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A1AL7

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1sing1.53Å1.54Å
C2C1sing1.53Å1.52Å
C1C3sing1.53Å1.55Å
C3Nsing1.47Å1.46Å
NC4sing1.38Å1.36Å
C4N1doub1.33Å1.36ÅAromatic
N1C5sing1.32Å1.34ÅAromatic
C5N2doub1.31Å1.35ÅAromatic
N2C6sing1.33Å1.35ÅAromatic
C6N3sing1.37Å1.37ÅAromatic
N3C7sing1.38Å1.39ÅAromatic
C7C8sing1.48Å1.48Å
C8C9sing1.41Å1.41ÅAromatic
C9N4doub1.31Å1.33ÅAromatic
N4N5sing1.40Å1.36ÅAromatic
N5C10sing1.47Å1.45Å
C10C11sing1.51Å1.53Å
C11Odoub1.21Å1.22Å
N6C11sing1.35Å1.35Å
C12N6sing1.47Å1.46Å
C13N6sing1.46Å1.47Å
C14N5sing1.35Å1.35ÅAromatic
C8C14doub1.37Å1.38ÅAromatic
C15C7doub1.36Å1.37ÅAromatic
C16C15sing1.46Å1.44ÅAromatic
C4C16sing1.40Å1.41ÅAromatic
C6C16doub1.41Å1.41ÅAromatic
C17C3sing1.51Å1.52Å
C17C18doub1.38Å1.39ÅAromatic
C18C19sing1.38Å1.39ÅAromatic
C19C20doub1.39Å1.38ÅAromatic
C20C21sing1.39Å1.40ÅAromatic
C21C22doub1.39Å1.38ÅAromatic
C22C17sing1.38Å1.39ÅAromatic
O1C21sing1.36Å1.37Å
C23O1sing1.43Å1.45Å
C24C23sing1.53Å1.48Å
O2C24sing1.43Å1.45Å
C20O2sing1.36Å1.38Å
N3H1sing0.97Å1.00Å
C5H10sing1.08Å1.08Å
C10H13sing1.09Å1.10Å
C10H12sing1.09Å1.10Å
C13H17sing1.09Å1.10Å
C13H19sing1.09Å1.10Å
C13H18sing1.09Å1.10Å
C15H21sing1.08Å1.08Å
C22H24sing1.08Å1.08Å
C24H28sing1.09Å1.10Å
C24H27sing1.09Å1.10Å
C12H14sing1.09Å1.10Å
C12H16sing1.09Å1.10Å
C12H15sing1.09Å1.10Å
C9H11sing1.08Å1.08Å
C14H20sing1.08Å1.08Å
NH9sing0.97Å1.00Å
C3Hsing1.09Å1.10Å
C1H5sing1.09Å1.10Å
C2H7sing1.09Å1.10Å
C2H6sing1.09Å1.10Å
C2H8sing1.09Å1.10Å
CH2sing1.09Å1.10Å
CH3sing1.09Å1.10Å
CH4sing1.09Å1.10Å
C23H26sing1.09Å1.10Å
C23H25sing1.09Å1.10Å
C19H23sing1.08Å1.08Å
C18H22sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CC1C2110.4°109.5°
CC1C3111.5°109.5°
CC1H5107.7°109.5°
C1CH2109.5°109.4°
C1CH3109.5°109.5°
C1CH4109.5°109.5°
C2C1C3111.6°109.5°
C2C1H5107.9°109.4°
C1C2H7109.5°109.5°
C1C2H6109.5°109.5°
C1C2H8109.5°109.4°
C1C3N109.9°109.5°
C1C3C17112.8°109.5°
C1C3H107.0°109.5°
C3C1H5107.5°109.5°
C3NC4126.0°120.0°
NC3C17111.5°109.4°
C3NH9105.2°120.0°
NC3H108.1°109.5°
NC4N1119.9°120.8°
NC4C16120.7°120.9°
C4NH9105.2°120.0°
C4N1C5118.2°121.0°
N1C4C16119.4°118.3°
N1C5N2128.5°122.7°
N1C5H10115.7°118.6°
C5N2C6111.9°120.8°
N2C5H10115.7°118.7°
N2C6N3125.8°134.1°
N2C6C16126.1°118.5°
C6N3C7108.7°110.0°
