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LB5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2C3doub1.38Å1.38ÅAromatic
C2C1sing1.38Å1.40ÅAromatic
CC1sing1.51Å1.50Å
C3C4sing1.38Å1.38ÅAromatic
C1C6doub1.39Å1.39ÅAromatic
N1C9doub1.31Å1.32ÅAromatic
N1Nsing1.40Å1.37ÅAromatic
C4C5doub1.38Å1.38ÅAromatic
C6C5sing1.39Å1.40ÅAromatic
C6Nsing1.40Å1.44Å
C9C8sing1.41Å1.41ÅAromatic
NC7sing1.34Å1.35ÅAromatic
C8C7doub1.38Å1.38ÅAromatic
C8C10sing1.47Å1.48Å
N2C10sing1.35Å1.34Å
N2C11sing1.47Å1.45Å
C10O2doub1.22Å1.23Å
C11C12sing1.51Å1.50Å
C12Ssing1.71Å1.76ÅAromatic
C12N3doub1.29Å1.31ÅAromatic
SC14sing1.76Å1.73ÅAromatic
N3C13sing1.31Å1.39ÅAromatic
C21C22sing1.53Å1.52Å
C21C20sing1.53Å1.54Å
C14C13doub1.36Å1.36ÅAromatic
C14C15sing1.47Å1.49Å
O1C15doub1.22Å1.22Å
C22C23sing1.53Å1.49Å
C20C19sing1.53Å1.53Å
C15N4sing1.35Å1.34Å
C23C24sing1.53Å1.52Å
N4C16sing1.47Å1.47Å
C19C24sing1.53Å1.52Å
C19C18sing1.53Å1.56Å
C17C18sing1.53Å1.51Å
C17C16sing1.53Å1.54Å
C16C25sing1.51Å1.54Å
C25N5sing1.35Å1.34Å
C25Odoub1.21Å1.24Å
C2H1sing1.08Å1.08Å
C4H2sing1.08Å1.08Å
N4H3sing0.97Å1.00Å
C5H4sing1.08Å1.08Å
C7H5sing1.08Å1.08Å
C9H6sing1.08Å1.08Å
C3H7sing1.08Å1.08Å
CH8sing1.09Å1.10Å
CH9sing1.09Å1.10Å
CH10sing1.09Å1.10Å
N2H11sing0.97Å1.00Å
C11H12sing1.09Å1.10Å
C11H13sing1.09Å1.10Å
C13H14sing1.08Å1.08Å
C16H15sing1.09Å1.10Å
N5H16sing0.97Å1.00Å
N5H17sing0.97Å1.00Å
C17H18sing1.09Å1.10Å
C17H19sing1.09Å1.10Å
C18H20sing1.09Å1.10Å
C18H21sing1.09Å1.10Å
C19H22sing1.09Å1.10Å
C24H23sing1.09Å1.10Å
C24H24sing1.09Å1.10Å
C23H25sing1.09Å1.10Å
C23H26sing1.09Å1.10Å
C22H27sing1.09Å1.10Å
C22H28sing1.09Å1.10Å
C21H29sing1.09Å1.10Å
C21H30sing1.09Å1.10Å
C20H31sing1.09Å1.10Å
C20H32sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C3C2C1121.2°120.1°
C2C3C4120.2°120.1°
C3C2H1119.4°120.0°
C2C3H7119.9°120.0°
C2C1C120.2°120.0°
C2C1C6117.5°120.0°
C1C2H1119.4°119.9°
CC1C6122.2°120.0°
C1CH8109.5°109.5°
C1CH9109.5°109.4°
C1CH10109.5°109.4°
C3C4C5120.2°120.0°
C3C4H2119.9°120.0°
C4C3H7119.9°119.9°
C1C6C5121.7°119.8°
C1C6N119.2°120.1°
C9N1N104.2°108.9°
N1C9C8112.4°108.1°
N1C9H6123.8°126.0°
N1NC6119.6°125.7°
N1NC7112.1°108.5°
C4C5C6119.1°120.0°
C5C4H2119.9°120.0°
C4C5H4120.4°120.0°
C5C6N119.0°120.1°
C6C5H4120.4°120.0°
C6NC7128.1°125.8°
C9C8C7104.0°107.2°
C9C8C10131.8°126.4°
C8C9H6123.8°126.0°
NC7C8107.2°107.4°
NC7H5126.4°126.3°
C7C8C10124.2°126.4°
C8C7H5126.4°126.3°
C8C10N2116.7°120.0°
C8C10O2120.7°120.0°
C10N2C11121.4°120.0°
N2C10O2122.4°120.0°
C10N2H11119.3°120.0°
N2C11C12115.7°109.5°
C11N2H11119.3°120.0°
N2C11H12107.9°109.5°
