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57J

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N2N1sing1.40Å1.37ÅAromatic
N2C8doub1.30Å1.35ÅAromatic
N1C7sing1.37Å1.39ÅAromatic
C1C2sing1.51Å1.48Å
C8C6sing1.46Å1.44ÅAromatic
C7C2doub1.39Å1.40ÅAromatic
C7C6sing1.41Å1.42ÅAromatic
C2C3sing1.36Å1.38ÅAromatic
C6C5doub1.40Å1.39ÅAromatic
C3C4doub1.40Å1.41ÅAromatic
C5C4sing1.39Å1.38ÅAromatic
C4C9sing1.48Å1.48Å
O1C9doub1.22Å1.23Å
C9N3sing1.35Å1.40Å
N3C14sing1.47Å1.47Å
N3C10sing1.47Å1.47Å
C14C13sing1.53Å1.54Å
C10C11sing1.53Å1.53Å
C13C12sing1.53Å1.53Å
C11C12sing1.53Å1.53Å
C12O3sing1.43Å1.41Å
C12C15sing1.54Å1.53Å
O3C22sing1.35Å1.36Å
C15C16sing1.52Å1.50Å
C22C21doub1.39Å1.40ÅAromatic
C22C17sing1.40Å1.39ÅAromatic
C21C20sing1.38Å1.39ÅAromatic
C16C17sing1.47Å1.46Å
C16O2doub1.21Å1.22Å
C17C18doub1.40Å1.39ÅAromatic
C20C23sing1.51Å1.49Å
C20C19doub1.39Å1.40ÅAromatic
C18C19sing1.38Å1.39ÅAromatic
C19C24sing1.51Å1.48Å
C13H13sing1.09Å1.10Å
C13H12sing1.09Å1.10Å
C21H19sing1.08Å1.08Å
C8H7sing1.08Å1.08Å
C18H18sing1.08Å1.08Å
C1H3sing1.09Å1.10Å
C1H4sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C3H5sing1.08Å1.08Å
C5H6sing1.08Å1.08Å
N1H1sing0.97Å1.00Å
C10H9sing1.09Å1.10Å
C10H8sing1.09Å1.10Å
C11H11sing1.09Å1.10Å
C11H10sing1.09Å1.10Å
C14H14sing1.09Å1.10Å
C14H15sing1.09Å1.10Å
C15H17sing1.09Å1.10Å
C15H16sing1.09Å1.10Å
C23H21sing1.09Å1.10Å
C23H20sing1.09Å1.10Å
C23H22sing1.09Å1.10Å
C24H23sing1.09Å1.10Å
C24H25sing1.09Å1.10Å
C24H24sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N1N2C8107.3°110.1°
N2N1C7111.3°109.2°
N2N1H1124.3°125.5°
N2C8C6109.9°107.7°
N2C8H7125.1°126.1°
N1C7C2131.8°133.6°
N1C7C6106.1°106.7°
C7N1H1124.4°125.3°
C1C2C7119.9°119.9°
C1C2C3123.4°119.9°
C2C1H3109.5°109.4°
C2C1H4109.5°109.5°
C2C1H2109.5°109.5°
C8C6C7105.4°106.3°
C8C6C5134.4°133.9°
C6C8H7125.1°126.2°
C2C7C6122.1°119.7°
C7C2C3116.7°120.2°
C7C6C5120.1°119.8°
C2C3C4121.1°120.6°
C2C3H5119.4°119.7°
C6C5C4117.3°119.4°
C6C5H6121.3°120.3°
C3C4C5122.5°120.2°
C3C4C9117.4°119.9°
C4C3H5119.4°119.7°
C5C4C9120.0°119.9°
C4C5H6121.3°120.3°
C4C9O1121.2°120.0°
C4C9N3117.7°120.0°
O1C9N3121.0°120.1°
C9N3C14123.1°120.7°
C9N3C10120.8°120.6°
C14N3C10113.3°118.7°
