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A1AN0

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1sing1.53Å1.53Å
C2C1sing1.53Å1.55Å
C1C3sing1.53Å1.55Å
NC3sing1.46Å1.46Å
C4Nsing1.38Å1.36Å
C4N1doub1.33Å1.35ÅAromatic
N1C5sing1.32Å1.34ÅAromatic
C5N2doub1.31Å1.34ÅAromatic
N2C6sing1.33Å1.34ÅAromatic
C6N3sing1.37Å1.38ÅAromatic
N3C7sing1.37Å1.38ÅAromatic
BRC7sing1.89Å1.85Å
C7C8doub1.34Å1.38ÅAromatic
C8C9sing1.46Å1.44ÅAromatic
C9C4sing1.40Å1.42ÅAromatic
C6C9doub1.41Å1.40ÅAromatic
C3C10sing1.51Å1.52Å
C10C11doub1.38Å1.39ÅAromatic
C11C12sing1.38Å1.39ÅAromatic
C12C13doub1.39Å1.39ÅAromatic
C13C14sing1.50Å1.51Å
C14C15sing1.52Å1.52Å
C15C16sing1.54Å1.53Å
C16Ssing1.82Å1.76Å
OSdoub1.42Å1.43Å
SO1doub1.42Å1.45Å
C17Ssing1.77Å1.73Å
C13C17sing1.38Å1.40ÅAromatic
C18C17doub1.39Å1.39ÅAromatic
C10C18sing1.38Å1.39ÅAromatic
N3H1sing0.97Å1.00Å
C5H10sing1.08Å1.08Å
C8H11sing1.08Å1.08Å
C15H16sing1.09Å1.10Å
C15H17sing1.09Å1.10Å
C16H19sing1.09Å1.10Å
C16H18sing1.09Å1.10Å
C14H15sing1.09Å1.10Å
C14H14sing1.09Å1.10Å
C12H13sing1.08Å1.08Å
C11H12sing1.08Å1.08Å
C18H20sing1.08Å1.08Å
C3Hsing1.09Å1.10Å
C1H5sing1.09Å1.10Å
C2H8sing1.09Å1.10Å
C2H7sing1.09Å1.10Å
C2H6sing1.09Å1.10Å
CH4sing1.09Å1.10Å
CH2sing1.09Å1.10Å
CH3sing1.09Å1.10Å
NH9sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CC1C2109.9°109.5°
CC1C3111.9°109.4°
CC1H5108.0°109.5°
C1CH4109.5°109.5°
C1CH2109.5°109.4°
C1CH3109.5°109.5°
C2C1C3111.4°109.5°
C2C1H5107.7°109.5°
C1C2H8109.5°109.5°
C1C2H7109.5°109.5°
C1C2H6109.5°109.4°
C1C3N109.8°109.5°
C1C3C10112.6°109.4°
C1C3H107.2°109.5°
C3C1H5107.8°109.5°
C3NC4124.7°120.0°
NC3C10111.2°109.5°
NC3H108.3°109.5°
C3NH9105.6°120.0°
NC4N1118.9°120.8°
NC4C9121.3°120.8°
C4NH9105.5°120.0°
C4N1C5117.2°121.0°
N1C4C9119.8°118.4°
N1C5N2129.0°122.7°
N1C5H10115.5°118.6°
C5N2C6112.5°120.7°
N2C5H10115.5°118.6°
N2C6N3125.4°134.3°
N2C6C9125.5°118.5°
C6N3C7107.1°110.0°
N3C6C9109.0°107.1°
C6N3H1126.5°124.9°
N3C7BR121.2°125.1°
N3C7C8111.3°109.8°
C7N3H1126.5°125.0°
BRC7C8127.1°125.1°
C7C8C9105.2°106.8°
C7C8H11127.4°126.6°
C8C9C4136.8°135.2°
C8C9C6107.4°106.2°
C9C8H11127.4°126.6°
C4C9C6115.8°118.6°
C3C10C11121.5°120.3°
C3C10C18120.7°120.3°
C10C3H107.5°109.4°
C10C11C12121.1°119.9°
C11C10C18117.8°119.4°
C10C11H12119.5°120.0°
C11C12C13122.3°121.0°
C11C12H13118.9°119.5°
C12C11H12119.5°120.1°
C12C13C14119.5°116.5°
C12C13C17116.2°118.8°
C13C12H13118.8°119.5°
C13C14C15113.6°113.9°
