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OYX

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NC4doub1.31Å1.33ÅAromatic
NC3sing1.33Å1.34ÅAromatic
C4C5sing1.40Å1.41ÅAromatic
C3C2doub1.36Å1.38ÅAromatic
C5C6doub1.40Å1.41ÅAromatic
C5C10sing1.42Å1.42ÅAromatic
C2C10sing1.41Å1.42ÅAromatic
C2C1sing1.51Å1.52Å
C6C7sing1.36Å1.36ÅAromatic
C10C9doub1.40Å1.42ÅAromatic
C1Csing1.51Å1.52Å
OCdoub1.21Å1.22Å
C7C8doub1.39Å1.39ÅAromatic
CN1sing1.35Å1.35Å
C9C8sing1.36Å1.36ÅAromatic
C22C21sing1.38Å1.41ÅAromatic
C22C23doub1.33Å1.35ÅAromatic
C21C20doub1.33Å1.42ÅAromatic
C23Ssing1.76Å1.72ÅAromatic
N1C11sing1.47Å1.47Å
N1C19sing1.47Å1.45Å
C20C19sing1.51Å1.50Å
C20Ssing1.76Å1.71ÅAromatic
C11C12sing1.53Å1.52Å
C12C13sing1.53Å1.54Å
C18C13sing1.53Å1.53Å
C18C17sing1.53Å1.53Å
C13C14sing1.53Å1.53Å
C14C15sing1.53Å1.53Å
C17C16sing1.53Å1.52Å
C15C16sing1.53Å1.53Å
C4H1sing1.08Å1.08Å
C6H2sing1.08Å1.08Å
C7H3sing1.08Å1.08Å
C8H4sing1.08Å1.08Å
C13H5sing1.09Å1.10Å
C15H6sing1.09Å1.10Å
C15H7sing1.09Å1.10Å
C17H8sing1.09Å1.10Å
C17H9sing1.09Å1.10Å
C21H10sing1.08Å1.08Å
C22H11sing1.08Å1.08Å
C1H12sing1.09Å1.10Å
C1H13sing1.09Å1.10Å
C9H14sing1.08Å1.08Å
C3H15sing1.08Å1.08Å
C19H16sing1.09Å1.10Å
C19H17sing1.09Å1.10Å
C23H18sing1.08Å1.08Å
C11H19sing1.09Å1.10Å
C11H20sing1.09Å1.10Å
C12H21sing1.09Å1.10Å
C12H22sing1.09Å1.10Å
C18H23sing1.09Å1.10Å
C18H24sing1.09Å1.10Å
C16H25sing1.09Å1.10Å
C16H26sing1.09Å1.10Å
C14H27sing1.09Å1.10Å
C14H28sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C4NC3117.5°122.8°
NC4C5123.9°119.9°
NC4H1118.0°120.0°
NC3C2125.3°121.9°
NC3H15117.3°119.1°
C4C5C6123.4°122.0°
C4C5C10117.4°118.6°
C5C4H1118.0°120.1°
C3C2C10117.3°118.7°
C3C2C1121.8°120.6°
C2C3H15117.4°119.1°
C6C5C10119.2°119.4°
C5C6C7120.5°119.5°
C5C6H2119.8°120.2°
C5C10C2118.6°118.2°
C5C10C9118.1°119.5°
C10C2C1120.8°120.6°
C2C10C9123.3°122.2°
C2C1C113.4°109.5°
C2C1H12108.5°109.5°
C2C1H13108.5°109.5°
C6C7C8120.7°121.1°
C7C6H2119.7°120.2°
C6C7H3119.7°119.5°
C10C9C8120.9°119.5°
C10C9H14119.5°120.2°
C1CO120.5°120.0°
C1CN1117.5°120.0°
CC1H12108.5°109.4°
CC1H13108.5°109.5°
OCN1122.1°120.0°
C7C8C9120.6°121.0°
C8C7H3119.6°119.4°
C7C8H4119.7°119.5°
CN1C11123.7°120.0°
CN1C19120.2°120.0°
