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VE9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C1doub1.22Å1.22Å
C1N1sing1.35Å1.35Å
N1C2sing1.40Å1.40Å
C2C3doub1.37Å1.41Å
C3C4sing1.40Å1.40Å
C4C5doub1.35Å1.36Å
C5N2sing1.36Å1.38Å
N2C6sing1.47Å1.46Å
C6C7sing1.53Å1.48Å
C7C8sing1.53Å1.49Å
C8F1sing1.40Å1.36Å
N2C9sing1.35Å1.39Å
C9O2doub1.22Å1.25Å
C1C10sing1.47Å1.50Å
C10C11doub1.39Å1.38ÅAromatic
C11C12sing1.41Å1.39ÅAromatic
C12C13doub1.39Å1.39ÅAromatic
C13N3sing1.34Å1.36ÅAromatic
N3C14sing1.46Å1.45Å
C14C15sing1.55Å1.53Å
C15C16sing1.55Å1.54Å
C16O3sing1.46Å1.41Å
O3C17sing1.47Å1.42Å
C16C18sing1.53Å1.52Å
C16C19sing1.56Å1.55Å
N3N4sing1.40Å1.38ÅAromatic
C12C20sing1.47Å1.42ÅAromatic
C20N5sing1.35Å1.36ÅAromatic
N5C21doub1.31Å1.32ÅAromatic
C21O4sing1.35Å1.37Å
O4C22sing1.43Å1.44Å
C22C23sing1.53Å1.50Å
C22C24sing1.53Å1.51Å
C2C9sing1.41Å1.39Å
C6C8sing1.53Å1.49Å
C10C21sing1.41Å1.43ÅAromatic
C14C17sing1.57Å1.52Å
C14C19sing1.56Å1.56Å
N4C20doub1.32Å1.34ÅAromatic
N1H1sing0.97Å1.00Å
C4H3sing1.08Å1.08Å
C5H4sing1.08Å1.08Å
C6H5sing1.09Å1.10Å
C7H6sing1.09Å1.10Å
C7H7sing1.09Å1.10Å
C8H8sing1.09Å1.10Å
C13H10sing1.08Å1.08Å
C15H11sing1.09Å1.10Å
C15H12sing1.09Å1.10Å
C17H13sing1.09Å1.10Å
C17H14sing1.09Å1.10Å
C22H20sing1.09Å1.10Å
C24H25sing1.09Å1.10Å
C24H26sing1.09Å1.10Å
C24H24sing1.09Å1.10Å
C11H9sing1.08Å1.08Å
C18H17sing1.09Å1.10Å
C18H15sing1.09Å1.10Å
C18H16sing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C19H18sing1.09Å1.10Å
C23H22sing1.09Å1.10Å
C23H21sing1.09Å1.10Å
C23H23sing1.09Å1.10Å
C3H2sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C1N1122.5°120.1°
O1C1C10120.4°120.0°
C1N1C2127.8°120.0°
N1C1C10116.6°120.0°
C1N1H1116.1°120.0°
N1C2C3125.7°120.4°
N1C2C9115.2°120.4°
C2N1H1116.1°120.0°
C2C3C4119.3°119.2°
C3C2C9119.1°119.2°
C2C3H2120.3°120.4°
C3C4C5121.0°120.0°
C3C4H3119.5°120.0°
C4C3H2120.3°120.4°
C4C5N2119.7°120.9°
C5C4H3119.5°120.0°
C4C5H4120.2°119.6°
C5N2C6120.8°119.7°
C5N2C9121.6°120.8°
N2C5H4120.2°119.6°
N2C6C7119.4°117.5°
C6N2C9117.5°119.6°
N2C6C8117.9°117.5°
N2C6H5116.2°115.6°
C6C7C860.0°60.0°
C7C6C860.2°60.0°
C7C6H5115.8°117.5°
C6C7H6120.0°117.5°
C6C7H7120.0°117.5°
C7C8F1120.2°117.5°
C7C8C659.8°60.0°
C8C7H6120.0°117.5°
C8C7H7120.0°117.5°
C7C8H8114.5°117.5°
F1C8C6118.3°117.5°
F1C8H8117.1°115.5°
N2C9O2118.5°120.0°
N2C9C2119.2°119.9°
O2C9C2122.2°120.0°
C1C10C11115.8°119.9°
C1C10C21124.7°119.9°
C10C11C12118.8°117.9°
