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A1ANZ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1sing1.53Å1.53Å
C2C1sing1.53Å1.54Å
C1C3sing1.53Å1.55Å
NC3sing1.46Å1.46Å
C4Nsing1.38Å1.37Å
C4N1doub1.33Å1.36ÅAromatic
N1C5sing1.32Å1.35ÅAromatic
C5N2doub1.31Å1.33ÅAromatic
N2C6sing1.33Å1.35ÅAromatic
C6N3sing1.37Å1.38ÅAromatic
N3C7sing1.38Å1.39ÅAromatic
C8C7sing1.48Å1.47Å
C8C9doub1.40Å1.39ÅAromatic
C9C10sing1.38Å1.38ÅAromatic
C10N4doub1.32Å1.34ÅAromatic
N4C11sing1.32Å1.33ÅAromatic
OC11sing1.36Å1.36Å
C12Osing1.43Å1.45Å
C13C12sing1.53Å1.52Å
N5C13sing1.47Å1.46Å
C14N5sing1.47Å1.47Å
C15N5sing1.47Å1.46Å
C11C16doub1.38Å1.40ÅAromatic
C16C8sing1.40Å1.39ÅAromatic
C7C17doub1.36Å1.37ÅAromatic
C17C18sing1.46Å1.43ÅAromatic
C18C4sing1.41Å1.42ÅAromatic
C6C18doub1.41Å1.40ÅAromatic
C3C19sing1.51Å1.52Å
C19C20doub1.38Å1.39ÅAromatic
C20C21sing1.38Å1.39ÅAromatic
C21C22doub1.39Å1.40ÅAromatic
C22C23sing1.38Å1.40ÅAromatic
C24C23doub1.39Å1.39ÅAromatic
C19C24sing1.38Å1.39ÅAromatic
C23Ssing1.76Å1.75Å
O1Sdoub1.42Å1.45Å
SO2doub1.42Å1.44Å
C25Ssing1.82Å1.76Å
C26C25sing1.54Å1.53Å
C27C26sing1.52Å1.51Å
C22C27sing1.50Å1.51Å
N3H1sing0.97Å1.00Å
C5H10sing1.08Å1.08Å
C10H12sing1.08Å1.08Å
C13H16sing1.09Å1.10Å
C13H15sing1.09Å1.10Å
C15H20sing1.09Å1.10Å
C15H21sing1.09Å1.10Å
C15H22sing1.09Å1.10Å
C17H24sing1.08Å1.08Å
C20H25sing1.08Å1.08Å
C21H26sing1.08Å1.08Å
C24H27sing1.08Å1.08Å
C26H31sing1.09Å1.10Å
C26H30sing1.09Å1.10Å
C25H28sing1.09Å1.10Å
C25H29sing1.09Å1.10Å
C27H32sing1.09Å1.10Å
C27H33sing1.09Å1.10Å
C3Hsing1.09Å1.10Å
C1H5sing1.09Å1.10Å
C2H8sing1.09Å1.10Å
C2H7sing1.09Å1.10Å
C2H6sing1.09Å1.10Å
CH3sing1.09Å1.10Å
CH2sing1.09Å1.10Å
CH4sing1.09Å1.10Å
NH9sing0.97Å1.00Å
C16H23sing1.08Å1.08Å
C9H11sing1.08Å1.08Å
C12H14sing1.09Å1.10Å
C12H13sing1.09Å1.10Å
C14H19sing1.09Å1.10Å
C14H17sing1.09Å1.10Å
C14H18sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CC1C2110.0°109.4°
CC1C3111.7°109.5°
CC1H5108.1°109.5°
C1CH3109.5°109.4°
C1CH2109.5°109.5°
C1CH4109.5°109.5°
C2C1C3110.9°109.5°
C2C1H5108.0°109.5°
C1C2H8109.5°109.5°
C1C2H7109.5°109.4°
C1C2H6109.5°109.5°
C1C3N109.8°109.5°
C1C3C19112.7°109.5°