C14C13C17124.2°124.7°
C13C14H15108.4°108.6°
C13C14H14108.4°108.6°
C14C15C16110.0°109.1°
C14C15H16109.4°109.6°
C14C15H17109.3°109.6°
C15C14H15108.4°108.6°
C15C14H14108.5°108.6°
C15C16S111.5°107.0°
C16C15H16109.3°109.5°
C16C15H17109.3°109.5°
C15C16H19109.0°110.0°
C15C16H18108.9°110.0°
C16SO109.2°110.7°
C16SO1109.4°110.7°
C16SC17105.1°103.6°
SC16H19109.0°110.0°
SC16H18109.0°109.9°
OSO1117.2°121.1°
OSC17107.0°104.4°
O1SC17108.2°104.4°
SC17C13121.5°121.9°
SC17C18116.6°117.9°
C13C17C18121.8°120.2°
C17C18C10120.8°120.7°
C17C18H20119.6°119.6°
C10C18H20119.6°119.7°
H16C15H17109.5°109.5°
H19C16H18109.5°109.9°
H15C14H14109.5°108.4°
H8C2H7109.4°109.5°
H8C2H6109.4°109.5°
H7C2H6109.5°109.5°
H4CH2109.5°109.5°
H4CH3109.5°109.5°
H2CH3109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CC1C2C3124.6°119.9°
CC1C2H5117.4°120.0°
CC1C3H5118.6°120.0°
CC1C3N177.5°60.0°
CC1C3C1053.1°180.0°
CC1C3H65.0°60.0°
CC1C2H8180.0°60.0°
CC1C2H760.0°60.1°
CC1C2H660.0°180.0°
C1CH4H2120.0°119.9°
C1CH4H3120.0°120.0°
C1CH2H3120.0°120.0°
C2C1C3H5118.0°120.0°
C2C1C3N59.1°180.0°
C2C1C3C10176.5°60.0°
C2C1C3H58.4°59.9°
C1C2H8H7120.0°120.0°
C1C2H8H6120.0°120.0°
C1C2H7H6120.0°120.0°
C2C1CH4180.0°180.0°
C2C1CH260.0°60.0°
C2C1CH360.0°59.9°
C1C3NC10125.3°120.0°
C1C3NH116.8°120.0°
C1C3NC4141.4°85.1°
C1C3C10H117.9°120.0°
C1C3C10C11111.2°80.0°
C1C3C10C1870.9°100.3°
C3C1C2H855.4°59.9°
C3C1C2H7175.4°180.0°
C3C1C2H664.6°60.0°
C3C1CH455.8°60.0°
C3C1CH264.3°180.0°
C3C1CH3175.7°60.0°
C1C3NH996.6°95.0°
C3NC4H9122.1°180.0°
C3NC4N113.3°0.0°
C3NC4C9168.6°180.0°
NC3C10H118.4°120.0°
NC3C10C11125.1°40.0°
NC3C10C1852.7°139.8°
NC3C1H558.9°60.0°
NC4N1C9178.1°179.9°
NC4N1C5177.1°180.0°
NC4C9C82.9°0.1°
NC4C9C6175.6°180.0°
C4NC3C1093.4°155.0°
C4NC3H24.6°35.0°
C4N1C5N22.0°0.0°
N1C4C9C8179.0°179.9°
N1C4C9C62.5°0.0°
C4N1C5H10178.0°180.0°
N1C4NH9135.4°180.0°
N1C5N2H10180.0°179.9°
N1C5N2C63.0°0.1°
C5N1C4C91.0°0.0°
C5N2C6N3177.6°179.9°
C5N2C6C91.1°0.0°
N2C6N3C9178.9°180.0°
N2C6N3C7179.8°179.9°
N2C6C9C8179.7°179.9°
N2C6C9C41.4°0.0°
N2C6N3H10.2°0.0°
C6N2C5H10177.0°180.0°
C6N3C7H1180.0°180.0°
C6N3C7BR172.3°180.0°
C6N3C7C81.4°0.0°
N3C6C9C80.8°0.0°
N3C6C9C4179.7°179.9°
N3C7BRC8172.7°180.0°
N3C7C8C90.9°0.0°
C7N3C6C91.3°0.0°
N3C7C8H11179.1°179.9°
BRC7C8C9172.4°180.0°
BRC7N3H17.7°0.0°
BRC7C8H117.6°0.0°
C7C8C9H11180.0°179.9°
C7C8C9C4178.5°179.9°
C7C8C9C60.1°0.0°
C8C7N3H1178.6°180.0°
C8C9C4C6178.5°179.9°
C4C9C8H111.5°0.2°