C11C10C21119.5°120.2°
C10C11H9120.6°121.1°
C11C12C13135.6°134.7°
C11C12C20118.7°118.8°
C12C11H9120.6°121.0°
C12C13N3105.1°107.7°
C13C12C20105.7°106.5°
C12C13H10127.4°126.2°
C13N3C14129.0°125.0°
C13N3N4114.1°110.0°
N3C13H10127.5°126.1°
N3C14C15121.7°121.3°
C14N3N4116.8°125.0°
N3C14C17117.5°118.7°
N3C14C19119.7°120.4°
C14C15C1679.2°81.3°
C15C14C17105.3°101.3°
C15C14C1985.2°81.6°
C14C15H11116.4°114.5°
C14C15H12116.4°114.6°
C15C16O3104.8°104.0°
C15C16C18126.1°119.6°
C15C16C1985.2°81.8°
C16C15H11116.4°114.5°
C16C15H12116.4°114.6°
C16O3C17102.6°102.4°
O3C16C18110.8°117.3°
O3C16C19106.5°108.9°
O3C17C1498.2°98.6°
O3C17H13112.2°111.0°
O3C17H14112.2°112.6°
C18C16C19119.9°119.4°
C16C18H17109.5°109.5°
C16C18H15109.4°109.5°
C16C18H16109.5°109.5°
C16C19C1478.2°80.8°
C16C19H19116.6°114.6°
C16C19H18116.6°114.6°
N3N4C20103.1°109.2°
C12C20N5121.9°119.4°
C12C20N4112.0°106.6°
C20N5C21119.2°121.5°
N5C20N4126.0°134.0°
N5C21O4122.6°118.9°
N5C21C10121.9°122.2°
C21O4C22119.1°117.0°
O4C21C10115.6°118.9°
O4C22C23104.2°109.4°
O4C22C24106.0°109.5°
O4C22H20111.1°109.5°
C23C22C24115.2°109.5°
C23C22H20110.1°109.5°
C22C23H22109.5°109.5°
C22C23H21109.4°109.5°
C22C23H23109.5°109.5°
C24C22H20110.1°109.5°
C22C24H25109.5°109.4°
C22C24H26109.5°109.5°
C22C24H24109.5°109.5°
C8C6H5115.7°117.4°
C6C8H8114.6°117.5°
C17C14C19101.7°106.6°
C14C17H13112.2°111.4°
C14C17H14112.2°111.4°
C14C19H19116.6°114.7°
C14C19H18116.6°114.6°
H6C7H7109.4°115.6°
H11C15H12109.5°113.6°
H13C17H14109.5°111.2°
H25C24H26109.5°109.4°
H25C24H24109.5°109.5°
H26C24H24109.5°109.5°
H17C18H15109.5°109.4°
H17C18H16109.5°109.5°
H15C18H16109.4°109.4°
H19C19H18109.5°113.7°
H22C23H21109.5°109.5°
H22C23H23109.4°109.4°
H21C23H23109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1N1C10171.2°180.0°
O1C1N1C28.8°5.0°
O1C1C10C111.4°180.0°
O1C1C10C21179.8°0.0°
O1C1N1H1171.2°175.2°
C1N1C2H1180.0°179.8°
C1N1C2C32.8°124.6°
N1C1C10C11170.0°0.0°
C1N1C2C9175.9°55.9°
N1C1C10C218.3°180.0°
N1C2C3C9178.7°179.5°
N1C2C3C4179.4°180.0°
N1C2C9N2179.5°179.8°
N1C2C9O22.6°0.1°
C2N1C1C10162.4°175.0°
N1C2C3H20.6°0.0°
C2C3C4H2180.0°179.9°
C2C3C4C50.4°0.1°
C3C2C9N21.7°0.7°
C3C2C9O2178.6°179.6°
C3C2N1H1177.2°55.6°
C2C3C4H3179.6°179.7°
C3C4C5H3180.0°179.6°
C3C4C5N21.1°0.4°
C4C3C2C90.7°0.4°
C3C4C5H4178.9°179.7°
C4C5N2H4180.0°179.9°
C4C5N2C6179.9°180.0°
C4C5N2C92.1°0.1°
C5C4C3H2179.6°179.9°
C5N2C6C9178.0°179.9°