C1C3H107.3°109.5°
C3C1H5107.9°109.5°
C3NC4124.1°120.0°
NC3C19111.0°109.5°
NC3H108.4°109.4°
C3NH9105.7°120.0°
NC4N1119.8°120.8°
NC4C18121.5°120.9°
C4NH9105.7°119.9°
C4N1C5117.8°121.0°
N1C4C18118.7°118.3°
N1C5N2128.9°122.7°
N1C5H10115.6°118.6°
C5N2C6112.5°120.8°
N2C5H10115.6°118.7°
N2C6N3126.4°134.1°
N2C6C18125.4°118.5°
C6N3C7108.5°109.9°
N3C6C18108.2°107.4°
C6N3H1125.8°125.0°
N3C7C8122.1°125.3°
N3C7C17108.9°109.4°
C7N3H1125.8°125.0°
C7C8C9119.4°120.9°
C7C8C16121.9°120.9°
C8C7C17129.0°125.3°
C8C9C10118.6°119.1°
C9C8C16118.7°118.2°
C8C9H11120.7°120.5°
C9C10N4124.1°121.0°
C9C10H12118.0°119.5°
C10C9H11120.7°120.4°
C10N4C11116.8°122.0°
N4C10H12118.0°119.5°
N4C11O119.2°119.6°
N4C11C16124.4°120.8°
C11OC12117.9°117.1°
OC11C16116.4°119.7°
OC12C13111.6°109.5°
OC12H14108.9°109.4°
OC12H13108.9°109.5°
C12C13N5116.6°109.5°
C12C13H16107.6°109.5°
C12C13H15107.6°109.4°
C13C12H14108.9°109.5°
C13C12H13108.9°109.5°
C13N5C14109.7°111.0°
C13N5C15111.2°111.0°
N5C13H16107.7°109.5°
N5C13H15107.7°109.5°
C14N5C15109.5°111.0°
N5C14H19109.5°109.5°
N5C14H17109.5°109.5°
N5C14H18109.5°109.5°
N5C15H20109.5°109.5°
N5C15H21109.5°109.4°
N5C15H22109.5°109.5°
C11C16C8117.4°119.0°
C11C16H23121.3°120.5°
C8C16H23121.3°120.5°
C7C17C18107.3°106.7°
C7C17H24126.4°126.6°
C17C18C4136.3°134.9°
C17C18C6107.1°106.5°
C18C17H24126.3°126.7°
C4C18C6116.6°118.6°
C3C19C20121.7°120.3°
C3C19C24120.4°120.3°
C19C3H107.6°109.4°
C19C20C21120.9°119.9°
C20C19C24117.9°119.4°
C19C20H25119.5°120.0°
C20C21C22122.0°120.9°
C21C20H25119.5°120.1°
C20C21H26119.0°119.5°
C21C22C23116.6°118.9°
C21C22C27119.1°116.5°
C22C21H26119.0°119.6°
C22C23C24121.6°120.2°
C22C23S121.2°121.9°
C23C22C27124.2°124.6°
C23C24C19120.9°120.7°
C24C23S117.1°117.9°
C23C24H27119.5°119.6°
C19C24H27119.6°119.7°
C23SO1108.1°104.5°
C23SO2108.0°104.4°
C23SC25104.2°103.7°
O1SO2116.8°121.1°
O1SC25109.2°110.6°
O2SC25109.8°110.6°
SC25C26110.7°107.1°
SC25H28109.2°109.9°
SC25H29109.1°109.9°
C25C26C27109.7°109.1°
C25C26H31109.4°109.5°
C25C26H30109.4°109.5°
C26C25H28109.2°110.0°
C26C25H29109.2°109.9°
C26C27C22113.4°113.8°
C27C26H31109.4°109.5°
C27C26H30109.4°109.6°