N3C14C13111.6°108.8°
N3C14H14108.9°109.6°
N3C14H15109.0°109.6°
N3C10C11111.2°108.8°
N3C10H9109.0°109.6°
N3C10H8109.0°109.6°
C14C13C12111.0°109.3°
C14C13H13109.1°109.5°
C14C13H12109.1°109.5°
C13C14H14108.9°109.6°
C13C14H15108.9°109.6°
C10C11C12111.1°109.4°
C11C10H9109.0°109.5°
C11C10H8109.1°109.6°
C10C11H11109.1°109.6°
C10C11H10109.1°109.5°
C13C12C11110.7°109.7°
C13C12O3109.1°109.6°
C13C12C15110.9°109.2°
C12C13H13109.1°109.5°
C12C13H12109.1°109.4°
C11C12O3104.5°109.7°
C11C12C15109.8°109.3°
C12C11H11109.1°109.5°
C12C11H10109.1°109.4°
O3C12C15111.7°109.4°
C12O3C22116.6°118.7°
C12C15C16111.2°107.1°
C12C15H17109.0°109.9°
C12C15H16109.0°109.9°
O3C22C21114.8°120.0°
O3C22C17123.5°120.8°
C15C16C17114.7°116.5°
C15C16O2121.9°121.7°
C16C15H17109.0°110.0°
C16C15H16109.0°110.0°
C21C22C17121.5°119.2°
C22C21C20118.7°120.1°
C22C21H19120.7°120.0°
C22C17C16119.9°119.1°
C22C17C18119.0°120.2°
C21C20C23119.5°119.6°
C21C20C19120.4°120.7°
C20C21H19120.6°120.0°
C17C16O2123.4°121.8°
C16C17C18121.0°120.7°
C17C18C19120.2°119.6°
C17C18H18119.9°120.2°
C23C20C19120.1°119.7°
C20C23H21109.5°109.5°
C20C23H20109.5°109.5°
C20C23H22109.5°109.4°
C20C19C18120.1°120.2°
C20C19C24119.9°119.9°
C18C19C24120.0°119.9°
C19C18H18119.9°120.2°
C19C24H23109.5°109.5°
C19C24H25109.5°109.4°
C19C24H24109.5°109.5°
H13C13H12109.5°109.6°
H3C1H4109.5°109.5°
H3C1H2109.5°109.5°
H4C1H2109.5°109.4°
H9C10H8109.5°109.7°
H11C11H10109.5°109.5°
H14C14H15109.4°109.7°
H17C15H16109.5°110.0°
H21C23H20109.5°109.5°
H21C23H22109.5°109.4°
H20C23H22109.5°109.4°
H23C24H25109.5°109.5°
H23C24H24109.5°109.5°
H25C24H24109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N2N1C7H1180.0°180.0°
N1N2C8C60.5°0.0°
N2N1C7C2179.7°180.0°
N2N1C7C60.5°0.0°
N1N2C8H7179.5°180.0°
C8N2N1C70.6°0.0°
N2C8C6H7180.0°180.0°
N2C8C6C70.2°0.0°
N2C8C6C5179.4°179.6°
C8N2N1H1179.4°180.0°
N1C7C2C13.5°0.0°
N1C7C6C80.2°0.0°
N1C7C2C6179.7°180.0°
N1C7C2C3178.4°179.8°
N1C7C6C5179.8°179.7°
C1C2C7C3178.2°179.8°
C1C2C7C6176.2°180.0°
C1C2C3C4177.1°179.7°
C2C1H3H4120.0°120.0°
C2C1H3H2120.0°120.0°
C2C1H4H2120.0°120.0°
C1C2C3H52.9°0.2°
C8C6C7C2180.0°180.0°
C8C6C7C5179.6°179.7°
C8C6C5C4177.5°179.7°
C8C6C5H62.6°0.5°