C5N2C6C732.6°116.7°
C5N2C9O2179.5°179.8°
C5N2C9C22.5°0.5°
C5N2C6C8102.3°48.1°
N2C5C4H3178.9°180.0°
C5N2C6H5113.8°97.5°
N2C6C7C8107.2°107.5°
N2C6C7H5146.6°145.1°
N2C6C8F10.6°0.0°
C6N2C9O22.5°0.2°
C6N2C9C2179.5°179.5°
N2C6C8H5144.0°144.9°
C6N2C5H40.1°0.1°
N2C6C7H6143.3°145.1°
N2C6C7H72.3°0.0°
N2C6C8H8145.1°145.0°
C6C7C8H6109.5°107.5°
C6C7C8H7109.5°107.5°
C7C6C8F1110.3°107.5°
C7C6N2C9149.3°63.3°
C7C6C8H5106.3°107.5°
C6C7H6H7144.7°145.7°
C7C6C8H8105.2°107.5°
C7C8F1H8146.7°145.7°
C8C7H6H7144.7°145.6°
F1C8C6H8144.5°145.0°
F1C8C6H5143.4°145.0°
F1C8C7H6143.3°145.0°
F1C8C7H72.3°0.0°
N2C9O2C2176.9°179.7°
C9N2C6C879.6°132.0°
C9N2C5H4177.8°180.0°
C9N2C6H564.2°82.4°
C1C10C11C21178.4°180.0°
C1C10C11C12177.8°180.0°
C1C10C21N5178.0°180.0°
C1C10C21O42.6°0.1°
C10C1N1H117.6°4.8°
C1C10C11H92.2°0.1°
C10C11C12H9180.0°179.9°
C10C11C12C13177.9°180.0°
C10C11C12C200.7°0.0°
C11C10C21N50.3°0.0°
C11C10C21O4179.1°180.0°
C11C12C13C20177.5°180.0°
C11C12C13N3179.9°180.0°
C11C12C20N52.3°0.0°
C12C11C10C210.6°0.0°
C11C12C20N4179.5°179.7°
C11C12C13H100.1°0.1°
C12C13N3H10180.0°179.9°
C12C13N3C14178.6°180.0°
C12C13N3N43.1°0.2°
C13C12C20N5179.7°180.0°
C13C12C20N41.5°0.3°
C13C12C11H92.1°0.1°
C13N3C14N4175.5°179.7°
C13N3C14C15121.8°164.8°
N3C13C12C202.6°0.0°
C13N3C14C1710.5°38.3°
C13N3C14C19134.5°96.2°
C13N3N4C202.1°0.4°
N3C14C15C17137.1°134.0°
N3C14C15C19122.1°120.6°
N3C14C15C16163.3°163.0°
N3C14C17O3178.5°179.5°
N3C14C19C16165.0°163.6°
N3C14C17C19132.7°140.1°
C14N3N4C20178.3°179.8°
C14N3C13H101.4°0.1°
N3C14C15H1182.5°83.9°
N3C14C15H1249.0°49.9°
N3C14C17H1360.4°63.8°
N3C14C17H1463.4°61.1°
N3C14C19H1980.9°50.7°
N3C14C19H1851.0°83.4°
C14C15C16H11114.2°113.1°
C14C15C16H12114.3°113.2°
C14C15C16O364.4°65.0°
C15C14C17O339.3°44.1°
C14C15C16C18165.3°161.7°
C15C14C19C1641.0°42.2°
C15C14N3N453.7°15.0°
C15C14C17C1988.1°84.5°
C14C15H11H12134.7°134.3°
C15C14C17H1378.8°160.7°
C15C14C17H14157.4°74.4°
C15C14C19H19155.1°70.7°
C15C14C19H1873.0°155.1°
C15C16O3C18138.8°134.6°
C15C16O3C1989.3°86.0°
C15C16O3C1748.6°43.7°
C15C16C18C19107.4°97.6°
C16C15C14C1759.7°63.0°
C16C15H11H12134.6°134.2°
C15C16C18H17180.0°60.0°
C15C16C18H1560.0°180.0°
C15C16C18H1660.0°60.1°
C15C16C19H19154.8°70.7°
C15C16C19H1873.2°155.3°
O3C16C18C19124.6°135.1°
C16O3C17C145.1°0.6°
O3C16C19C1463.2°59.8°
O3C16C15H1149.8°48.0°
O3C16C15H12178.7°178.2°
C16O3C17H13123.2°117.5°