C26C27H32108.5°108.6°
C26C27H33108.5°108.6°
C22C27H32108.5°108.6°
C22C27H33108.5°108.6°
H16C13H15109.5°109.5°
H20C15H21109.5°109.5°
H20C15H22109.4°109.5°
H21C15H22109.5°109.5°
H31C26H30109.5°109.5°
H28C25H29109.5°110.0°
H32C27H33109.5°108.4°
H8C2H7109.5°109.5°
H8C2H6109.5°109.5°
H7C2H6109.5°109.5°
H3CH2109.5°109.5°
H3CH4109.4°109.5°
H2CH4109.5°109.5°
H14C12H13109.5°109.5°
H19C14H17109.5°109.5°
H19C14H18109.5°109.4°
H17C14H18109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CC1C2C3124.1°120.0°
CC1C2H5117.8°120.0°
CC1C3H5118.7°120.0°
CC1C3N177.6°60.0°
CC1C3C1953.4°180.0°
CC1C3H64.9°60.0°
CC1C2H8180.0°60.0°
CC1C2H760.0°60.0°
CC1C2H660.0°180.0°
C1CH3H2120.0°120.0°
C1CH3H4120.0°120.0°
C1CH2H4120.0°120.0°
C2C1C3H5118.1°120.0°
C2C1C3N59.3°180.0°
C2C1C3C19176.5°60.0°
C2C1C3H58.3°60.0°
C1C2H8H7120.0°120.0°
C1C2H8H6120.0°120.0°
C1C2H7H6120.0°120.0°
C2C1CH3180.0°180.0°
C2C1CH260.0°60.0°
C2C1CH460.0°60.0°
C1C3NC19125.2°120.0°
C1C3NH116.8°120.0°
C1C3NC4142.4°85.0°
C1C3C19H118.1°120.0°
C1C3C19C20110.9°80.0°
C1C3C19C2470.5°99.4°
C3C1C2H855.9°60.0°
C3C1C2H7175.9°180.0°
C3C1C2H664.1°60.0°
C3C1CH356.4°60.0°
C3C1CH263.6°180.0°
C3C1CH4176.4°60.0°
C1C3NH995.6°95.0°
C3NC4H9122.0°179.9°
C3NC4N113.7°0.1°
C3NC4C18167.6°179.9°
NC3C19H118.4°119.9°
NC3C19C20125.5°40.1°
NC3C19C2453.1°140.6°
NC3C1H558.9°60.0°
NC4N1C18178.7°179.9°
NC4N1C5175.0°180.0°
NC4C18C171.7°0.2°
NC4C18C6173.9°180.0°
C4NC3C1992.3°154.9°
C4NC3H25.6°35.0°
C4N1C5N20.7°0.1°
N1C4C18C17179.6°180.0°
N1C4C18C64.8°0.1°
C4N1C5H10179.3°180.0°
N1C4NH9135.7°180.0°
N1C5N2H10180.0°179.9°
N1C5N2C61.1°0.1°
C5N1C4C183.8°0.1°
C5N2C6N3178.8°179.9°
C5N2C6C180.2°0.1°
N2C6N3C18178.9°179.9°
N2C6N3C7179.7°180.0°
N2C6C18C17179.9°180.0°
N2C6C18C43.1°0.1°
N2C6N3H10.3°0.0°
C6N2C5H10178.9°180.0°
C6N3C7H1180.0°180.0°
C6N3C7C8178.2°180.0°
C6N3C7C171.0°0.1°
N3C6C18C171.3°0.0°
N3C6C18C4178.1°179.9°
N3C7C8C17179.1°180.0°
N3C7C8C9168.6°180.0°
N3C7C8C1613.3°0.3°
N3C7C17C180.2°0.0°
C7N3C6C181.4°0.1°
N3C7C17H24179.8°180.0°
C7C8C9C16178.2°179.7°
C7C8C9C10176.7°179.7°
C7C8C16C11176.1°180.0°
C8C7C17C18179.0°180.0°
C8C7N3H11.8°0.0°
