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8DJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C11C12doub1.38Å1.39ÅAromatic
C11C10sing1.39Å1.40ÅAromatic
C12N1sing1.32Å1.34ÅAromatic
C10C9doub1.39Å1.39ÅAromatic
N1C8doub1.32Å1.36ÅAromatic
C9C8sing1.38Å1.40ÅAromatic
C8C7sing1.51Å1.51Å
C7Nsing1.46Å1.44Å
NC6sing1.35Å1.33Å
OC6doub1.22Å1.23Å
C6C5sing1.48Å1.50Å
FCsing1.35Å1.34Å
C5Cdoub1.40Å1.38ÅAromatic
C5C4sing1.40Å1.39ÅAromatic
CC1sing1.38Å1.40ÅAromatic
C4C3doub1.38Å1.40ÅAromatic
C1C2doub1.38Å1.40ÅAromatic
O3C23sing1.44Å1.44Å
O3C24sing1.37Å1.36Å
C3C2sing1.38Å1.40ÅAromatic
C3C13sing1.51Å1.50Å
C18C17sing1.53Å1.52Å
C18O1sing1.43Å1.41Å
C25C24doub1.39Å1.39ÅAromatic
C25C19sing1.39Å1.40ÅAromatic
C23O2sing1.44Å1.43Å
C24C22sing1.39Å1.36ÅAromatic
C17C13sing1.53Å1.54Å
C17C16sing1.53Å1.51Å
C13C14sing1.53Å1.54Å
O1C19sing1.36Å1.37Å
C19C20doub1.39Å1.40ÅAromatic
C14C15sing1.53Å1.51Å
C22O2sing1.37Å1.36Å
C22C21doub1.38Å1.38ÅAromatic
C16N2sing1.47Å1.47Å
N2C15sing1.47Å1.47Å
C20C21sing1.38Å1.40ÅAromatic
NH1sing0.97Å1.00Å
C7H2sing1.09Å1.10Å
C7H3sing1.09Å1.10Å
C12H4sing1.08Å1.08Å
C11H5sing1.08Å1.08Å
C10H6sing1.08Å1.08Å
C9H7sing1.08Å1.08Å
C4H8sing1.08Å1.08Å
C2H9sing1.08Å1.08Å
C1H10sing1.08Å1.08Å
C13H11sing1.09Å1.10Å
C17H12sing1.09Å1.10Å
C16H13sing1.09Å1.10Å
C16H14sing1.09Å1.10Å
N2H15sing1.01Å1.00Å
C15H17sing1.09Å1.10Å
C15H18sing1.09Å1.10Å
C14H19sing1.09Å1.10Å
C14H20sing1.09Å1.10Å
C18H21sing1.09Å1.10Å
C18H22sing1.09Å1.10Å
C25H23sing1.08Å1.08Å
C23H24sing1.09Å1.10Å
C21H25sing1.08Å1.08Å
C20H26sing1.08Å1.08Å
C23H16sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C12C11C10120.5°119.2°
C11C12N1119.2°120.7°
C11C12H4120.4°119.6°
C12C11H5119.8°120.4°
C11C10C9119.6°118.4°
C10C11H5119.7°120.4°
C11C10H6120.2°120.8°
C12N1C8121.9°121.8°
N1C12H4120.4°119.6°
C10C9C8118.2°119.1°
C9C10H6120.2°120.8°
C10C9H7120.9°120.4°
N1C8C9120.6°120.8°
N1C8C7117.2°119.6°
C9C8C7122.1°119.6°
C8C9H7120.9°120.5°
C8C7N111.6°109.5°
C8C7H2109.0°109.5°
C8C7H3109.0°109.4°
C7NC6122.8°120.0°
C7NH1118.6°120.0°
NC7H2108.9°109.5°
NC7H3108.9°109.5°
NC6O123.8°120.0°
NC6C5117.1°120.0°
C6NH1118.6°120.0°
OC6C5118.8°120.0°
C6C5C121.6°120.2°
C6C5C4118.1°120.1°
FCC5119.6°120.1°
FCC1121.1°120.1°
CC5C4120.2°119.7°
C5CC1119.2°119.8°