N3C6C16108.1°107.4°
C6N3H1125.7°125.0°
N3C7C8122.2°125.3°
N3C7C15109.2°109.5°
C7N3H1125.6°125.0°
C7C8C9127.6°126.3°
C7C8C14127.9°126.3°
C8C7C15128.4°125.2°
C8C9N4112.0°108.1°
C9C8C14104.2°107.5°
C8C9H11124.0°125.9°
C9N4N5104.5°108.6°
N4C9H11124.0°126.0°
N4N5C10120.4°125.9°
N4N5C14112.4°108.3°
N5C10C11111.1°109.5°
C10N5C14127.3°125.9°
N5C10H13109.0°109.5°
N5C10H12109.1°109.5°
C10C11O120.4°120.0°
C10C11N6117.2°120.0°
C11C10H13109.1°109.5°
C11C10H12109.1°109.4°
OC11N6122.4°120.0°
C11N6C12120.4°120.0°
C11N6C13125.0°120.0°
C12N6C13114.6°120.1°
N6C12H14109.5°109.5°
N6C12H16109.4°109.5°
N6C12H15109.5°109.4°
N6C13H17109.5°109.5°
N6C13H19109.4°109.5°
N6C13H18109.5°109.5°
N5C14C8106.8°107.6°
N5C14H20126.6°126.3°
C8C14H20126.6°126.2°
C7C15C16106.9°106.7°
C7C15H21126.6°126.6°
C15C16C4137.0°134.9°
C15C16C6107.1°106.4°
C16C15H21126.6°126.6°
C4C16C6115.8°118.7°
C3C17C18121.3°119.9°
C3C17C22120.0°119.9°
C17C3H107.3°109.5°
C17C18C19121.1°120.1°
C18C17C22118.7°120.1°
C17C18H22119.5°120.0°
C18C19C20119.7°120.1°
C18C19H23120.1°120.0°
C19C18H22119.4°119.9°
C19C20C21119.8°119.8°
C19C20O2118.0°119.4°
C20C19H23120.2°119.9°
C20C21C22120.0°119.8°
C20C21O1121.5°120.7°
C21C20O2122.1°120.8°
C21C22C17120.6°120.1°
C22C21O1118.4°119.4°
C21C22H24119.7°120.0°
C17C22H24119.7°120.0°
C21O1C23115.5°116.7°
O1C23C24112.9°108.2°
O1C23H26108.6°109.7°
O1C23H25108.6°109.7°
C23C24O2111.8°108.4°
C23C24H28108.9°109.7°
C23C24H27108.9°109.7°
C24C23H26108.6°109.7°
C24C23H25108.6°109.7°
C24O2C20115.0°116.8°
O2C24H28108.9°109.6°
O2C24H27108.9°109.8°
H13C10H12109.5°109.5°
H17C13H19109.5°109.4°
H17C13H18109.4°109.4°
H19C13H18109.5°109.4°
H28C24H27109.5°109.6°
H14C12H16109.5°109.5°
H14C12H15109.5°109.5°
H16C12H15109.4°109.5°
H7C2H6109.5°109.5°
H7C2H8109.5°109.4°
H6C2H8109.4°109.5°
H2CH3109.5°109.5°
H2CH4109.5°109.5°
H3CH4109.5°109.5°
H26C23H25109.5°109.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CC1C2C3124.6°120.0°
CC1C2H5117.5°120.0°
CC1C3H5117.8°120.0°
CC1C3N57.2°60.0°
CC1C3C17177.7°60.0°
CC1C3H59.9°180.0°
CC1C2H7180.0°59.9°
CC1C2H660.0°180.0°
CC1C2H860.0°60.0°
C1CH2H3120.0°120.0°
C1CH2H4120.0°120.0°
C1CH3H4120.0°120.0°
C2C1C3H5118.2°120.0°
C2C1C3N178.8°60.1°
C2C1C3C1753.8°180.0°
C2C1C3H64.1°60.0°
C1C2H7H6120.0°120.0°
C1C2H7H8120.0°120.0°