C8C7C17H241.0°0.0°
C7C8C16H233.9°0.0°
C7C8C9H113.3°0.0°
C8C9C10H11180.0°179.7°
C8C9C10N41.2°0.6°
C9C8C16C112.1°0.3°
C9C8C7C1712.3°0.0°
C8C9C10H12178.8°179.8°
C9C8C16H23177.9°179.8°
C9C10N4H12180.0°179.6°
C9C10N4C111.4°0.4°
C10C9C8C161.5°0.5°
C10N4C11O174.1°179.9°
C10N4C11C162.1°0.1°
N4C10C9H11178.8°179.7°
N4C11OC16176.5°180.0°
N4C11OC1220.6°0.0°
N4C11C16C82.5°0.0°
C11N4C10H12178.6°180.0°
N4C11C16H23177.5°180.0°
C11OC12C13142.0°180.0°
OC11C16C8173.8°180.0°
OC11C16H236.2°0.0°
C11OC12H1497.7°60.0°
C11OC12H1321.7°60.0°
OC12C13H14120.3°120.0°
OC12C13H13120.3°120.0°
OC12C13N567.2°65.0°
C12OC11C16155.9°180.0°
OC12C13H16171.7°175.0°
OC12C13H1553.8°55.0°
OC12H14H13119.0°120.0°
C12C13N5H16121.0°120.0°
C12C13N5H15121.0°119.9°
C12C13N5C14171.9°170.0°
C12C13N5C1566.8°66.1°
C12C13H16H15116.7°119.9°
C13C12H14H13119.0°120.0°
C13N5C14C15122.4°123.9°
N5C13H16H15116.8°120.0°
C13N5C15H20180.0°60.0°
C13N5C15H2160.0°180.0°
C13N5C15H2260.0°60.0°
N5C13C12H1453.1°175.0°
N5C13C12H13172.5°55.0°
C13N5C14H19180.0°60.0°
C13N5C14H1760.0°60.0°
C13N5C14H1860.0°180.0°
C14N5C13H1667.1°70.0°
C14N5C13H1550.9°50.1°
C14N5C15H2058.5°63.9°
C14N5C15H21178.5°56.1°
C14N5C15H2261.4°176.0°
N5C14H19H17120.0°120.0°
N5C14H19H18120.0°120.0°
N5C14H17H18120.0°120.0°
C15N5C13H1654.3°54.0°
C15N5C13H15172.2°174.0°
N5C15H20H21120.0°120.0°
N5C15H20H22120.0°120.0°
N5C15H21H22120.0°120.0°
C15N5C14H1957.7°64.0°
C15N5C14H1762.4°176.0°
C15N5C14H18177.7°56.0°
C11C16C8H23180.0°180.0°
C16C8C7C17165.8°179.8°
C16C8C9H11178.5°179.8°
C7C17C18H24180.0°179.9°
C7C17C18C4176.5°179.9°
C7C17C18C60.6°0.0°
C17C7N3H1179.0°180.0°
C17C18C4C6175.6°179.9°
C4C18C17H243.5°0.1°
C18C4NH945.6°0.1°
C18C6N3H1178.6°180.0°
C6C18C17H24179.4°179.9°
C3C19C20C24178.6°179.4°
C3C19C20C21178.3°179.6°
C3C19C24C23176.9°180.0°
C3C19C20H251.7°0.8°
C3C19C24H273.0°0.3°
C19C3C1H565.3°60.0°
C19C3NH929.6°25.0°
C19C20C21H25180.0°179.7°
C19C20C21C220.1°0.3°
C20C19C24C231.7°0.6°
C19C20C21H26179.8°179.7°
C20C19C24H27178.3°179.7°
C20C19C3H7.2°160.0°
C20C21C22H26180.0°180.0°
C20C21C22C231.2°0.9°
C21C20C19C240.4°0.2°
C20C21C22C27176.9°178.1°
C21C22C23C27178.0°178.9°
