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SQ8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C8C7doub1.38Å1.38ÅAromatic
C8C9sing1.39Å1.38ÅAromatic
C7Nsing1.32Å1.34ÅAromatic
C9C10doub1.39Å1.37ÅAromatic
NC6doub1.33Å1.34ÅAromatic
C10C6sing1.40Å1.39ÅAromatic
C10Fsing1.35Å1.35Å
C6C5sing1.48Å1.49Å
C5C4doub1.40Å1.39ÅAromatic
C5C11sing1.40Å1.39ÅAromatic
C4C3sing1.38Å1.38ÅAromatic
C11C12doub1.38Å1.38ÅAromatic
C3CLsing1.74Å1.74Å
C3C2doub1.40Å1.39ÅAromatic
C12C2sing1.40Å1.39ÅAromatic
C2C1sing1.48Å1.48Å
OCdoub1.22Å1.23Å
CC1sing1.46Å1.45Å
CN1sing1.35Å1.37Å
C1C13doub1.37Å1.35Å
C16O1sing1.43Å1.43Å
C16C17sing1.53Å1.52Å
O1C15sing1.43Å1.40Å
N2C17sing1.47Å1.47Å
C15C14sing1.53Å1.52Å
C15O2sing1.43Å1.41Å
C14N1sing1.46Å1.46Å
N1C19sing1.38Å1.39Å
C17C18sing1.53Å1.52Å
C13C20sing1.41Å1.43Å
C18O2sing1.43Å1.43Å
C19C20doub1.41Å1.40ÅAromatic
C19C24sing1.39Å1.38ÅAromatic
C20C21sing1.40Å1.40ÅAromatic
C24C22doub1.39Å1.38ÅAromatic
C21N3doub1.31Å1.34ÅAromatic
C22N3sing1.33Å1.34ÅAromatic
C22N4sing1.39Å1.36Å
N4C23sing1.46Å1.45Å
C21H1sing1.08Å1.08Å
C23H2sing1.09Å1.10Å
C23H3sing1.09Å1.10Å
C23H4sing1.09Å1.10Å
C24H5sing1.08Å1.08Å
N4H6sing0.97Å1.00Å
C17H7sing1.09Å1.10Å
C12H8sing1.08Å1.08Å
C11H9sing1.08Å1.08Å
C13H10sing1.08Å1.08Å
C14H11sing1.09Å1.10Å
C14H12sing1.09Å1.10Å
C15H13sing1.09Å1.10Å
C16H14sing1.09Å1.10Å
C16H15sing1.09Å1.10Å
C9H16sing1.08Å1.08Å
C8H17sing1.08Å1.08Å
C7H18sing1.08Å1.08Å
C4H19sing1.08Å1.08Å
N2H20sing1.01Å1.00Å
N2H21sing1.01Å1.00Å
C18H23sing1.09Å1.10Å
C18H24sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C7C8C9118.9°119.4°
C8C7N123.7°120.9°
C7C8H17120.6°120.3°
C8C7H18118.1°119.5°
C8C9C10118.4°118.5°
C8C9H16120.8°120.7°
C9C8H17120.6°120.3°
C7NC6116.7°121.7°
NC7H18118.2°119.6°
C9C10C6119.2°119.0°
C9C10F118.9°120.5°
C10C9H16120.8°120.8°
NC6C10123.2°120.5°
NC6C5115.6°119.8°
C6C10F121.9°120.5°
C10C6C5121.2°119.7°
C6C5C4121.2°120.0°
C6C5C11120.4°120.0°
C4C5C11118.3°120.0°
C5C4C3120.4°120.0°
C5C4H19119.8°120.0°
C5C11C12121.3°120.1°
C5C11H9119.4°120.0°
C4C3CL117.7°120.0°
C4C3C2121.5°120.0°
C3C4H19119.8°120.1°
C11C12C2120.8°120.0°
C11C12H8119.6°120.0°
C12C11H9119.3°120.0°
CLC3C2120.8°120.0°
C3C2C12117.8°120.0°
C3C2C1123.2°120.0°
C12C2C1118.8°120.0°
C2C12H8119.6°120.0°
C2C1C117.6°120.2°
C2C1C13122.9°120.2°
OCC1123.4°119.9°
OCN1118.9°119.9°
C1CN1117.7°120.2°
CC1C13119.5°119.6°
CN1C14116.4°119.7°
CN1C19123.2°120.5°
C1C13C20121.7°119.1°
C1C13H10119.1°120.4°
O1C16C17112.1°108.9°
C16O1C15111.3°113.8°
O1C16H14108.8°109.6°
O1C16H15108.8°109.5°
C16C17N2109.2°109.7°
C16C17C18111.6°108.9°
C16C17H7108.4°109.6°
C17C16H14108.8°109.6°
C17C16H15108.8°109.5°
O1C15C14112.2°109.4°
O1C15O2111.2°109.4°
O1C15H13108.5°109.5°
N2C17C18110.2°109.6°
N2C17H7109.1°109.5°
C17N2H20109.5°111.0°