C5C4C3121.7°119.9°
C5C4H8119.2°120.1°
CC1C2120.6°120.1°
CC1H10119.7°120.0°
C4C3C2117.9°120.2°
C4C3C13121.4°119.9°
C3C4H8119.2°120.1°
C1C2C3120.4°120.3°
C1C2H9119.8°119.8°
C2C1H10119.7°119.9°
C23O3C24109.1°105.5°
O3C23O2103.8°103.7°
O3C23H24110.8°110.5°
O3C23H16110.9°110.6°
O3C24C25128.5°131.5°
O3C24C22108.6°108.7°
C2C3C13120.7°119.9°
C3C2H9119.8°119.9°
C3C13C17113.1°109.5°
C3C13C14111.3°109.5°
C3C13H11108.1°109.5°
C17C18O1109.9°109.5°
C18C17C13116.7°109.5°
C18C17C16107.6°109.5°
C18C17H12108.0°109.5°
C17C18H21109.3°109.5°
C17C18H22109.4°109.5°
C18O1C19126.7°117.0°
O1C18H21109.4°109.5°
O1C18H22109.3°109.5°
C24C25C19117.4°120.0°
C25C24C22122.9°119.8°
C24C25H23121.3°120.0°
C25C19O1124.4°120.0°
C25C19C20119.7°120.0°
C19C25H23121.3°120.0°
C23O2C22108.0°105.5°
O2C23H24110.9°110.6°
O2C23H16110.9°110.6°
C24C22O2110.2°108.6°
C24C22C21120.9°120.0°
C13C17C16108.4°109.3°
C17C13C14109.0°109.2°
C17C13H11107.5°109.6°
C13C17H12107.8°109.5°
C17C16N2107.5°109.5°
C16C17H12108.1°109.5°
C17C16H13110.0°109.4°
C17C16H14109.9°109.5°
C13C14C15112.1°109.3°
C14C13H11107.6°109.5°
C13C14H19108.8°109.5°
C13C14H20108.8°109.5°
O1C19C20115.9°120.0°
C19C20C21121.3°120.1°
C19C20H26119.3°120.0°
C14C15N2110.3°109.5°
C14C15H17109.3°109.5°
C14C15H18109.3°109.4°
C15C14H19108.8°109.6°
C15C14H20108.8°109.5°
O2C22C21128.9°131.4°
C22C21C20117.8°120.1°
C22C21H25121.1°120.0°
C16N2C15112.3°111.2°
N2C16H13109.9°109.5°
N2C16H14110.0°109.5°
C16N2H15108.8°111.0°
C15N2H15108.7°111.0°
N2C15H17109.3°109.5°
N2C15H18109.3°109.4°
C20C21H25121.1°119.9°
C21C20H26119.4°119.9°
H2C7H3109.5°109.5°
H13C16H14109.5°109.4°
H17C15H18109.5°109.5°
H19C14H20109.4°109.5°
H21C18H22109.5°109.4°
H24C23H16109.5°110.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C12C11C10H5180.0°179.9°
C11C12N1H4180.0°179.9°
C12C11C10C90.2°0.2°
C11C12N1C80.7°0.0°
C12C11C10H6179.8°180.0°
C10C11C12N10.3°0.1°
C11C10C9H6180.0°179.8°
C11C10C9C80.2°0.5°
C10C11C12H4179.7°180.0°
C11C10C9H7179.9°180.0°
C12N1C8C90.7°0.3°
C12N1C8C7179.5°180.0°
N1C12C11H5179.7°180.0°
C10C9C8N10.3°0.6°
C10C9C8H7180.0°179.5°
C10C9C8C7178.9°179.8°
C9C10C11H5179.8°179.7°
N1C8C9C7178.7°179.7°
N1C8C7N154.0°85.0°
N1C8C7H285.6°155.0°
N1C8C7H333.7°35.1°
C8N1C12H4179.3°180.0°