C1C2H6H8120.0°120.0°
C2C1CH2180.0°180.0°
C2C1CH360.0°60.0°
C2C1CH460.0°60.0°
C1C3NC17125.8°120.0°
C1C3NH116.4°120.0°
C1C3NC4128.1°85.0°
C1C3C17H117.6°120.0°
C1C3C17C18110.7°80.0°
C1C3C17C2271.2°100.2°
C1C3NH9109.7°95.0°
C3C1C2H755.4°180.0°
C3C1C2H664.6°60.0°
C3C1C2H8175.4°60.0°
C3C1CH255.4°60.0°
C3C1CH3175.4°180.0°
C3C1CH464.6°60.0°
C3NC4H9122.2°180.0°
C3NC4N14.9°0.0°
C3NC4C16175.6°180.0°
NC3C17H118.2°120.0°
NC3C17C18125.1°40.0°
NC3C17C2252.9°139.8°
NC3C1H560.7°180.0°
NC4N1C16179.5°180.0°
NC4N1C5178.5°180.0°
NC4C16C152.2°0.1°
NC4C16C6178.1°180.0°
C4NC3C17106.1°155.0°
C4NC3H11.7°35.0°
C4N1C5N20.7°0.0°
N1C4C16C15177.3°180.0°
N1C4C16C61.3°0.1°
C4N1C5H10179.3°180.0°
N1C4NH9127.1°180.0°
N1C5N2H10180.0°179.9°
N1C5N2C60.8°0.0°
C5N1C4C160.9°0.0°
C5N2C6N3177.2°180.0°
C5N2C6C161.4°0.0°
N2C6N3C16178.8°180.0°
N2C6N3C7179.3°180.0°
N2C6C16C15178.8°180.0°
N2C6C16C41.7°0.1°
N2C6N3H10.7°0.0°
C6N2C5H10179.2°180.0°
C6N3C7H1180.0°180.0°
C6N3C7C8176.8°180.0°
C6N3C7C150.8°0.1°
N3C6C16C150.0°0.0°
N3C6C16C4177.1°180.0°
N3C7C8C15175.1°180.0°
N3C7C8C9172.9°180.0°
N3C7C8C1413.3°0.3°
N3C7C15C160.8°0.0°
C7N3C6C160.5°0.1°
N3C7C15H21179.2°179.9°
C7C8C9C14174.9°179.7°
C7C8C9N4176.0°180.0°
C7C8C14N5176.3°180.0°
C8C7C15C16176.5°180.0°
C8C7N3H13.1°0.0°
C8C7C15H213.5°0.1°
C7C8C9H114.0°0.1°
C7C8C14H203.7°0.0°
C8C9N4H11180.0°179.9°
C8C9N4N50.3°0.2°
C9C8C14N51.4°0.3°
C9C8C7C1511.9°0.0°
C9C8C14H20178.6°179.7°
C9N4N5C10179.3°180.0°
C9N4N5C140.7°0.0°
N4C9C8C141.1°0.3°
N4N5C10C14179.9°180.0°
N4N5C10C1184.1°55.0°
N4N5C14C81.4°0.2°
N4N5C10H13155.6°175.0°
N4N5C10H1236.1°65.0°
N5N4C9H11179.7°179.9°
N4N5C14H20178.6°179.8°
N5C10C11H13120.2°120.0°
N5C10C11H12120.2°120.0°
N5C10C11O1.5°0.0°
N5C10C11N6177.6°180.0°
C10N5C14C8178.7°179.8°
N5C10H13H12119.2°120.0°
C10N5C14H201.3°0.2°
C10C11ON6179.0°180.0°
C10C11N6C12172.5°0.1°
C10C11N6C137.7°180.0°
C11C10N5C1495.8°125.1°
C11C10H13H12119.3°120.0°
OC11N6C128.5°180.0°
OC11N6C13171.4°0.0°
OC11C10H13121.7°120.0°
OC11C10H12118.8°120.0°
C11N6C12C13179.9°180.0°
N6C11C10H1357.3°60.0°
N6C11C10H1262.2°60.0°
C11N6C13H17180.0°90.0°
C11N6C13H1960.0°150.0°
C11N6C13H1860.0°30.0°
C11N6C12H14180.0°90.0°
C11N6C12H1660.0°30.0°
C11N6C12H1560.0°150.0°
C12N6C13H170.1°90.0°
C12N6C13H19119.9°30.0°
C12N6C13H18120.1°150.0°