N2C11H13107.9°109.5°
C11C12S121.4°124.8°
C11C12N3122.8°124.8°
C12C11H12107.9°109.5°
C12C11H13107.9°109.4°
SC12N3115.7°110.4°
C12SC1487.9°90.3°
C12N3C13109.5°117.4°
SC14C13110.8°107.7°
SC14C15118.5°126.1°
N3C13C14116.0°114.2°
N3C13H14122.0°122.9°
C22C21C20110.8°109.5°
C21C22C23110.6°109.4°
C21C22H27109.2°109.5°
C21C22H28109.2°109.5°
C22C21H29109.1°109.5°
C22C21H30109.1°109.5°
C21C20C19111.5°109.5°
C20C21H29109.1°109.4°
C20C21H30109.2°109.5°
C21C20H31109.0°109.5°
C21C20H32109.0°109.5°
C13C14C15130.6°126.1°
C14C13H14122.0°122.9°
C14C15O1121.1°120.0°
C14C15N4116.0°120.0°
O1C15N4122.7°120.0°
C22C23C24111.6°109.5°
C22C23H25109.0°109.4°
C22C23H26108.9°109.5°
C23C22H27109.2°109.5°
C23C22H28109.2°109.5°
C20C19C24109.2°109.4°
C20C19C18114.2°109.5°
C20C19H22107.7°109.5°
C19C20H31109.0°109.5°
C19C20H32109.0°109.5°
C15N4C16122.1°119.9°
C15N4H3118.9°120.0°
C23C24C19112.8°109.5°
C23C24H23108.6°109.5°
C23C24H24108.6°109.5°
C24C23H25108.9°109.5°
C24C23H26108.9°109.5°
N4C16C17108.5°109.4°
N4C16C25109.4°109.4°
C16N4H3119.0°120.0°
N4C16H15108.9°109.5°
C24C19C18110.2°109.5°
C24C19H22107.8°109.4°
C19C24H23108.6°109.5°
C19C24H24108.6°109.4°
C19C18C17117.7°109.4°
C19C18H20107.4°109.5°
C19C18H21107.4°109.5°
C18C19H22107.5°109.6°
C18C17C16117.5°109.5°
C18C17H18107.4°109.5°
C18C17H19107.4°109.5°
C17C18H20107.4°109.5°
C17C18H21107.4°109.4°
C17C16C25113.8°109.4°
C17C16H15108.0°109.5°
C16C17H18107.5°109.5°
C16C17H19107.4°109.4°
C16C25N5117.0°120.0°
C16C25O120.1°120.1°
C25C16H15108.1°109.5°
N5C25O122.6°120.0°
C25N5H16120.0°120.0°
C25N5H17120.0°120.0°
H8CH9109.4°109.5°
H8CH10109.5°109.5°
H9CH10109.5°109.5°
H12C11H13109.5°109.5°
H16N5H17120.0°120.0°
H18C17H19109.5°109.5°
H20C18H21109.5°109.5°
H23C24H24109.5°109.4°
H25C23H26109.5°109.5°
H27C22H28109.5°109.5°
H29C21H30109.5°109.4°
H31C20H32109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C3C2C1H1180.0°179.6°
C3C2C1C177.1°180.0°
C2C3C4H7180.0°180.0°
C3C2C1C60.2°0.1°
C2C3C4C50.3°0.0°
C2C3C4H2179.7°180.0°
C2C1CC6177.1°179.9°
C1C2C3C40.5°0.1°
C2C1C6C51.0°0.1°
C2C1C6N176.8°180.0°
C1C2C3H7179.5°179.9°
C2C1CH888.6°95.2°
C2C1CH9151.4°144.7°
C2C1CH1031.4°24.8°
CC1C6C5176.1°180.0°
CC1C6N6.1°0.1°
CC1C2H12.9°0.3°
C1CH8H9120.0°120.0°
C1CH8H10120.0°120.0°
C1CH9H10120.0°119.9°
C3C4C5H2180.0°180.0°
C3C4C5C60.6°0.0°
C4C3C2H1179.5°179.7°
C3C4C5H4179.4°180.0°
C1C6NN176.3°47.4°
C1C6C5C41.2°0.0°
C1C6C5N177.8°179.9°
C1C6NC7109.3°132.6°
C6C1C2H1179.8°179.7°
C1C6C5H4178.7°180.0°
C6C1CH888.5°84.7°
C6C1CH931.5°35.4°
C6C1CH10151.5°155.3°
C9N1NC6172.2°180.0°