C2C7C6C50.4°0.3°
C7C2C3C41.0°0.1°
C7C2C1H390.9°90.0°
C7C2C1H4149.1°150.0°
C7C2C1H229.1°30.0°
C7C2C3H5179.0°180.0°
C2C7N1H10.3°0.0°
C6C7C2C31.9°0.2°
C7C6C5C42.0°0.1°
C7C6C8H7179.8°180.0°
C7C6C5H6178.0°179.9°
C6C7N1H1179.5°180.0°
C2C3C4H5180.0°179.9°
C2C3C4C51.5°0.3°
C2C3C4C9176.9°180.0°
C3C2C1H391.0°89.8°
C3C2C1H429.0°30.3°
C3C2C1H2149.0°150.2°
C6C5C4C33.0°0.2°
C6C5C4H6180.0°179.9°
C6C5C4C9178.3°179.9°
C5C6C8H70.7°0.4°
C3C4C5C9175.3°179.7°
C3C4C9O152.7°41.5°
C3C4C9N3131.7°138.4°
C3C4C5H6177.0°179.6°
C5C4C9O1122.9°138.2°
C5C4C9N352.7°41.9°
C5C4C3H5178.5°179.8°
C4C9O1N3175.5°179.9°
C4C9N3C1422.6°5.8°
C4C9N3C10177.7°174.5°
C9C4C3H53.0°0.0°
C9C4C5H61.7°0.1°
O1C9N3C14161.8°174.1°
O1C9N3C102.1°5.6°
C9N3C14C10161.0°179.7°
C9N3C14C13104.9°126.0°
C9N3C10C11105.0°126.1°
C9N3C10H9134.7°114.2°
C9N3C10H815.3°6.3°
C9N3C14H1415.4°6.2°
C9N3C14H15134.7°114.2°
N3C14C13H14120.3°119.8°
N3C14C13H15120.3°119.8°
C14N3C10C1156.5°53.6°
N3C14C13C1254.0°54.6°
N3C14C13H1366.2°174.5°
N3C14C13H12174.2°65.3°
C14N3C10H963.8°66.1°
C14N3C10H8176.8°173.4°
N3C14H14H15119.0°120.3°
C10N3C14C1356.1°53.7°
N3C10C11H9120.3°119.7°
N3C10C11H8120.3°119.8°
N3C10C11C1254.9°54.5°
N3C10H9H8119.2°120.4°
N3C10C11H11175.1°174.5°
N3C10C11H1065.4°65.4°
C10N3C14H14176.5°173.5°
C10N3C14H1564.2°66.1°
C14C13C12H13120.2°120.0°
C14C13C12H12120.3°119.9°
C14C13C12C1153.2°61.2°
C14C13C12O361.2°59.3°
C14C13C12C15175.3°179.1°
C14C13H13H12119.3°120.1°
C13C14H14H15119.0°120.3°
C10C11C12C1353.8°61.1°
C10C11C12H11120.3°120.1°
C10C11C12H10120.2°119.9°
C10C11C12O363.4°59.3°
C10C11C12C15176.6°179.2°
C11C10H9H8119.2°120.3°
C10C11H11H10119.3°120.1°
C13C12C11O3117.3°120.4°
C13C12C11C15122.8°119.7°
C13C12O3C15123.0°119.7°
C13C12O3C2276.6°66.9°
C13C12C15C1668.1°61.1°
C12C13H13H12119.3°120.0°
C13C12C11H11174.1°178.8°
C13C12C11H1066.4°58.8°
C12C13C14H14174.3°174.4°
C12C13C14H1566.3°65.2°
C13C12C15H17171.7°58.4°
C13C12C15H1652.2°179.5°
C11C12O3C15118.7°119.9°
C11C12O3C22165.1°172.6°
C11C12C15C16169.3°179.0°
C11C12C13H1367.0°178.8°
C11C12C13H12173.4°58.8°
C12C11C10H965.4°65.3°
C12C11C10H8175.1°174.3°
C12C11H11H10119.3°120.0°
C11C12C15H1749.0°61.6°
C11C12C15H1670.4°59.5°
O3C12C15C1653.9°58.8°
