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AJN

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1sing1.53Å1.51Å
OC1sing1.46Å1.46Å
OC12sing1.34Å1.36Å
C1C2sing1.53Å1.52Å
C12C11doub1.34Å1.33Å
C11C10sing1.50Å1.51Å
C11C13sing1.42Å1.49Å
C10C2sing1.53Å1.54Å
C10C9sing1.53Å1.53Å
C2C3sing1.53Å1.54Å
C13O1doub1.22Å1.21Å
C13O2sing1.35Å1.34Å
C3Nsing1.47Å1.47Å
O2C14sing1.43Å1.45Å
C9C8sing1.53Å1.52Å
C8Nsing1.47Å1.48Å
C8C7sing1.51Å1.49Å
NC4sing1.47Å1.47Å
C4C5sing1.53Å1.53Å
C7N1sing1.37Å1.39ÅAromatic
C7C6doub1.35Å1.35ÅAromatic
N1C15sing1.37Å1.38ÅAromatic
C5C6sing1.51Å1.51Å
C6C20sing1.45Å1.44ÅAromatic
C15C20doub1.42Å1.41ÅAromatic
C15C16sing1.39Å1.40ÅAromatic
C20C19sing1.40Å1.39ÅAromatic
C16C17doub1.38Å1.39ÅAromatic
C19C18doub1.37Å1.39ÅAromatic
C17C18sing1.39Å1.39ÅAromatic
C14H1sing1.09Å1.10Å
C14H2sing1.09Å1.10Å
C14H3sing1.09Å1.10Å
C12H4sing1.08Å1.08Å
C1H5sing1.09Å1.10Å
CH6sing1.09Å1.10Å
CH7sing1.09Å1.10Å
CH8sing1.09Å1.10Å
C10H9sing1.09Å1.10Å
C2H10sing1.09Å1.10Å
C9H11sing1.09Å1.10Å
C9H12sing1.09Å1.10Å
C8H13sing1.09Å1.10Å
C3H15sing1.09Å1.10Å
C3H16sing1.09Å1.10Å
N1H17sing0.97Å1.00Å
C5H18sing1.09Å1.10Å
C5H19sing1.09Å1.10Å
C4H20sing1.09Å1.10Å
C4H21sing1.09Å1.10Å
C19H22sing1.08Å1.08Å
C18H23sing1.08Å1.08Å
C17H24sing1.08Å1.08Å
C16H25sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CC1O108.7°109.8°
CC1C2114.6°109.8°
CC1H5106.3°109.9°
C1CH6109.5°109.5°
C1CH7109.5°109.5°
C1CH8109.5°109.5°
C1OC12116.4°118.7°
OC1C2113.5°107.7°
OC1H5106.9°109.9°
OC12C11125.0°123.8°
OC12H4117.5°118.1°
C1C2C10105.6°108.0°
C1C2C3115.4°112.2°
C2C1H5106.3°109.8°
C1C2H10109.2°109.4°
C12C11C10120.4°120.8°
C12C11C13119.4°119.7°
C11C12H4117.5°118.1°
C10C11C13120.1°119.6°
C11C10C2108.3°109.0°
C11C10C9114.1°112.8°
C11C10H9107.9°108.9°
C11C13O1124.5°119.9°
C11C13O2112.9°120.0°
C2C10C9111.1°108.9°
C10C2C3108.5°108.8°
C2C10H9107.5°108.7°
C10C2H10108.9°109.3°
C10C9C8108.3°108.0°
C9C10H9107.6°108.5°
C10C9H11109.7°109.7°
C10C9H12109.8°109.8°
C2C3N112.1°108.1°
C3C2H10109.0°109.1°
C2C3H15108.8°109.7°
C2C3H16108.8°109.7°
O1C13O2122.6°120.0°
C13O2C14115.6°117.0°
C3NC8109.4°112.1°
C3NC4111.0°111.9°
NC3H15108.8°109.8°
NC3H16108.8°109.6°
O2C14H1109.5°109.5°
O2C14H2109.5°109.5°
O2C14H3109.5°109.5°
C9C8N109.1°110.2°
C9C8C7113.3°109.9°
C8C9H11109.8°109.8°
C8C9H12109.8°109.7°
C9C8H13108.3°109.4°
NC8C7108.5°108.5°
C8NC4111.6°111.8°
NC8H13108.9°109.4°
C8C7N1124.0°127.5°
C8C7C6126.0°122.7°
C7C8H13108.7°109.3°
NC4C5112.4°109.5°
NC4H20108.7°109.5°
NC4H21108.7°109.5°
C4C5C6108.8°108.3°
C4C5H18109.6°109.7°
C4C5H19109.6°109.7°
C5C4H20108.7°109.5°
C5C4H21108.7°109.5°
N1C7C6110.0°109.8°
C7N1C15108.2°109.8°
C7N1H17125.9°125.1°
C7C6C5121.4°123.7°