N1C9C8H6180.0°180.0°
C9N1NC73.0°0.0°
N1C9C8C70.2°0.0°
N1C9C8C10179.0°180.0°
N1NC6C5101.6°132.7°
N1NC6C7174.4°180.0°
NN1C9C81.9°0.0°
N1NC7C83.0°0.0°
N1NC7H5177.0°180.0°
NN1C9H6178.1°180.0°
C4C5C6H4180.0°180.0°
C4C5C6N176.5°180.0°
C5C4C3H7179.7°180.0°
C5C6NC772.8°47.3°
C6C5C4H2179.4°180.0°
C6NC7C8171.8°180.0°
NC6C5H43.5°0.0°
C6NC7H58.2°0.0°
C9C8C7N1.7°0.0°
C9C8C7C10178.9°180.0°
C9C8C10N23.1°0.0°
C9C8C10O2173.1°180.0°
C9C8C7H5178.4°180.0°
NC7C8H5180.0°179.9°
NC7C8C10177.3°180.0°
C7C8C10N2175.5°180.0°
C7C8C10O28.3°0.0°
C7C8C9H6179.8°180.0°
C8C10N2O2176.2°180.0°
C8C10N2C11170.8°180.0°
C10C8C7H52.7°0.0°
C10C8C9H61.0°0.0°
C8C10N2H119.2°0.0°
C10N2C11H11180.0°180.0°
C10N2C11C1293.3°180.0°
C10N2C11H12145.8°60.0°
C10N2C11H1327.6°60.1°
C11N2C10O25.4°0.1°
N2C11C12H12120.9°120.0°
N2C11C12H13120.9°120.0°
N2C11C12S8.8°90.0°
N2C11C12N3173.0°90.0°
N2C11H12H13117.2°120.0°
O2C10N2H11174.6°180.0°
C11C12SN3178.4°180.0°
C11C12SC14177.0°180.0°
C11C12N3C13176.4°180.0°
C12C11N2H1186.7°0.0°
C12C11H12H13117.1°120.0°
SC12N3C132.0°0.0°
C12SC14C130.3°0.0°
C12SC14C15178.3°180.0°
SC12C11H12129.7°150.0°
SC12C11H13112.2°30.0°
N3C12SC141.4°0.0°
C12N3C13C141.7°0.1°
N3C12C11H1252.1°30.0°
N3C12C11H1366.1°150.0°
C12N3C13H14178.3°179.9°
SC14C13N30.7°0.1°
SC14C13C15178.4°180.0°
SC14C15O19.9°179.9°
SC14C15N4165.6°0.0°
SC14C13H14179.3°179.9°
N3C13C14H14180.0°179.9°
N3C13C14C15179.1°180.0°
C22C21C20H29120.2°120.0°
C22C21C20H30120.2°120.1°
C21C22C23H27120.2°120.0°
C21C22C23H28120.2°120.0°
C22C21C20C1956.9°60.1°
C21C22C23C2456.2°60.0°
C21C22C23H2564.1°180.0°
C21C22C23H26176.5°60.0°
C21C22H27H28119.5°120.0°
C22C21H29H30119.4°120.0°
C22C21C20H3163.4°180.0°
C22C21C20H32177.3°59.9°
C20C21C22C2356.9°60.0°
C21C20C19H31120.3°120.0°
C21C20C19H32120.3°120.0°
C21C20C19C2454.6°60.0°
C21C20C19C18178.5°180.0°
C21C20C19H2262.2°59.9°
C20C21C22H27177.1°60.0°
C20C21C22H2863.2°180.0°
C20C21H29H30119.4°120.0°
C21C20H31H32119.1°120.0°
C13C14C15O1171.9°0.0°
C13C14C15N412.7°180.0°
C14C15O1N4175.1°180.0°
C14C15N4C16173.5°180.0°
C14C15N4H36.5°0.0°
C15C14C13H140.9°0.1°
O1C15N4C1611.2°0.0°
O1C15N4H3168.8°179.9°
C22C23C24H25120.3°120.0°
C22C23C24H26120.3°120.0°
C22C23C24C1956.0°60.0°
C22C23C24H23176.5°60.0°
C22C23C24H2464.5°180.0°
C22C23H25H26119.0°119.9°
C23C22H27H28119.5°120.0°
C23C22C21H29177.1°180.0°
C23C22C21H3063.3°60.1°
C20C19C24C2354.2°60.0°
C20C19C24C18126.2°120.0°
C20C19C24H22116.8°119.9°
C20C19C18H22119.4°120.1°
C20C19C18C1752.0°65.1°
C20C19C18H20173.1°54.9°
C20C19C18H2169.2°175.0°
C20C19C24H23174.6°60.0°