C9C4NH946.6°0.0°
C9C6N3H1178.7°180.0°
C6C9C8H11179.9°179.9°
C3C10C11C18177.9°179.8°
C3C10C11C12176.9°180.0°
C3C10C18C17176.6°179.7°
C3C10C11H123.1°0.0°
C3C10C18H203.4°0.3°
C10C3C1H565.5°60.0°
C10C3NH928.7°25.0°
C10C11C12H12180.0°179.9°
C10C11C12C131.3°0.1°
C11C10C18C171.3°0.1°
C10C11C12H13178.6°179.9°
C11C10C18H20178.7°179.9°
C11C10C3H6.7°160.1°
C11C12C13H13180.0°179.9°
C11C12C13C14176.1°179.5°
C11C12C13C171.8°0.3°
C12C11C10C181.0°0.2°
C12C13C14C17177.7°179.8°
C12C13C14C15154.3°156.5°
C12C13C17S175.6°179.0°
C12C13C17C182.1°0.7°
C12C13C14H1533.6°82.4°
C12C13C14H1485.1°35.3°
C13C12C11H12178.7°179.9°
C13C14C15H15120.6°121.1°
C13C14C15H14120.6°121.2°
C13C14C15C1658.3°61.2°
C14C13C17S6.6°1.2°
C14C13C17C18175.6°179.1°
C13C14C15H1661.8°58.6°
C13C14C15H17178.3°178.8°
C13C14H15H14118.1°117.8°
C14C13C12H134.0°0.6°
C14C15C16H16120.1°119.9°
C14C15C16H17120.1°119.9°
C14C15C16S66.4°71.6°
C15C14C13C1728.0°23.7°
C14C15H16H17119.8°120.2°
C14C15C16H19173.3°47.9°
C14C15C16H1853.9°169.1°
C15C14H15H14118.2°117.8°
C15C16SH19120.3°119.4°
C15C16SH18120.3°119.4°
C15C16SO72.9°156.4°
C15C16SO1157.5°66.4°
C15C16SC1741.6°45.0°
C16C15H16H17119.7°120.2°
C15C16H19H18119.1°121.2°
C16C15C14H15178.9°59.9°
C16C15C14H1462.3°177.6°
C16SOO1125.1°132.0°
C16SOC17113.2°110.9°
C16SO1C17114.0°110.9°
C16SC17C1312.6°12.0°
C16SC17C18169.5°168.3°
SC16C15H1653.7°48.4°
SC16C15H17173.5°168.5°
SC16H19H18119.1°121.2°
OSO1C17121.0°117.0°
OSC17C13103.4°128.0°
OSC17C1874.5°52.3°
OSC16H1947.4°37.0°
OSC16H18166.8°84.2°
O1SC17C13129.4°103.9°
O1SC17C1852.7°75.8°
O1SC16H1982.2°174.2°
O1SC16H1837.3°53.0°
SC17C13C18177.8°179.7°
SC17C18C10175.9°179.1°
C17SC16H19161.9°74.4°
C17SC16H1878.7°164.4°
SC17C18H204.1°0.8°
C13C17C18C101.9°0.6°
C17C13C14H15148.6°97.4°
C17C13C14H1492.6°144.9°
C17C13C12H13178.2°179.6°
C13C17C18H20178.1°179.5°
C17C18C10H20180.0°180.0°
C18C10C11H12179.0°179.8°
C18C10C3H171.2°19.7°
H16C15C16H1966.6°167.8°
H16C15C16H18174.0°71.0°
H16C15C14H1558.8°179.8°
H16C15C14H14177.6°62.5°
H17C15C16H1953.3°72.1°
H17C15C16H1866.2°49.1°
H17C15C14H1561.0°60.0°
H17C15C14H1457.7°57.7°
H13C12C11H121.4°0.0°
HC3C1H5176.4°179.9°
HC3NH9146.7°145.0°
H5C1C2H862.6°180.0°
H5C1C2H757.4°60.0°
H5C1C2H6177.4°60.0°
H5C1CH462.7°60.0°
H5C1CH2177.3°60.0°
H5C1CH357.3°180.0°
H8C2H7H6120.0°120.0°
H4CH2H3120.0°120.1°

222036

PDB entries from 2024-07-03

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