C16O3C17H14113.0°117.0°
O3C16C18H1752.1°172.7°
O3C16C18H1568.0°52.7°
O3C16C18H16172.1°67.3°
O3C16C19H1950.8°172.8°
O3C16C19H18177.2°53.2°
C17O3C16C18172.6°178.3°
C17O3C16C1940.7°42.2°
O3C17C14H13118.1°116.6°
O3C17C14H14118.1°118.5°
O3C17C14C1948.8°40.4°
O3C17H13H14125.2°126.2°
C18C16C19C14170.2°161.8°
C18C16C15H1180.5°85.2°
C18C16C15H1251.0°48.5°
C16C18H17H15120.0°120.0°
C16C18H17H16120.0°120.1°
C16C18H15H16120.0°120.0°
C18C16C19H1975.8°48.7°
C18C16C19H1856.1°85.3°
C16C19C14C1763.6°57.1°
C16C19C14H19114.1°112.9°
C16C19C14H18114.0°113.0°
C19C16C15H11155.6°155.5°
C19C16C15H1272.9°70.7°
C19C16C18H1772.5°37.5°
C19C16C18H15167.4°82.4°
C19C16C18H1647.5°157.6°
C16C19H19H18135.2°134.5°
N3N4C20C120.2°0.4°
N3N4C20N5177.8°179.9°
N4N3C14C17174.0°141.4°
N4N3C14C1950.0°84.1°
N4N3C13H10177.0°179.7°
C12C20N5N4177.9°179.6°
C12C20N5C212.7°0.0°
C20C12C13H10177.4°179.9°
C20C12C11H9179.3°179.9°
C20N5C21O4179.3°179.9°
C20N5C21C101.3°0.0°
N5C21O4C10179.4°180.0°
N5C21O4C228.8°0.0°
C21N5C20N4179.5°179.6°
C21O4C22C2383.2°150.0°
C21O4C22C24154.9°90.0°
C21O4C22H2035.3°30.0°
O4C22C23C24115.6°120.0°
O4C22C23H20119.2°120.0°
O4C22C24H20120.2°120.0°
C22O4C21C10171.8°180.0°
O4C22C24H25180.0°180.0°
O4C22C24H2660.0°60.1°
O4C22C24H2460.0°60.0°
O4C22C23H22180.0°60.0°
O4C22C23H2160.0°60.0°
O4C22C23H2360.0°180.0°
C23C22C24H20125.2°120.0°
C23C22C24H2565.4°60.0°
C23C22C24H2654.6°180.0°
C23C22C24H24174.6°60.0°
C22C23H22H21120.0°120.0°
C22C23H22H23120.0°120.0°
C22C23H21H23120.0°120.1°
C22C24H25H26120.0°120.0°
C22C24H25H24120.0°120.0°
C22C24H26H24120.0°120.0°
C24C22C23H2264.4°59.9°
C24C22C23H21175.6°180.0°
C24C22C23H2355.6°60.0°
C9C2N1H14.1°123.9°
C9C2C3H2179.3°179.5°
C21C10C11H9179.4°179.9°
C17C14C15H1154.6°50.0°
C17C14C15H12173.9°176.1°
C14C17H13H14125.3°125.0°
C17C14C19H1950.4°170.0°
C17C14C19H18177.7°55.8°
C19C14C15H11155.3°155.4°
C19C14C15H1273.1°70.7°
C19C14C17H13167.0°76.3°
C19C14C17H1469.3°158.8°
C14C19H19H18135.1°134.6°
H3C4C5H41.1°0.1°
H3C4C3H20.4°0.4°
H5C6C7H63.3°0.1°
H5C6C7H7144.3°145.1°
H5C6C8H81.1°0.0°
H6C7C8H84.2°0.1°
H7C7C8H8145.2°145.0°
H20C22C24H2559.8°60.0°
H20C22C24H26179.8°59.9°
H20C22C24H2460.2°180.0°
H20C22C23H2260.8°180.0°
H20C22C23H2159.2°60.0°
H20C22C23H23179.2°60.0°
H25C24H26H24120.0°120.0°
H17C18H15H16120.0°120.0°
H22C23H21H23120.0°119.9°

226262

PDB entries from 2024-10-16

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