C17N2H21109.5°111.0°
C14C15O2109.5°109.5°
C15C14N1110.4°109.5°
C15C14H11109.2°109.5°
C15C14H12109.2°109.4°
C14C15H13107.0°109.5°
C15O2C18111.3°113.8°
O2C15H13108.3°109.5°
C14N1C19120.4°119.8°
N1C14H11109.2°109.4°
N1C14H12109.3°109.5°
N1C19C20118.9°120.6°
N1C19C24121.1°121.1°
C17C18O2111.3°108.9°
C18C17H7108.4°109.6°
C17C18H23109.0°109.5°
C17C18H24109.0°109.5°
C13C20C19118.6°120.0°
C13C20C21125.0°121.0°
C20C13H10119.1°120.5°
O2C18H23109.0°109.6°
O2C18H24109.0°109.6°
C20C19C24120.0°118.3°
C19C20C21116.3°119.0°
C19C24C22118.9°118.9°
C19C24H5120.5°120.6°
C20C21N3124.1°120.3°
C20C21H1117.9°119.8°
C24C22N3122.8°121.3°
C24C22N4119.1°119.4°
C22C24H5120.5°120.5°
C21N3C22117.9°122.1°
N3C21H1118.0°119.9°
N3C22N4118.1°119.3°
C22N4C23122.5°120.0°
C22N4H6106.1°120.0°
N4C23H2109.5°109.5°
N4C23H3109.5°109.5°
N4C23H4109.5°109.5°
C23N4H6106.1°120.0°
H2C23H3109.5°109.5°
H2C23H4109.5°109.4°
H3C23H4109.4°109.4°
H11C14H12109.5°109.5°
H14C16H15109.5°109.6°
H20N2H21109.4°110.9°
H23C18H24109.5°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C7C8C9H17180.0°179.9°
C8C7NH18180.0°179.9°
C7C8C9C100.2°0.0°
C8C7NC60.2°0.1°
C7C8C9H16179.8°179.9°
C9C8C7N0.3°0.1°
C8C9C10H16180.0°180.0°
C8C9C10C60.8°0.0°
C8C9C10F177.9°179.7°
C9C8C7H18179.7°180.0°
C7NC6C100.5°0.0°
C7NC6C5177.3°179.8°
NC7C8H17179.7°180.0°
C9C10C6N1.0°0.0°
C9C10C6F178.6°179.7°
C9C10C6C5176.7°179.8°
C10C9C8H17179.8°180.0°
NC6C10C5177.7°179.8°
NC6C10F177.6°179.7°
NC6C5C4115.5°35.2°
NC6C5C1166.9°144.7°
C6NC7H18179.8°180.0°
C10C6C5C466.7°145.0°
C10C6C5C11110.9°35.1°
C6C10C9H16179.2°180.0°
FC10C6C54.7°0.1°
FC10C9H162.1°0.3°
C6C5C4C11177.7°179.9°
C6C5C4C3177.2°179.8°
C6C5C11C12176.7°180.0°
C6C5C11H93.3°0.1°
C6C5C4H192.8°0.0°
C5C4C3H19180.0°179.8°
C4C5C11C121.0°0.0°
C5C4C3CL179.8°180.0°
C5C4C3C20.1°0.5°
C4C5C11H9179.0°180.0°
C11C5C4C30.5°0.3°
C5C11C12H9180.0°180.0°
C5C11C12C20.9°0.0°
C5C11C12H8179.1°179.8°
C11C5C4H19179.6°180.0°
C4C3CLC2179.9°179.5°
C4C3C2C120.1°0.5°
C4C3C2C1174.7°179.4°
C11C12C2C30.4°0.3°
C11C12C2H8180.0°179.7°
C11C12C2C1174.4°179.7°
CLC3C2C12179.8°180.0°
CLC3C2C15.3°0.1°
CLC3C4H190.2°0.2°
C3C2C12C1174.8°179.9°
C3C2C1C103.5°74.8°
C3C2C1C1376.3°105.0°
C3C2C12H8179.6°180.0°
C2C3C4H19179.9°179.7°
C12C2C1C71.0°105.1°
C12C2C1C13109.2°75.0°
C2C12C11H9179.1°180.0°
C2C1CO5.3°0.0°
C2C1CC13179.9°179.9°
C2C1CN1174.4°179.8°
C2C1C13C20179.3°180.0°
C1C2C12H85.6°0.1°
C2C1C13H100.7°0.0°
OCC1N1179.6°179.8°
OCC1C13174.6°179.9°
OCN1C146.2°0.0°
OCN1C19174.1°179.9°
C1CN1C14173.4°179.8°
C1CN1C196.3°0.1°
CC1C13C200.9°0.1°
CC1C13H10179.1°179.9°
N1CC1C135.8°0.1°
CN1C14C1567.8°90.0°
CN1C14C19179.7°179.9°
CN1C19C201.6°0.1°
CN1C19C24177.1°179.9°
CN1C14H11172.1°150.1°
CN1C14H1252.4°30.0°
C1C13C20H10180.0°180.0°
C1C13C20C193.8°0.3°
C1C13C20C21178.3°180.0°