C9C8H4119.7°119.4°
C8C9H14119.5°120.3°
C21C22C23112.7°114.9°
C22C21C20111.4°114.8°
C22C21H10124.3°122.5°
C21C22H11123.6°122.5°
C22C23S113.2°109.6°
C23C22H11123.6°122.6°
C22C23H18123.4°125.2°
C21C20C19127.8°125.2°
C21C20S111.1°109.6°
C20C21H10124.3°122.6°
C23SC2091.6°91.0°
SC23H18123.4°125.2°
C11N1C19116.0°120.0°
N1C11C12111.0°109.5°
N1C11H19109.1°109.5°
N1C11H20109.1°109.4°
N1C19C20110.9°109.5°
N1C19H16109.2°109.4°
N1C19H17109.1°109.5°
C19C20S121.1°125.2°
C20C19H16109.1°109.5°
C20C19H17109.1°109.5°
C11C12C13121.2°109.5°
C12C11H19109.1°109.5°
C12C11H20109.1°109.5°
C11C12H21106.4°109.4°
C11C12H22106.5°109.5°
C12C13C18112.7°109.4°
C12C13C14115.0°109.4°
C12C13H5106.3°109.5°
C13C12H21106.5°109.5°
C13C12H22106.4°109.5°
C13C18C17112.3°109.5°
C18C13C14109.1°109.5°
C18C13H5106.5°109.5°
C13C18H23108.7°109.5°
C13C18H24108.7°109.5°
C18C17C16111.7°109.4°
C18C17H8108.9°109.4°
C18C17H9108.9°109.5°
C17C18H23108.8°109.5°
C17C18H24108.8°109.4°
C13C14C15111.9°109.4°
C14C13H5106.6°109.5°
C13C14H27108.8°109.5°
C13C14H28108.9°109.4°
C14C15C16111.4°109.5°
C14C15H6108.9°109.5°
C14C15H7109.0°109.5°
C15C14H27108.9°109.5°
C15C14H28108.9°109.5°
C17C16C15111.0°109.5°
C16C17H8108.9°109.5°
C16C17H9108.9°109.5°
C17C16H25109.1°109.5°
C17C16H26109.1°109.4°
C16C15H6109.0°109.5°
C16C15H7109.0°109.5°
C15C16H25109.1°109.5°
C15C16H26109.1°109.4°
H6C15H7109.5°109.5°
H8C17H9109.5°109.5°
H12C1H13109.4°109.5°
H16C19H17109.5°109.5°
H19C11H20109.5°109.4°
H21C12H22109.5°109.5°
H23C18H24109.5°109.5°
H25C16H26109.5°109.5°
H27C14H28109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NC4C5H1180.0°179.6°
C4NC3C20.2°0.6°
NC4C5C6178.8°179.8°
NC4C5C100.2°0.3°
C4NC3H15179.8°179.9°
C3NC4C50.8°0.6°
NC3C2H15180.0°179.5°
NC3C2C101.0°0.3°
NC3C2C1175.6°179.7°
C3NC4H1179.2°179.8°
C4C5C6C10178.6°179.9°
C4C5C10C21.0°0.0°
C4C5C6C7178.6°180.0°
C4C5C10C9179.7°179.9°
C4C5C6H21.4°0.1°
C3C2C10C51.5°0.0°
C3C2C10C1176.6°180.0°
C3C2C10C9179.9°179.9°
C3C2C1C104.1°95.0°
C3C2C1H12135.3°145.0°
C3C2C1H1316.5°25.0°
C6C5C10C2177.7°179.9°
C5C6C7H2180.0°179.9°
C6C5C10C91.0°0.0°
C5C6C7C81.0°0.1°
C6C5C4H11.2°0.2°
C5C6C7H3178.9°180.0°
C5C10C2C9178.6°179.9°
C5C10C2C1175.1°180.0°
C10C5C6C70.0°0.1°