C7C6C20107.6°107.1°
N1C15C20108.2°107.3°
N1C15C16130.4°132.1°
C15N1H17125.9°125.1°
C5C6C20130.9°129.3°
C6C5H18109.6°109.7°
C6C5H19109.6°109.7°
C6C20C15106.1°106.0°
C6C20C19135.2°132.8°
C20C15C16121.4°120.6°
C15C20C19118.7°121.3°
C15C16C17118.5°117.0°
C15C16H25120.8°121.5°
C20C19C18119.9°116.9°
C20C19H22120.0°121.6°
C16C17C18120.8°122.2°
C16C17H24119.6°118.9°
C17C16H25120.8°121.5°
C19C18C17120.8°122.1°
C18C19H22120.1°121.6°
C19C18H23119.6°119.0°
C17C18H23119.6°118.9°
C18C17H24119.6°118.9°
H1C14H2109.5°109.4°
H1C14H3109.5°109.5°
H2C14H3109.4°109.5°
H6CH7109.5°109.5°
H6CH8109.4°109.4°
H7CH8109.5°109.4°
H11C9H12109.5°109.9°
H15C3H16109.5°109.8°
H18C5H19109.5°109.7°
H20C4H21109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CC1OC2128.8°119.5°
CC1OH5114.4°120.9°
CC1OC1297.2°77.0°
CC1C2H5117.1°120.9°
CC1C2C1066.6°56.5°
CC1C2C353.3°63.4°
C1CH6H7120.0°120.1°
C1CH6H8120.0°120.0°
C1CH7H8120.0°120.0°
CC1C2H10176.5°175.4°
OC1C2H5117.2°119.6°
C1OC12C110.8°11.4°
OC1C2C1059.1°63.0°
OC1C2C3179.0°177.1°
C1OC12H4179.3°168.7°
OC1CH6180.0°60.0°
OC1CH760.0°180.0°
OC1CH860.0°60.0°
OC1C2H1057.8°55.9°
C12OC1C231.5°42.5°
OC12C11H4180.0°179.9°
OC12C11C101.4°0.9°
OC12C11C13174.9°179.4°
C12OC1H5148.4°162.1°
C1C2C10C1156.5°53.1°
C1C2C10C3124.3°122.1°
C1C2C10H10117.2°118.9°
C1C2C10C9177.4°176.5°
C1C2C3H10123.3°121.4°
C1C2C3N173.1°179.9°
C2C1CH651.8°58.2°
C2C1CH7171.8°61.8°
C2C1CH868.2°178.2°
C1C2C10H959.9°65.5°
C1C2C3H1566.5°60.2°
C1C2C3H1652.7°60.5°
C12C11C10C13176.3°179.7°
C12C11C10C231.1°23.1°
C12C11C10C9155.4°144.2°
C12C11C13O1143.4°6.3°
C12C11C13O238.4°174.0°
C12C11C10H985.1°95.3°
C11C10C2C9126.1°123.4°
C11C10C2H9116.4°118.6°
C11C10C9H9119.7°120.8°
C11C10C2C3179.2°175.2°
C10C11C13O140.2°174.0°
C10C11C13O2137.9°5.7°
C11C10C9C8179.3°179.6°
C10C11C12H4178.6°179.1°
C11C10C2H1060.7°65.8°
C11C10C9H1159.5°60.0°
C11C10C9H1260.8°60.8°
C13C11C10C2145.3°157.1°
C13C11C10C920.9°36.1°
C11C13O1O2178.0°179.7°
C11C13O2C14179.5°179.7°
C13C11C12H45.1°0.6°
C13C11C10H998.6°84.4°
C2C10C9H9117.4°118.2°
C10C2C3H10118.4°119.2°
C10C2C3N54.8°60.6°
C2C10C9C857.8°59.3°
C10C2C1H5176.3°177.4°
C2C10C9H11177.6°178.9°
C2C10C9H1262.0°60.3°
C10C2C3H15175.2°179.6°
C10C2C3H1665.6°58.9°
C9C10C2C353.1°61.4°
C10C9C8H11119.8°119.6°
C10C9C8H12119.8°119.6°
C10C9C8N62.8°58.5°
C10C9C8C7176.2°178.1°
C9C10C2H1065.4°57.6°
C10C9H11H12120.6°120.8°
C10C9C8H1355.5°61.8°
C2C3NH15120.4°119.7°
C2C3NH16120.4°119.6°
C2C3NC861.3°61.1°
C2C3NC4175.2°172.4°
C3C2C1H563.8°57.5°
C3C2C10H964.4°56.6°
C2C3H15H16118.8°120.7°
O1C13O2C142.3°0.0°
C13O2C14H1180.0°180.0°
C13O2C14H260.0°60.0°
C13O2C14H360.0°60.0°
C3NC8C964.8°60.7°
C3NC8C4123.1°126.6°
C3NC8C7171.4°178.8°
C3NC4C5170.6°162.5°