N1C8C9H7179.7°180.0°
C9C8C7N27.2°94.7°
C9C8C7H293.1°25.3°
C9C8C7H3147.5°145.3°
C8C9C10H6179.8°179.7°
C8C7NH2120.3°120.0°
C8C7NH3120.3°120.0°
C8C7NC682.9°180.0°
C8C7NH197.1°0.0°
C8C7H2H3119.1°119.9°
C7C8C9H71.0°0.3°
C7NC6H1180.0°180.0°
C7NC6O6.3°0.0°
C7NC6C5168.5°179.7°
NC7H2H3119.0°120.1°
NC6OC5174.8°179.7°
NC6C5C133.8°179.8°
NC6C5C448.2°0.5°
C6NC7H2156.8°60.0°
C6NC7H337.4°60.0°
OC6C5C51.1°0.1°
OC6C5C4126.9°179.8°
OC6NH1173.7°180.0°
C6C5CF1.4°0.0°
C6C5CC4178.0°179.7°
C6C5CC1178.5°180.0°
C6C5C4C3178.8°180.0°
C5C6NH111.4°0.3°
C6C5C4H81.1°0.0°
FCC5C1179.9°179.9°
FCC5C4179.4°179.7°
FCC1C2180.0°180.0°
FCC1H100.0°0.1°
CC5C4C30.8°0.3°
C5CC1C20.1°0.1°
CC5C4H8179.2°179.7°
C5CC1H10179.9°180.0°
C4C5CC10.5°0.3°
C5C4C3H8180.0°180.0°
C5C4C3C20.5°0.1°
C5C4C3C13179.0°180.0°
CC1C2H10180.0°179.9°
CC1C2C30.5°0.3°
CC1C2H9179.6°179.9°
C4C3C2C10.2°0.3°
C4C3C2C13179.5°180.0°
C4C3C13C1775.2°120.3°
C4C3C13C1448.0°120.0°
C4C3C2H9179.9°180.0°
C4C3C13H11165.9°0.1°
C1C2C3H9180.0°179.6°
C1C2C3C13179.6°179.7°
C23O3C24C25177.7°162.7°
O3C23O2H24119.1°118.5°
O3C23O2H16119.1°118.5°
C23O3C24C222.9°17.3°
O3C23O2C224.8°27.1°
O3C23H24H16122.6°122.8°
O3C24C25C22179.3°179.9°
O3C24C25C19179.7°180.0°
C24O3C23O24.7°27.1°
O3C24C22O20.2°0.0°
O3C24C22C21179.6°180.0°
O3C24C25H230.3°0.1°
C24O3C23H24123.8°145.7°
C24O3C23H16114.4°91.4°
C2C3C13C17104.3°59.7°
C2C3C13C14132.6°60.0°
C2C3C4H8179.5°180.0°
C3C2C1H10179.5°179.7°
C2C3C13H1114.7°179.8°
C3C13C17C1855.2°62.5°
C3C13C17C14124.4°119.9°
C3C13C17H11119.2°120.2°
C3C13C17C16176.9°177.5°
C3C13C14H11118.2°120.1°
C3C13C14C15178.4°177.6°
C13C3C4H81.0°0.0°
C13C3C2H90.4°0.1°
C3C13C17H1266.3°57.6°
C3C13C14H1958.0°57.6°
C3C13C14H2061.2°62.5°
C17C18O1H21120.1°120.0°
C17C18O1H22120.1°120.0°
C18C17C13C16121.6°119.9°
C18C17C13H12121.6°120.1°
C18C17C16H12116.4°120.1°
C18C17C13C14179.6°177.6°
C17C18O1C19157.6°180.0°
C18C17C16N2168.9°179.1°
C18C17C13H1164.0°57.6°
C18C17C16H1371.4°59.1°
C18C17C16H1449.2°60.8°
C17C18H21H22119.8°120.0°
C18O1C19C257.9°179.7°
O1C18C17C1356.6°175.0°
O1C18C17C1665.5°65.2°
C18O1C19C20172.7°0.0°
O1C18C17H12178.1°54.9°
O1C18H21H22119.8°120.0°
C24C25C19H23180.0°179.9°
C24C25C19O1179.9°180.0°
C24C25C19C200.6°0.4°
C25C24C22O2179.2°180.0°
C25C24C22C211.0°0.0°
