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35I

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N38C37sing1.39Å1.43Å
C08C07doub1.38Å1.38ÅAromatic
C08C09sing1.38Å1.38ÅAromatic
C07C06sing1.40Å1.45ÅAromatic
C37N36doub1.33Å1.35ÅAromatic
C37C31sing1.40Å1.43ÅAromatic
N36C34sing1.32Å1.35ÅAromatic
C30C31sing1.51Å1.53Å
C30C29sing1.51Å1.57Å
C09C10doub1.39Å1.41ÅAromatic
C06C05sing1.47Å1.47Å
C06C11doub1.40Å1.34ÅAromatic
C31C32doub1.38Å1.40ÅAromatic
C05N04doub1.30Å1.41Å
C34N35sing1.38Å1.42Å
C34N33doub1.32Å1.36ÅAromatic
C29C39doub1.38Å1.42ÅAromatic
C29C28sing1.38Å1.38ÅAromatic
C10C11sing1.38Å1.42ÅAromatic
N04N03sing1.40Å1.36Å
C11C12sing1.51Å1.51Å
C32N33sing1.33Å1.36ÅAromatic
C39C21sing1.40Å1.41ÅAromatic
C28C25doub1.39Å1.40ÅAromatic
N03C12sing1.47Å1.46Å
N03C02sing1.35Å1.42Å
C19C02sing1.46Å1.53Å
C19C20doub1.35Å1.39Å
C21C20sing1.47Å1.55Å
C21C22doub1.40Å1.37ÅAromatic
C12C13sing1.53Å1.54Å
C25C22sing1.39Å1.40ÅAromatic
C25O26sing1.36Å1.38Å
C27O26sing1.43Å1.38Å
C02O01doub1.22Å1.21Å
C22O23sing1.36Å1.40Å
C13C14sing1.53Å1.52Å
O23C24sing1.43Å1.40Å
C14C15sing1.53Å1.52Å
F16C15sing1.40Å1.34Å
C15F17sing1.40Å1.34Å
C15F18sing1.40Å1.35Å
C05H1sing1.08Å1.08Å
C07H2sing1.08Å1.08Å
C08H3sing1.08Å1.08Å
C09H4sing1.08Å1.08Å
C10H5sing1.08Å1.08Å
C12H6sing1.09Å1.10Å
C13H7sing1.09Å1.10Å
C13H8sing1.09Å1.10Å
C14H9sing1.09Å1.10Å
C14H10sing1.09Å1.10Å
C19H11sing1.08Å1.08Å
C20H12sing1.08Å1.08Å
C24H13sing1.09Å1.10Å
C24H14sing1.09Å1.10Å
C24H15sing1.09Å1.10Å
C27H16sing1.09Å1.10Å
C27H17sing1.09Å1.10Å
C27H18sing1.09Å1.10Å
C28H19sing1.08Å1.08Å
C30H20sing1.09Å1.10Å
C30H21sing1.09Å1.10Å
C32H22sing1.08Å1.08Å
N35H23sing0.97Å1.00Å
N35H24sing0.97Å1.00Å
N38H25sing0.97Å1.00Å
N38H26sing0.97Å1.00Å
C39H27sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N38C37N36119.9°120.5°
N38C37C31120.1°120.4°
C37N38H25109.5°120.0°
C37N38H26109.5°120.1°
C07C08C09120.5°120.3°
C08C07C06119.0°119.7°
C08C07H2120.5°120.2°
C07C08H3119.8°119.9°
C08C09C10120.4°120.4°
C09C08H3119.7°119.8°
C08C09H4119.8°119.9°
C07C06C05120.0°120.7°
C07C06C11120.4°119.7°
C06C07H2120.5°120.1°
N36C37C31120.0°119.0°
C37N36C34120.9°120.6°
C37C31C30119.5°120.8°
C37C31C32117.8°118.5°
N36C34N35119.8°119.2°
N36C34N33120.5°121.6°
C31C30C29116.4°109.5°
C30C31C32122.7°120.7°
C31C30H20107.7°109.5°
C31C30H21107.7°109.5°
C30C29C39123.3°119.8°
C30C29C28117.9°119.8°
C29C30H20107.7°109.5°
