N4N5C11H15178.5°179.9°
N5N4C9H11179.3°179.8°
C10N5C11C8177.3°180.0°
N5C10H13H14120.0°120.0°
N5C10H13H12120.0°120.0°
N5C10H14H12120.0°120.0°
C10N5C11H152.7°0.1°
N5C11C8H15180.0°179.9°
C11N5C10H13178.7°90.0°
C11N5C10H1458.8°150.0°
C11N5C10H1261.2°30.0°
C11C8C7C1210.4°179.9°
C11C8C9H11179.8°179.8°
C7C12C13H16180.0°180.0°
C7C12C13C4178.0°179.9°
C7C12C13C60.1°0.0°
C12C7N3H1177.9°180.0°
C12C13C4C6178.0°180.0°
C13C4NH943.2°0.0°
C4C13C12H162.0°0.1°
C13C6N3H1178.0°180.0°
C6C13C12H16179.9°180.0°
C3C14C15C19177.4°180.0°
C3C14C15C16178.1°179.6°
C3C14C19C18176.8°179.4°
C3C14C15H171.9°0.5°
C3C14C19H193.2°0.3°
C14C3C1H565.2°59.9°
C14C3NH931.1°25.0°
C14C15C16H17180.0°179.8°
C14C15C16C170.8°0.2°
C15C14C19C180.6°0.6°
C14C15C16H18179.2°179.7°
C15C14C19H19179.4°179.7°
C15C14C3H8.9°160.0°
C15C16C17H18180.0°180.0°
C15C16C17C180.4°0.6°
C16C15C14C190.7°0.4°
C15C16C17C21179.8°178.5°
C16C17C18C21179.7°179.0°
C16C17C18C191.7°0.4°
C16C17C18S176.4°179.3°
C16C17C21C20160.3°155.0°
C17C16C15H17179.3°179.9°
C16C17C21H2340.0°83.9°
C16C17C21H2479.4°33.8°
C17C18C19S178.2°179.7°
C17C18C19C141.8°0.2°
C17C18SO119.8°120.0°
C17C18SO1110.7°106.1°
C17C18SN65.9°6.9°
C18C17C21C2019.9°26.0°
C18C17C21H23140.3°95.2°
C18C17C21H24100.4°147.2°
C18C17C16H18179.6°179.3°
C17C18C19H19178.1°179.3°
C18C19C14H19180.0°179.1°
C19C18SO58.5°60.3°
C19C18SO171.1°73.5°
C19C18SN6172.4°173.4°
C19C18C17C21178.6°178.6°
C14C19C18S176.4°179.9°
C19C14C15H17179.3°179.5°
C19C14C3H168.5°20.0°
C18SOO1125.1°124.1°
C18SON6111.8°111.7°
C18SO1N6113.3°111.7°
C18SN6C2041.2°39.1°
SC18C17C213.3°1.7°
C18SN6H20162.0°140.9°
SC18C19H193.7°1.0°
OSO1N6122.1°124.1°
OSN6C20156.1°152.2°
OSN6H2083.1°27.8°
O1SN6C2075.8°74.0°
O1SN6H2045.0°106.0°
SN6C20H20120.8°180.0°
SN6C20C2169.7°65.7°
SN6C20H2150.5°174.5°
SN6C20H22170.0°54.3°
N6C20C21H21120.2°119.9°
N6C20C21H22120.2°119.9°
N6C20C21C1755.5°57.0°
N6C20H21H22119.3°120.2°
N6C20C21H23175.8°64.1°
N6C20C21H2464.8°178.2°
C20C21C17H23120.3°121.2°
C20C21C17H24120.3°121.2°
C21C20H21H22119.3°120.2°
C20C21H23H24119.0°117.8°
C21C20N6H20169.4°114.3°
C17C21C20H2164.8°176.9°
C17C21C20H22175.7°62.9°
C17C21H23H24119.0°117.7°
C21C17C16H180.2°1.6°
H13C10H14H12120.0°120.0°
H17C15C16H180.7°0.1°
H21C20C21H2355.5°55.7°
H21C20C21H24174.9°62.0°
H21C20N6H2070.3°5.5°
H22C20C21H2364.0°175.9°
H22C20C21H2455.4°58.2°
H22C20N6H2049.2°125.7°
HC3C1H5177.1°180.0°
HC3NH9149.3°145.0°
H5C1C2H662.5°179.9°
H5C1C2H7177.4°60.0°
H5C1C2H857.5°60.0°
H5C1CH262.5°60.0°
H5C1CH457.5°60.0°
H5C1CH3177.5°180.0°
H6C2H7H8120.0°120.0°
H2CH4H3120.0°120.0°

222036

PDB entries from 2024-07-03

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