C12O3C22C21163.3°157.8°
C12O3C22C1719.9°22.4°
O3C12C13H13178.6°60.7°
O3C12C13H1259.0°179.2°
O3C12C11H1156.8°60.8°
O3C12C11H10176.3°179.2°
O3C12C15H1766.4°178.3°
O3C12C15H16174.1°60.6°
C15C12O3C2246.4°52.7°
C12C15C16H17120.2°119.4°
C12C15C16H16120.3°119.4°
C12C15C16C1735.0°40.0°
C12C15C16O2148.1°140.0°
C15C12C13H1355.1°59.1°
C15C12C13H1264.4°61.0°
C15C12C11H1163.1°59.1°
C15C12C11H1056.4°60.9°
C12C15H17H16119.2°121.1°
O3C22C21C17176.8°179.9°
O3C22C21C20176.5°179.7°
O3C22C17C160.2°0.4°
O3C22C17C18176.7°179.7°
O3C22C21H193.5°0.3°
C15C16C17C229.4°11.8°
C15C16C17O2176.8°180.0°
C15C16C17C18167.4°168.3°
C16C15H17H16119.2°121.2°
C22C21C20H19180.0°179.9°
C21C22C17C16176.7°179.7°
C21C22C17C180.1°0.2°
C22C21C20C23179.6°179.9°
C22C21C20C190.2°0.0°
C17C22C21C200.3°0.1°
C22C17C16C18176.8°179.9°
C22C17C16O2173.8°168.1°
C22C17C18C190.6°0.1°
C17C22C21H19179.7°179.8°
C22C17C18H18179.4°180.0°
C21C20C23C19179.8°180.0°
C21C20C19C180.3°0.1°
C21C20C19C24179.8°179.9°
C21C20C23H2189.9°90.0°
C21C20C23H20150.1°30.1°
C21C20C23H2230.1°150.0°
C16C17C18C19176.2°179.8°
C16C17C18H183.8°0.1°
C17C16C15H1785.2°159.4°
C17C16C15H16155.3°79.4°
O2C16C17C189.5°11.8°
O2C16C15H1791.7°20.6°
O2C16C15H1627.8°100.6°
C17C18C19C200.7°0.0°
C17C18C19H18180.0°179.9°
C17C18C19C24179.4°179.9°
C23C20C19C18179.9°179.9°
C23C20C19C240.0°0.2°
C23C20C21H190.4°0.0°
C20C23H21H20120.0°120.1°
C20C23H21H22120.0°120.0°
C20C23H20H22120.0°120.0°
C20C19C18C24179.9°180.0°
C19C20C21H19179.8°180.0°
C20C19C18H18179.3°179.9°
C19C20C23H2189.9°90.0°
C19C20C23H2030.1°150.0°
C19C20C23H22150.1°30.0°
C20C19C24H2390.1°90.0°
C20C19C24H25150.0°150.0°
C20C19C24H2430.0°30.0°
C18C19C24H2390.0°90.0°
C18C19C24H2530.0°30.0°
C18C19C24H24150.0°150.0°
C24C19C18H180.6°0.1°
C19C24H23H25120.0°120.0°
C19C24H23H24120.0°120.0°
C19C24H25H24120.0°120.0°
H13C13C14H1454.1°65.7°
H13C13C14H15173.4°54.7°
H12C13C14H1465.4°54.5°
H12C13C14H1553.9°174.9°
H3C1H4H2120.0°120.0°
H9C10C11H1154.8°54.7°
H9C10C11H10174.4°174.8°
H8C10C11H1164.6°65.7°
H8C10C11H1054.9°54.4°
H21C23H20H22120.0°119.9°
H23C24H25H24120.0°120.0°

225946

PDB entries from 2024-10-09

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