C19C25C24C221.0°0.1°
C25C19O1C20179.3°179.7°
C25C19C20C210.4°0.6°
C25C19C20H26179.6°179.7°
C23O2C22C243.3°17.3°
C23O2C22C21176.5°162.7°
O2C23H24H16122.6°122.9°
C24C22O2C21179.8°180.0°
C24C22C21C200.7°0.3°
C22C24C25H23179.0°180.0°
C24C22C21H25179.4°180.0°
C13C17C16H12116.6°120.0°
C17C13C14H11116.3°120.0°
C17C13C14C1552.9°57.7°
C13C17C16N264.1°59.2°
C13C17C16H1355.6°60.8°
C13C17C16H14176.2°179.2°
C17C13C14H1967.5°62.3°
C17C13C14H20173.3°177.6°
C13C17C18H2163.5°65.0°
C13C17C18H22176.6°55.0°
C16C17C13C1458.7°57.6°
C17C16N2H13119.7°120.0°
C17C16N2H14119.7°120.0°
C17C16N2C1564.8°61.7°
C16C17C13H1157.6°62.3°
C17C16H13H14120.9°119.9°
C17C16N2H15174.7°174.2°
C16C17C18H21174.5°54.8°
C16C17C18H2254.6°174.8°
C13C14C15H19120.4°120.0°
C13C14C15H20120.4°119.9°
C13C14C15N251.9°59.2°
C14C13C17H1258.1°62.3°
C13C14C15H17172.0°60.8°
C13C14C15H1868.3°179.2°
C13C14H19H20118.8°120.0°
O1C19C20C21179.7°179.7°
C19O1C18H2182.3°60.0°
C19O1C18H2237.6°60.0°
O1C19C25H230.0°0.1°
O1C19C20H260.2°0.0°
C19C20C21C220.4°0.6°
C19C20C21H26180.0°179.7°
C20C19C25H23179.3°179.7°
C19C20C21H25179.6°179.7°
C14C15N2C1658.4°61.8°
C14C15N2H17120.2°120.1°
C14C15N2H18120.1°120.0°
C15C14C13H1163.4°62.3°
C14C15N2H15178.8°174.2°
C14C15H17H18119.6°120.0°
C15C14H19H20118.8°120.2°
O2C22C21C20179.6°179.7°
C22O2C23H24123.9°145.6°
O2C22C21H250.4°0.0°
C22O2C23H16114.3°91.4°
C22C21C20H25180.0°179.7°
C22C21C20H26179.6°179.7°
C16N2C15H15120.5°124.0°
N2C16C17H1252.5°60.8°
N2C16H13H14120.9°120.0°
C16N2C15H17178.5°58.3°
C16N2C15H1861.7°178.3°
C15N2C16H1354.9°58.2°
C15N2C16H14175.5°178.2°
N2C15H17H18119.6°120.0°
N2C15C14H1968.6°60.7°
N2C15C14H20172.3°179.1°
H1NC7H223.2°120.0°
H1NC7H3142.6°120.0°
H4C12C11H50.3°0.1°
H5C11C10H60.2°0.1°
H6C10C9H70.2°0.2°
H9C2C1H100.4°0.0°
H11C13C17H12174.4°177.8°
H11C13C14H19176.2°177.7°
H11C13C14H2057.0°57.7°
H12C17C16H13172.2°179.2°
H12C17C16H1467.2°59.3°
H12C17C18H2158.0°174.9°
H12C17C18H2261.9°65.1°
H13C16N2H1565.6°65.8°
H14C16N2H1555.0°54.2°
H15N2C15H1761.0°65.7°
H15N2C15H1858.7°54.2°
H17C15C14H1951.6°179.2°
H17C15C14H2067.6°59.0°
H18C15C14H19171.3°59.2°
H18C15C14H2052.1°60.9°
H25C21C20H260.4°0.0°

223166

PDB entries from 2024-07-31

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