C29C30H21107.7°109.5°
C09C10C11119.1°119.9°
C10C09H4119.8°119.8°
C09C10H5120.5°120.0°
C05C06C11119.7°119.6°
C06C05N04118.2°119.8°
C06C05H1120.9°120.2°
C06C11C10120.6°120.1°
C06C11C12119.4°119.1°
C31C32N33119.4°119.3°
C31C32H22120.3°120.4°
C05N04N03119.8°120.0°
N04C05H1120.9°120.1°
N35C34N33119.8°119.2°
C34N35H23109.5°120.0°
C34N35H24109.5°120.0°
C34N33C32121.4°121.0°
C39C29C28118.8°120.4°
C29C39C21120.2°120.0°
C29C39H27119.9°120.0°
C29C28C25120.8°120.4°
C29C28H19119.6°119.8°
C10C11C12120.0°120.8°
C11C10H5120.5°120.1°
N04N03C12119.5°119.6°
N04N03C02118.6°120.2°
C11C12N03112.5°108.6°
C11C12C13107.0°109.8°
C11C12H6108.9°109.4°
N33C32H22120.4°120.3°
C39C21C20122.1°120.2°
C39C21C22119.8°119.6°
C21C39H27119.9°120.0°
C28C25C22119.9°120.0°
C28C25O26120.4°120.0°
C25C28H19119.6°119.8°
C12N03C02121.8°120.2°
N03C12C13110.1°109.6°
N03C12H6109.7°109.6°
N03C02C19117.6°120.0°
N03C02O01120.5°120.0°
C02C19C20120.3°120.0°
C19C02O01121.9°120.0°
C02C19H11119.9°120.0°
C19C20C21123.1°120.0°
C20C19H11119.8°120.0°
C19C20H12118.4°119.9°
C20C21C22118.1°120.2°
C21C20H12118.4°120.1°
C21C22C25120.6°119.7°
C21C22O23120.6°120.2°
C12C13C14118.1°109.5°
C13C12H6108.6°109.7°
C12C13H7107.3°109.5°
C12C13H8107.3°109.5°
C22C25O26119.8°120.0°
C25C22O23118.9°120.2°
C25O26C27119.2°117.0°
O26C27H16109.5°109.5°
O26C27H17109.5°109.5°
O26C27H18109.5°109.5°
C22O23C24118.1°117.1°
C13C14C15119.5°109.5°
C14C13H7107.3°109.5°
C14C13H8107.3°109.4°
C13C14H9106.9°109.5°
C13C14H10106.9°109.4°
O23C24H13109.5°109.4°
O23C24H14109.5°109.5°
O23C24H15109.5°109.5°
C14C15F16107.1°109.4°
C14C15F17112.1°109.5°
C14C15F18107.8°109.5°
C15C14H9106.9°109.5°
C15C14H10106.9°109.5°
F16C15F17109.8°109.5°
F16C15F18111.2°109.5°
F17C15F18108.8°109.5°
H7C13H8109.5°109.5°
H9C14H10109.4°109.4°
H13C24H14109.5°109.5°
H13C24H15109.5°109.5°
H14C24H15109.4°109.5°
H16C27H17109.5°109.4°
H16C27H18109.5°109.5°
H17C27H18109.4°109.5°
H20C30H21109.5°109.4°
H23N35H24109.5°120.0°
H25N38H26109.4°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N38C37N36C31179.9°179.4°
N38C37N36C34179.0°180.0°
N38C37C31C300.6°0.3°
N38C37C31C32179.3°180.0°
C37N38H25H26120.0°179.9°
C07C08C09H3180.0°179.9°
C08C07C06H2180.0°179.9°
C07C08C09C100.2°0.3°
C08C07C06C05180.0°179.3°
C08C07C06C110.1°0.5°
C07C08C09H4179.8°179.6°
C09C08C07C060.2°0.1°
C08C09C10H4180.0°180.0°
C08C09C10C110.0°0.0°