C5C10C9C81.0°0.0°
C10C5C4H1179.8°179.9°
C10C5C6H2180.0°180.0°
C5C10C9H14179.0°180.0°
C10C2C1C79.4°85.0°
C2C10C9C8177.6°179.9°
C10C2C1H1241.2°35.0°
C10C2C1H13160.0°155.0°
C2C10C9H142.4°0.0°
C10C2C3H15179.1°179.7°
C1C2C10C93.5°0.1°
C2C1CH12120.6°120.0°
C2C1CH13120.6°120.0°
C2C1CO20.6°0.0°
C2C1CN1158.5°180.0°
C2C1H12H13118.2°120.0°
C1C2C3H154.3°0.3°
C6C7C8H3180.0°179.9°
C6C7C8C91.0°0.1°
C6C7C8H4179.0°180.0°
C10C9C8C70.0°0.0°
C10C9C8H14180.0°180.0°
C10C9C8H4180.0°180.0°
C1CON1179.0°180.0°
C1CN1C115.7°180.0°
C1CN1C19173.5°0.3°
CC1H12H13118.2°120.0°
OCN1C11175.3°0.0°
OCN1C195.5°179.8°
OCC1H12141.2°120.0°
OCC1H13100.0°120.0°
C7C8C9H4180.0°180.0°
C8C7C6H2179.0°180.0°
C7C8C9H14180.0°180.0°
CN1C11C19179.2°179.7°
CN1C19C2080.6°90.3°
CN1C11C1296.2°89.7°
N1CC1H1237.9°60.0°
N1CC1H1381.0°60.0°
CN1C19H1639.6°29.7°
CN1C19H17159.1°149.7°
CN1C11H1924.0°30.3°
CN1C11H20143.6°150.2°
C9C8C7H3179.0°180.0°
C21C22C23H11180.0°179.9°
C22C21C20H10180.0°179.9°
C21C22C23S0.2°0.2°
C22C21C20C19179.7°179.9°
C22C21C20S0.1°0.3°
C21C22C23H18179.8°180.0°
C23C22C21C200.2°0.1°
C22C23SH18180.0°179.7°
C22C23SC200.1°0.3°
C23C22C21H10179.8°180.0°
C21C20SC230.0°0.3°
C21C20C19N115.5°89.7°
C21C20C19S179.8°179.7°
C20C21C22H11179.8°180.0°
C21C20C19H16135.8°30.2°
C21C20C19H17104.7°150.3°
C23SC20C19179.8°179.9°
SC23C22H11179.8°179.7°
C11N1C19C20100.1°90.0°
N1C11C12H19120.2°120.0°
N1C11C12H20120.3°120.0°
N1C11C12C13143.9°180.0°
C11N1C19H16139.7°150.0°
C11N1C19H1720.1°30.0°
N1C11H19H20119.3°119.9°
N1C11C12H2122.2°60.0°
N1C11C12H2294.5°60.0°
N1C19C20H16120.2°119.9°
N1C19C20H17120.2°120.0°
N1C19C20S164.7°90.0°
C19N1C11C1283.0°90.0°
N1C19H16H17119.4°120.0°
C19N1C11H19156.8°150.0°
C19N1C11H2037.2°30.0°
C19C20C21H100.3°0.0°
C20C19H16H17119.4°120.0°
SC20C21H10179.9°179.8°
SC20C19H1644.5°150.1°
SC20C19H1775.1°30.0°
C20SC23H18179.9°179.9°
C11C12C13H21121.6°120.0°
C11C12C13H22121.6°120.0°
C11C12C13C18120.8°65.0°
C11C12C13C145.2°175.0°
C11C12C13H5122.8°55.0°
C12C11H19H20119.3°120.1°
C11C12H21H22114.7°120.0°
C12C13C18C14129.0°120.0°
C12C13C18H5116.3°120.0°
C12C13C18C17175.1°180.0°
C12C13C14H5117.5°120.0°
C12C13C14C15175.7°180.0°
C13C12C11H1995.9°60.0°
C13C12C11H2023.6°60.0°