N6C12H14H16120.0°120.0°
N6C12H14H15120.0°119.9°
N6C12H16H15119.9°119.9°
N6C13H17H19120.0°120.0°
N6C13H17H18120.0°120.1°
N6C13H19H18120.0°120.0°
C13N6C12H140.1°90.0°
C13N6C12H16120.2°150.0°
C13N6C12H15119.9°30.0°
N5C14C8H20180.0°180.0°
C14N5C10H1324.5°5.0°
C14N5C10H12144.0°115.0°
C14C8C7C15161.8°179.7°
C14C8C9H11178.9°179.8°
C7C15C16H21180.0°179.9°
C7C15C16C4176.7°179.9°
C7C15C16C60.5°0.0°
C15C7N3H1179.1°180.0°
C15C16C4C6175.9°179.9°
C4C16C15H213.3°0.0°
C16C4NH953.4°0.0°
C16C6N3H1179.5°180.0°
C6C16C15H21179.5°179.9°
C3C17C18C22178.1°179.8°
C3C17C18C19179.9°179.9°
C3C17C22C21178.8°180.0°
C3C17C22H241.3°0.1°
C17C3NH916.1°25.0°
C17C3C1H564.4°60.0°
C3C17C18H220.1°0.0°
C17C18C19H22180.0°179.9°
C17C18C19C202.4°0.1°
C18C17C22C210.7°0.2°
C18C17C22H24179.3°179.7°
C18C17C3H6.9°160.0°
C17C18C19H23177.7°179.8°
C18C19C20H23180.0°179.8°
C18C19C20C211.3°0.3°
C19C18C17C222.0°0.3°
C18C19C20O2179.7°179.9°
C19C20C21O2178.2°179.8°
C19C20C21C220.0°0.4°
C19C20C21O1178.1°179.7°
C19C20O2C24166.5°163.0°
C20C19C18H22177.6°180.0°
C20C21C22O1178.2°179.9°
C20C21C22C170.3°0.2°
C20C21O1C2312.3°17.3°
C21C20O2C2415.2°16.8°
C20C21C22H24179.7°179.9°
C21C20C19H23178.7°179.9°
C21C22C17H24180.0°179.9°
C22C21O1C23165.9°162.6°
C22C21C20O2178.3°179.7°
C17C22C21O1178.5°179.9°
C22C17C3H171.1°19.8°
C22C17C18H22178.0°179.8°
C21O1C23C2438.9°46.2°
O1C21C20O20.1°0.1°
O1C21C22H241.5°0.1°
C21O1C23H2681.6°73.4°
C21O1C23H25159.4°165.9°
O1C23C24H26120.5°119.6°
O1C23C24H25120.5°119.7°
O1C23C24O253.6°59.6°
O1C23C24H28174.0°60.0°
O1C23C24H2766.7°179.5°
O1C23H26H25118.5°120.6°
C23C24O2H28120.3°119.7°
C23C24O2H27120.3°119.8°
C23C24O2C2041.3°45.8°
C23C24H28H27118.9°120.5°
C24C23H26H25118.4°120.7°
O2C24H28H27118.9°120.6°
O2C24C23H2666.9°60.0°
O2C24C23H25174.1°179.3°
C20O2C24H28161.6°73.9°
C20O2C24H2779.1°165.7°
O2C20C19H230.4°0.0°
H17C13H19H18120.0°119.9°
H28C24C23H2653.5°179.6°
H28C24C23H2565.5°59.7°
H27C24C23H26172.8°59.9°
H27C24C23H2553.8°60.8°
H14C12H16H15120.0°120.0°
H9NC3H133.9°145.0°
HC3C1H5177.8°60.0°
H5C1C2H762.5°60.0°
H5C1C2H6177.5°60.0°
H5C1C2H857.5°180.0°
H5C1CH262.4°60.0°
H5C1CH357.6°60.0°
H5C1CH4177.6°180.0°
H7C2H6H8120.0°120.0°
H2CH3H4120.0°120.0°
H23C19C18H222.3°0.1°

222036

PDB entries from 2024-07-03

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