C20C19C24H2466.3°180.0°
C19C20C21H29177.1°180.0°
C19C20C21H3063.2°60.0°
C19C20H31H32119.1°120.0°
C15N4C16H3180.0°179.9°
C15N4C16C1789.7°155.0°
C15N4C16C25145.6°85.1°
C15N4C16H1527.7°35.0°
C23C24C19H23120.5°120.0°
C23C24C19H24120.5°120.0°
C23C24C19C18179.6°180.0°
C23C24C19H2262.6°59.9°
C23C24H23H24118.5°120.0°
C24C23H25H26119.0°120.1°
C24C23C22H27176.4°60.0°
C24C23C22H2864.0°180.0°
N4C16C17C18171.6°65.1°
N4C16C17C25122.0°119.9°
N4C16C17H15117.9°120.0°
N4C16C25H15118.4°120.0°
N4C16C25N576.9°180.0°
N4C16C25O97.5°0.1°
N4C16C17H1867.3°54.9°
N4C16C17H1950.4°174.9°
C24C19C18H22117.2°120.0°
C24C19C18C17175.3°175.0°
C24C19C18H2063.5°65.0°
C24C19C18H2154.1°55.0°
C19C24H23H24118.5°119.9°
C19C24C23H2564.4°180.0°
C19C24C23H26176.3°60.0°
C24C19C20H3165.7°180.0°
C24C19C20H32174.9°60.0°
C19C18C17H20121.2°120.0°
C19C18C17H21121.2°120.0°
C19C18C17C1665.5°180.0°
C19C18C17H18173.4°60.0°
C19C18C17H1955.7°60.0°
C19C18H20H21116.3°120.1°
C18C19C24H2359.1°59.9°
C18C19C24H2459.9°60.0°
C18C19C20H3158.2°60.1°
C18C19C20H3261.2°60.0°
C18C17C16H18121.1°120.0°
C18C17C16H19121.1°120.0°
C18C17C16C2566.4°175.0°
C18C17C16H1553.6°55.0°
C18C17H18H19116.3°120.0°
C17C18H20H21116.3°119.9°
C17C18C19H2267.5°55.0°
C17C16C25H15120.0°120.1°
C17C16C25N5161.5°60.1°
C17C16C25O24.0°120.0°
C17C16N4H390.3°24.9°
C16C17H18H19116.4°120.0°
C16C17C18H2055.7°60.0°
C16C17C18H21173.3°60.0°
C16C25N5O174.3°179.9°
C25C16N4H334.4°95.0°
C16C25N5H16174.4°0.1°
C16C25N5H175.7°180.0°
C25C16C17H1854.7°65.0°
C25C16C17H19172.5°55.1°
N5C25C16H1541.5°60.0°
C25N5H16H17180.0°179.9°
OC25C16H15144.0°119.9°
OC25N5H160.0°180.0°
OC25N5H17180.0°0.1°
H1C2C3H70.5°0.3°
H2C4C5H40.6°0.0°
H2C4C3H70.3°0.0°
H3N4C16H15152.3°145.0°
H8CH9H10120.0°120.0°
H11N2C11H1234.2°120.0°
H11N2C11H13152.4°120.0°
H15C16C17H18174.8°175.0°
H15C16C17H1967.5°65.0°
H18C17C18H2065.5°NaN°
H18C17C18H2152.2°60.0°
H19C17C18H20176.8°60.0°
H19C17C18H2165.5°180.0°
H20C18C19H2253.7°175.0°
H21C18C19H22171.4°64.9°
H22C19C24H2357.9°180.0°
H22C19C24H24176.9°60.1°
H22C19C20H31177.4°60.1°
H22C19C20H3258.1°179.9°
H23C24C23H2556.1°60.0°
H23C24C23H2663.2°180.0°
H24C24C23H25175.1°60.0°
H24C24C23H2655.8°60.0°
H25C23C22H2756.1°60.0°
H25C23C22H28175.7°60.0°
H26C23C22H2763.3°180.0°
H26C23C22H2856.4°60.0°
H27C22C21H2962.7°60.0°
H27C22C21H3056.9°179.9°
H28C22C21H2956.9°60.0°
H28C22C21H30176.5°59.9°
H29C21C20H3156.8°60.0°
H29C21C20H3262.6°60.0°
H30C21C20H31176.5°59.9°
H30C21C20H3257.1°180.0°

217705

PDB entries from 2024-03-27

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