C13C12H21H22114.7°120.0°
C12C13C18H2354.6°60.0°
C12C13C18H2464.5°60.0°
C12C13C14H2763.9°60.0°
C12C13C14H2855.3°60.0°
C13C18C17H23120.4°120.0°
C13C18C17H24120.4°120.0°
C18C13C14H5114.7°120.1°
C18C13C14C1556.5°60.1°
C13C18C17C1655.3°60.0°
C13C18C17H865.0°60.0°
C13C18C17H9175.6°180.0°
C18C13C12H21117.6°175.0°
C18C13C12H220.8°55.0°
C13C18H23H24118.7°120.0°
C18C13C14H2763.9°59.9°
C18C13C14H28176.9°180.0°
C17C18C13C1455.9°60.0°
C18C17C16H8120.4°120.0°
C18C17C16H9120.3°120.0°
C18C17C16C1553.4°60.0°
C17C18C13H558.8°60.0°
C18C17H8H9119.0°120.0°
C17C18H23H24118.7°120.0°
C18C17C16H25173.6°60.0°
C18C17C16H2666.9°180.0°
C13C14C15H27120.3°120.0°
C13C14C15H28120.4°119.9°
C13C14C15C1656.6°60.0°
C13C14C15H6176.9°60.0°
C13C14C15H763.7°180.0°
C14C13C12H21116.5°55.0°
C14C13C12H22126.8°65.0°
C14C13C18H23176.3°180.0°
C14C13C18H2464.5°59.9°
C13C14H27H28118.9°120.0°
C14C15C16C1754.1°60.0°
C14C15C16H6120.3°120.0°
C14C15C16H7120.3°120.0°
C15C14C13H558.1°60.0°
C14C15H6H7119.1°120.0°
C14C15C16H25174.3°60.0°
C14C15C16H2666.2°180.0°
C15C14H27H28118.9°120.0°
C17C16C15H25120.2°120.0°
C17C16C15H26120.2°119.9°
C17C16C15H6174.3°60.0°
C17C16C15H766.2°180.0°
C16C17H8H9118.9°120.0°
C16C17C18H23175.7°180.0°
C16C17C18H2465.1°60.0°
C17C16H25H26119.3°120.0°
C16C15H6H7119.1°120.0°
C15C16C17H867.0°59.9°
C15C16C17H9173.7°180.0°
C15C16H25H26119.3°120.0°
C16C15C14H2763.7°60.0°
C16C15C14H28177.0°180.0°
H2C6C7H31.0°0.1°
H3C7C8H41.0°0.0°
H4C8C9H140.1°0.0°
H5C13C12H211.2°65.0°
H5C13C12H22115.5°175.0°
H5C13C18H2361.6°60.0°
H5C13C18H24179.2°NaN°
H5C13C14H27178.5°180.0°
H5C13C14H2862.3°59.9°
H6C15C16H2565.4°NaN°
H6C15C16H2654.1°60.0°
H6C15C14H2756.6°180.0°
H6C15C14H2862.7°60.0°
H7C15C16H2554.0°60.0°
H7C15C16H26173.5°60.0°
H7C15C14H27176.0°60.0°
H7C15C14H2856.7°60.1°
H8C17C18H2355.4°60.0°
H8C17C18H24174.5°180.0°
H8C17C16H2553.3°179.9°
H8C17C16H26172.8°60.0°
H9C17C18H2364.0°60.0°
H9C17C18H2455.2°60.0°
H9C17C16H2566.0°60.0°
H9C17C16H2653.5°60.1°
H10C21C22H110.2°0.1°
H11C22C23H180.2°0.0°
H19C11C12H21142.5°60.0°
H19C11C12H2225.7°180.0°
H20C11C12H2198.0°180.0°
H20C11C12H22145.2°60.0°

222624

PDB entries from 2024-07-17

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