C09C08C07H2179.8°180.0°
C08C09C10H5180.0°180.0°
C07C06C05C11179.9°179.7°
C07C06C05N04160.9°166.8°
C07C06C11C100.3°0.8°
C07C06C11C12179.8°178.1°
C07C06C05H119.1°13.2°
C06C07C08H3179.8°179.8°
N36C37C31C30179.3°179.7°
N36C37C31C320.9°0.6°
C37N36C34N35179.9°179.7°
C37N36C34N331.0°0.3°
N36C37N38H250.0°0.1°
N36C37N38H26120.0°180.0°
C31C37N36C341.1°0.6°
C37C31C30C32179.9°179.6°
C37C31C30C29170.5°84.7°
C37C31C32N330.5°0.3°
C37C31C30H2049.5°35.4°
C37C31C30H2168.5°155.3°
C37C31C32H22179.5°179.7°
C31C37N38H25179.9°179.5°
C31C37N38H2660.2°0.6°
N36C34N35N33179.0°180.0°
N36C34N33C320.6°0.0°
N36C34N35H230.0°180.0°
N36C34N35H24120.0°0.1°
C31C30C29H20121.0°120.0°
C31C30C29H21121.0°120.0°
C31C30C29C3954.5°90.0°
C31C30C29C28127.2°90.5°
C30C31C32N33179.6°179.9°
C31C30H20H21116.9°119.9°
C30C31C32H220.4°0.1°
C29C30C31C329.7°95.0°
C30C29C39C28178.4°179.5°
C30C29C39C21179.5°180.0°
C30C29C28C25179.5°179.7°
C30C29C28H190.5°0.2°
C29C30H20H21116.8°120.0°
C30C29C39H270.4°0.6°
C09C10C11C060.2°0.6°
C09C10C11H5180.0°180.0°
C09C10C11C12179.8°178.3°
C10C09C08H3179.8°179.6°
C06C05N04H1180.0°180.0°
C05C06C11C10179.8°178.9°
C06C05N04N039.4°1.4°
C05C06C11C120.2°2.2°
C05C06C07H20.0°0.8°
C11C06C05N0419.0°13.0°
C06C11C10C12179.6°178.9°
C06C11C12N0326.8°27.5°
C06C11C12C1394.2°92.4°
C11C06C05H1161.0°167.0°
C11C06C07H2179.9°179.4°
C06C11C10H5179.7°179.4°
C06C11C12H6148.6°147.1°
C31C32N33C340.4°0.0°
C31C32N33H22180.0°180.0°
C32C31C30H20130.7°145.0°
C32C31C30H21111.3°25.1°
C05N04N03C1219.4°31.6°
C05N04N03C02162.2°148.2°
N35C34N33C32179.6°180.0°
C34N35H23H24120.0°180.0°
C34N33C32H22179.6°180.0°
N33C34N35H23179.0°0.0°
N33C34N35H2459.0°180.0°
C29C39C21H27180.0°179.4°
C39C29C28C251.0°0.3°
C29C39C21C20180.0°179.8°
C29C39C21C221.0°0.5°
C39C29C28H19179.0°179.7°
C39C29C30H2066.5°150.0°
C39C29C30H21175.5°30.0°
C28C29C39C211.2°0.6°
C29C28C25H19180.0°180.0°
C29C28C25C220.6°0.0°
C29C28C25O26179.2°180.0°
C28C29C30H20111.9°29.5°
C28C29C30H216.2°149.4°
C28C29C39H27178.8°180.0°
C10C11C12N03153.7°153.6°
C10C11C12C1385.4°86.5°
C11C10C09H4180.0°180.0°
C10C11C12H631.9°34.0°
N04N03C12C1136.8°42.8°
N04N03C12C02178.3°179.7°
N04N03C02C190.9°0.5°
N04N03C12C1382.3°77.3°
N04N03C02O01179.5°179.7°
N03N04C05H1170.6°178.7°
N04N03C12H6158.2°162.2°
C11C12N03C13119.2°120.0°
C11C12N03H6121.4°119.5°
C11C12N03C02144.9°137.0°
C11C12C13H6117.4°120.3°