O1C16C17H14120.4°119.9°
O1C16C17H15120.4°119.8°
O1C16C17N2165.7°174.4°
C16O1C15C14173.3°178.8°
C16O1C15O263.7°58.8°
O1C16C17C1843.7°54.5°
O1C16C17H775.6°65.4°
C16O1C15H1355.3°61.2°
O1C16H14H15118.8°120.3°
C17C16O1C1553.1°58.0°
C16C17N2C18122.8°119.5°
C16C17N2H7118.3°120.3°
C16C17C18H7119.3°119.8°
C16C17C18O244.2°54.5°
C17C16H14H15118.8°120.2°
C16C17N2H20180.0°60.6°
C16C17N2H2160.0°175.5°
C16C17C18H2376.1°65.3°
C16C17C18H24164.5°174.4°
O1C15C14O2124.0°119.9°
O1C15C14H13118.9°120.0°
O1C15O2H13119.1°120.0°
O1C15C14N1165.1°60.0°
O1C15O2C1864.6°58.9°
O1C15C14H1174.8°60.0°
O1C15C14H1244.9°180.0°
C15O1C16H1467.3°177.8°
C15O1C16H15173.5°61.8°
N2C17C18H7119.3°120.2°
N2C17C18O2165.6°174.5°
N2C17C16H1445.2°65.7°
N2C17C16H1574.0°54.6°
C17N2H20H21120.0°124.0°
N2C17C18H2345.3°54.6°
N2C17C18H2474.1°65.7°
C14C15O2H13116.3°120.0°
C15C14N1H11120.2°120.0°
C15C14N1H12120.1°120.0°
C15C14N1C19111.9°90.0°
C14C15O2C18170.8°178.8°
C15C14H11H12119.5°120.0°
O2C15C14N170.9°60.0°
C15O2C18C1754.2°58.0°
O2C15C14H1149.2°180.0°
O2C15C14H12168.9°60.1°
C15O2C18H2366.1°61.8°
C15O2C18H24174.5°177.8°
C14N1C19C20178.0°180.0°
C14N1C19C243.2°0.0°
N1C14H11H12119.6°120.0°
N1C14C15H1346.2°180.0°
N1C19C20C133.5°0.3°
N1C19C20C24178.8°180.0°
N1C19C20C21178.5°180.0°
N1C19C24C22178.2°180.0°
N1C19C24H51.8°0.0°
C19N1C14H118.3°30.0°
C19N1C14H12128.0°150.0°
C17C18O2H23120.3°119.8°
C17C18O2H24120.3°119.8°
C18C17C16H1476.7°174.4°
C18C17C16H15164.1°65.3°
C18C17N2H2057.2°179.9°
C18C17N2H2162.8°56.0°
C17C18H23H24119.2°120.2°
C13C20C19C21178.1°179.8°
C13C20C19C24177.8°179.7°
C13C20C21N3178.6°179.7°
C13C20C21H11.4°0.2°
O2C18C17H775.1°65.3°
C18O2C15H1354.5°61.2°
O2C18H23H24119.1°120.4°
C20C19C24C220.6°0.0°
C19C20C21N30.7°0.0°
C19C20C21H1179.3°180.0°
C20C19C24H5179.4°180.0°
C19C20C13H10176.2°179.7°
C24C19C20C210.3°0.0°
C19C24C22H5180.0°180.0°
C19C24C22N30.2°0.0°
C19C24C22N4180.0°179.9°
C20C21N3H1180.0°179.9°
C20C21N3C221.4°0.0°
C21C20C13H101.7°0.0°
C24C22N3C211.1°0.0°
C24C22N3N4179.8°180.0°
C24C22N4C230.8°0.0°
C24C22N4H6122.6°180.0°
C21N3C22N4179.1°180.0°
N3C22N4C23179.0°180.0°
C22N3C21H1178.6°179.9°
N3C22C24H5179.8°180.0°
N3C22N4H657.2°0.0°
C22N4C23H6121.8°180.0°
C22N4C23H2180.0°60.0°
C22N4C23H360.0°180.0°
C22N4C23H460.0°60.0°
N4C22C24H50.0°0.0°
N4C23H2H3120.0°120.1°
N4C23H2H4120.0°120.0°
N4C23H3H4119.9°120.0°
H2C23H3H4120.0°119.9°
H2C23N4H658.2°120.1°
H3C23N4H6178.2°0.0°
H4C23N4H661.8°120.0°
H7C17C16H14164.0°54.5°
H7C17C16H1544.8°174.8°
H7C17N2H2061.7°59.7°
H7C17N2H21178.3°64.2°
H7C17C18H23164.6°174.9°
H7C17C18H2445.2°54.6°
H8C12C11H91.0°0.3°
H11C14C15H13166.3°60.0°
H12C14C15H1374.0°60.0°
H16C9C8H170.2°0.0°
H17C8C7H180.3°0.1°

223790

PDB entries from 2024-08-14

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