C21C22C23C242.6°1.4°
C21C22C23S175.7°177.9°
C21C22C27C26154.5°155.6°
C22C21C20H25179.8°180.0°
C21C22C27H3284.9°83.3°
C21C22C27H3333.9°34.5°
C22C23C24S178.4°179.3°
C22C23C24C192.9°1.2°
C22C23SO1129.8°102.9°
C22C23SO2103.0°128.9°
C22C23SC2513.7°13.0°
C23C22C27C2627.6°25.4°
C23C22C21H26178.8°179.1°
C22C23C24H27177.1°179.1°
C23C22C27H3293.0°95.7°
C23C22C27H33148.2°146.5°
C23C24C19H27180.0°179.7°
C24C23SO151.8°76.3°
C24C23SO275.4°51.8°
C24C23SC25167.9°167.8°
C24C23C22C27175.4°177.6°
C19C24C23S175.4°178.1°
C24C19C20H25179.6°179.8°
C24C19C3H171.4°20.6°
C23SO1O2122.0°117.2°
C23SO1C25112.8°111.0°
C23SO2C25113.0°111.0°
C23SC25C2643.6°44.9°
SC23C22C276.3°3.2°
SC23C24H274.5°1.6°
C23SC25H2876.6°74.5°
C23SC25H29163.8°164.3°
O1SO2C25124.9°131.8°
O1SC25C26159.0°66.7°
O1SC25H2838.8°173.9°
O1SC25H2980.9°52.7°
O2SC25C2671.9°156.3°
O2SC25H28168.0°36.9°
O2SC25H2948.3°84.3°
SC25C26H28120.2°119.4°
SC25C26H29120.2°119.4°
SC25C26C2769.0°71.3°
SC25C26H31170.9°48.6°
SC25C26H3051.0°168.8°
SC25H28H29119.4°121.2°
C25C26C27H31120.0°119.9°
C25C26C27H30120.0°119.9°
C25C26C27C2259.4°61.8°
C25C26H31H30119.9°120.1°
C26C25H28H29119.5°121.2°
C25C26C27H3261.2°59.4°
C25C26C27H33179.9°177.1°
C26C27C22H32120.6°121.1°
C26C27C22H33120.6°121.1°
C27C26H31H30119.9°120.2°
C27C26C25H2851.1°48.1°
C27C26C25H29170.8°169.4°
C26C27H32H33118.2°117.8°
C27C22C21H263.1°1.9°
C22C27C26H31179.4°58.1°
C22C27C26H3060.7°178.3°
C22C27H32H33118.2°117.9°
H12C10C9H111.2°0.1°
H16C13C12H1467.9°55.0°
H16C13C12H1351.4°65.0°
H15C13C12H14174.1°65.0°
H15C13C12H1366.5°175.0°
H20C15H21H22120.0°120.0°
H25C20C21H260.2°0.0°
H31C26C25H2868.9°168.0°
H31C26C25H2950.8°70.7°
H31C26C27H3258.8°179.3°
H31C26C27H3360.0°63.0°
H30C26C25H28171.1°71.9°
H30C26C25H2969.2°49.4°
H30C26C27H32178.8°60.5°
H30C26C27H3359.9°57.2°
HC3C1H5176.4°180.0°
HC3NH9147.6°145.0°
H5C1C2H862.2°180.0°
H5C1C2H757.8°60.0°
H5C1C2H6177.8°60.0°
H5C1CH362.2°60.0°
H5C1CH2177.8°60.0°
H5C1CH457.7°180.0°
H8C2H7H6120.0°120.0°
H3CH2H4119.9°120.0°
H19C14H17H18120.0°119.9°

222036

PDB entries from 2024-07-03

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