C11C12C13C1482.4°175.7°
C12C11C10H50.2°1.7°
C11C12C13H7156.4°64.3°
C11C12C13H838.9°55.7°
C39C21C20C190.0°0.3°
C39C21C20C22179.1°179.7°
C39C21C22C250.6°0.2°
C39C21C22O23179.0°179.6°
C39C21C20H12180.0°179.7°
C28C25C22C210.4°0.0°
C28C25C22O26179.8°180.0°
C28C25O26C2711.4°0.0°
C28C25C22O23178.8°179.9°
C12N03C02C19179.2°179.8°
N03C12C13H6120.1°120.4°
C12N03C02O011.2°0.1°
N03C12C13C14155.1°65.0°
N03C12C13H733.9°55.0°
N03C12C13H883.6°175.0°
N03C02C19O01179.5°179.8°
N03C02C19C20173.5°179.7°
C02N03C12C1396.0°103.0°
C02N03C12H623.5°17.5°
N03C02C19H116.5°0.2°
C02C19C20H11180.0°179.9°
C02C19C20C21174.2°180.0°
C02C19C20H125.8°0.1°
C19C20C21H12180.0°180.0°
C19C20C21C22179.1°180.0°
C20C19C02O016.0°0.1°
C20C21C22C25179.7°179.9°
C20C21C22O231.9°0.1°
C21C20C19H115.8°0.0°
C20C21C39H270.1°0.3°
C21C22C25O23178.4°179.9°
C21C22C25O26179.4°180.0°
C21C22O23C2488.4°90.0°
C22C21C20H120.9°0.0°
C22C21C39H27179.0°180.0°
C12C13C14H7121.2°120.0°
C12C13C14H8121.3°120.0°
C12C13C14C15149.9°NaN°
C12C13H7H8116.1°120.0°
C12C13C14H988.6°59.9°
C12C13C14H1028.5°60.0°
C22C25O26C27168.7°180.0°
C25C22O23C2490.1°89.9°
C22C25C28H19179.4°180.0°
O26C25C22O231.0°0.1°
C25O26C27H16180.0°60.0°
C25O26C27H1760.0°60.0°
C25O26C27H1860.0°180.0°
O26C25C28H190.8°0.1°
O26C27H16H17120.0°120.0°
O26C27H16H18120.0°120.0°
O26C27H17H18120.0°120.0°
O01C02C19H11173.9°180.0°
C22O23C24H13180.0°60.0°
C22O23C24H1460.0°60.0°
C22O23C24H1560.0°180.0°
C13C14C15H9121.5°120.0°
C13C14C15H10121.4°120.0°
C13C14C15F1698.1°60.0°
C13C14C15F1722.4°60.0°
C13C14C15F18142.2°180.0°
C14C13C12H635.0°55.4°
C14C13H7H8116.1°120.0°
C13C14H9H10115.5°119.9°
O23C24H13H14120.0°119.9°
O23C24H13H15120.0°120.0°
O23C24H14H15120.0°120.0°
C14C15F16F17121.9°120.0°
C14C15F16F18117.6°120.0°
C14C15F17F18119.2°120.0°
C15C14C13H728.7°60.0°
C15C14C13H888.8°60.0°
C15C14H9H10115.4°120.0°
F16C15F17F18121.9°120.1°
F16C15C14H923.4°180.0°
F16C15C14H10140.5°60.0°
F17C15C14H9143.8°60.0°
F17C15C14H1099.0°180.0°
F18C15C14H996.4°60.0°
F18C15C14H1020.8°60.0°
H2C07C08H30.2°0.1°
H3C08C09H40.2°0.5°
H4C09C10H50.0°0.0°
H6C12C13H786.2°175.5°
H6C12C13H8156.3°64.6°
H7C13C14H9150.2°180.0°
H7C13C14H1092.7°60.0°
H8C13C14H932.6°60.1°
H8C13C14H10149.8°180.0°
H11C19C20H12174.2°180.0°
H13C24H14H15120.0°120.0°
H16C27H17H18120.0°120.0°

225946

PDB entries from 2024-10-09

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