NC3C2H1063.6°58.6°
C3NC8H1353.3°59.6°
NC3H15H16118.8°120.6°
C3NC4H2050.2°42.5°
C3NC4H2169.0°77.4°
O2C14H1H2120.0°120.0°
O2C14H1H3120.0°120.0°
O2C14H2H3120.0°120.0°
C9C8NC7123.9°120.5°
C9C8NH13118.0°120.4°
C9C8C7H13120.5°120.1°
C9C8NC4172.1°172.7°
C9C8C7N145.6°41.8°
C9C8C7C6136.5°138.1°
C8C9C10H959.6°58.9°
C8C9H11H12120.5°120.7°
NC8C7H13118.2°119.2°
C8NC4C567.2°70.8°
NC8C7N1166.9°162.4°
NC8C7C615.2°17.4°
NC8C9H11177.4°178.1°
NC8C9H1257.0°61.1°
C8NC3H15178.3°179.2°
C8NC3H1659.1°58.5°
C8NC4H20172.4°169.2°
C8NC4H2153.2°49.3°
C7C8NC448.2°52.2°
C8C7N1C6178.2°179.9°
C8C7N1C15177.9°179.9°
C8C7C6C52.4°0.0°
C8C7C6C20178.5°180.0°
C7C8C9H1156.4°62.3°
C7C8C9H1264.0°58.5°
C8C7N1H172.1°0.1°
NC4C5H20120.4°120.0°
NC4C5H21120.4°120.0°
NC4C5C645.3°47.7°
C4NC8H1369.9°66.9°
C4NC3H1554.8°52.7°
C4NC3H1664.4°68.0°
NC4C5H1874.5°167.4°
NC4C5H19165.2°72.0°
NC4H20H21118.6°119.9°
C4C5C6C712.1°15.0°
C4C5C6H18119.9°119.7°
C4C5C6H19119.9°119.7°
C4C5C6C20163.0°165.1°
C4C5H18H19120.3°120.6°
C5C4H20H21118.7°120.0°
C7N1C15H17180.0°180.0°
N1C7C6C5175.7°179.9°
N1C7C6C200.3°0.1°
C7N1C15C200.8°0.1°
C7N1C15C16177.5°179.9°
N1C7C8H1374.9°78.4°
C6C7N1C150.3°0.0°
C7C6C5C20175.0°180.0°
C7C6C20C150.8°0.2°
C7C6C20C19178.8°179.9°
C6C7C8H13103.0°101.8°
C6C7N1H17179.7°180.0°
C7C6C5H18107.8°134.7°
C7C6C5H19132.0°104.7°
N1C15C20C61.0°0.2°
N1C15C20C16178.5°180.0°
N1C15C20C19179.4°179.8°
N1C15C16C17178.7°179.9°
N1C15C16H251.3°0.1°
C5C6C20C15174.7°179.8°
C5C6C20C193.3°0.2°
C6C5H18H19120.3°120.6°
C6C5C4H20165.8°167.7°
C6C5C4H2175.1°72.3°
C6C20C15C19178.4°180.0°
C6C20C15C16177.5°179.8°
C6C20C19C18177.3°179.8°
C20C6C5H1877.1°45.3°
C20C6C5H1943.1°75.2°
C6C20C19H222.7°0.1°
C20C15C16C170.5°0.1°
C15C20C19C180.6°0.1°
C20C15N1H17179.2°179.9°
C15C20C19H22179.4°179.9°
C20C15C16H25179.4°179.9°
C16C15C20C190.9°0.2°
C15C16C17H25180.0°180.0°
C15C16C17C180.1°0.0°
C16C15N1H172.5°0.1°
C15C16C17H24179.9°180.0°
C20C19C18H22180.0°179.9°
C20C19C18C170.1°0.0°
C20C19C18H23180.0°180.0°
C16C17C18C190.5°0.1°
C16C17C18H24180.0°179.9°
C16C17C18H23179.6°179.9°
C19C18C17H23180.0°179.9°
C19C18C17H24179.5°180.0°
C17C18C19H22179.9°179.9°
C18C17C16H25179.9°180.0°
H1C14H2H3120.0°120.0°
H5C1CH665.3°179.1°
H5C1CH754.7°59.0°
H5C1CH8174.8°60.9°
H5C1C2H1059.4°63.7°
H6CH7H8120.0°119.9°
H9C10C2H10177.1°175.6°
H9C10C9H1160.2°60.7°
H9C10C9H12179.4°178.4°
H10C2C3H1556.8°61.2°
H10C2C3H16176.0°178.1°
H11C9C8H1364.3°57.8°
H12C9C8H13175.4°178.6°
H18C5C4H2045.9°72.6°
H18C5C4H21165.0°47.4°
H19C5C4H2074.4°48.0°
H19C5C4H2144.8°168.0°
H22C19C18H230.0°0.1°
H23C18C17H240.4°0.1°
H24C17C16H250.1°0.0°

218500

PDB entries from 2024-04-17

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