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6S5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C17C18doub1.38Å1.38ÅAromatic
C17C15sing1.39Å1.40ÅAromatic
C18C19sing1.38Å1.38ÅAromatic
C16C15sing1.51Å1.51Å
C16N2sing1.47Å1.47Å
C15C14doub1.38Å1.41ÅAromatic
C19C20doub1.38Å1.38ÅAromatic
C7C8sing1.53Å1.53Å
C7C6sing1.53Å1.54Å
C14C20sing1.39Å1.39ÅAromatic
C14C13sing1.51Å1.51Å
C12N2sing1.47Å1.48Å
C12C13sing1.53Å1.53Å
C12C11sing1.51Å1.53Å
C8N1sing1.47Å1.47Å
C6C10sing1.53Å1.53Å
C11N1sing1.35Å1.35Å
C11O2doub1.21Å1.22Å
N1C9sing1.47Å1.47Å
C10C9sing1.53Å1.53Å
C6H1sing1.09Å1.10Å
C7H3sing1.09Å1.10Å
C7H4sing1.09Å1.10Å
C8H5sing1.09Å1.10Å
C8H6sing1.09Å1.10Å
N2H7sing1.01Å1.00Å
C9H9sing1.09Å1.10Å
C9H10sing1.09Å1.10Å
C10H11sing1.09Å1.10Å
C10H12sing1.09Å1.10Å
C12H13sing1.09Å1.10Å
C13H14sing1.09Å1.10Å
C13H15sing1.09Å1.10Å
C16H16sing1.09Å1.10Å
C16H17sing1.09Å1.10Å
C17H18sing1.08Å1.08Å
C18H19sing1.08Å1.08Å
C19H20sing1.08Å1.08Å
C20H21sing1.08Å1.08Å
C6C22sing1.51Å53.99Å
C22N3sing1.35Å0.00Å
N3C5sing1.47Å0.00Å
C5C4sing1.51Å0.00Å
C22O1doub1.21Å0.00Å
C4C3doub1.34Å0.00ÅAromatic
C3C2sing1.41Å0.00ÅAromatic
C2C1doub1.34Å0.00ÅAromatic
C4O3sing1.34Å0.00ÅAromatic
C1O3sing1.34Å0.00ÅAromatic
N3H2sing0.97Å0.00Å
C5H8sing1.09Å0.00Å
C5H22sing1.09Å0.00Å
C3H23sing1.08Å0.00Å
C2H24sing1.08Å0.00Å
C1H25sing1.08Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C18C17C15120.8°120.4°
C17C18C19120.1°119.8°
C18C17H18119.6°119.8°
C17C18H19120.0°120.1°
C17C15C16120.5°118.5°
C17C15C14119.0°119.7°
C15C17H18119.6°119.8°
C18C19C20120.1°119.9°
C19C18H19120.0°120.1°
C18C19H20120.0°120.1°
C15C16N2115.1°110.5°
C16C15C14120.5°121.9°
C15C16H16108.0°109.3°
C15C16H17108.0°109.3°
C16N2C12112.5°110.3°
C16N2H7108.7°111.0°
N2C16H16108.1°109.4°
N2C16H17108.1°109.3°
C15C14C20119.2°119.9°
C15C14C13120.8°121.6°
C19C20C14120.9°120.3°
C20C19H20120.0°120.0°
C19C20H21119.6°119.9°
C8C7C6110.4°109.3°
C7C8N1110.7°108.7°
C8C7H3109.2°109.5°
C8C7H4109.2°109.5°
C7C8H5109.2°109.6°
C7C8H6109.2°109.5°
C7C6C10110.0°109.5°
C7C6H193.0°109.4°
C6C7H3109.3°109.5°
C6C7H4109.3°109.5°
C7C6C2237.2°109.4°
C20C14C13120.0°118.5°
C14C20H21119.6°119.8°
C14C13C12113.0°110.0°
C14C13H14108.6°109.4°
C14C13H15108.6°109.3°
N2C12C13112.1°108.5°
N2C12C11105.2°109.6°
C12N2H7108.7°111.0°
N2C12H13110.7°109.6°
C13C12C11108.7°109.6°
C13C12H13110.0°109.6°
C12C13H14108.6°109.4°
C12C13H15108.6°109.4°
C12C11N1119.1°120.0°
C12C11O2118.8°120.0°
C11C12H13110.0°109.8°
C8N1C11127.9°120.6°
C8N1C9110.0°118.8°
N1C8H5109.2°109.6°
N1C8H6109.1°109.6°
C6C10C9110.5°109.3°
C10C6H193.0°109.5°
C6C10H11109.2°109.5°
C6C10H12109.2°109.5°
C10C6C2273.2°109.5°
N1C11O2122.0°120.0°
C11N1C9122.0°120.6°
N1C9C10111.0°108.8°
N1C9H9109.1°109.6°
N1C9H10109.1°109.6°
C10C9H9109.1°109.6°
C10C9H10109.1°109.7°
C9C10H11109.2°109.5°
C9C10H12109.2°109.5°
H1C6C2290.1°109.5°
H3C7H4109.4°109.5°
H5C8H6109.5°109.7°
H9C9H10109.5°109.6°
H11C10H12109.5°109.5°
H14C13H15109.5°109.4°
H16C16H17109.5°109.1°
C6C22N390.0°120.0°
C6C22O190.0°120.0°
C22N3C590.0°120.0°
N3C22O190.0°120.0°
C22N3H290.0°120.1°
N3C5C490.0°109.5°
C5N3H290.0°120.0°
N3C5H890.0°109.5°
N3C5H2290.0°109.4°
C5C4C390.0°125.8°
C5C4O390.0°125.8°
C4C5H890.0°109.5°
C4C5H2290.0°109.5°
C4C3C290.0°106.8°
C3C4O390.0°108.4°
C4C3H2390.0°126.6°
C3C2C190.0°106.9°
C2C3H2390.0°126.6°
C3C2H2490.0°126.6°
C2C1O390.0°108.4°
C1C2H2490.0°126.6°
C2C1H2590.0°125.8°
C4O3C190.0°109.5°
O3C1H2590.0°125.8°
H8C5H2290.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C18C17C15H18180.0°180.0°
C17C18C19H19180.0°180.0°
C18C17C15C16177.9°179.7°
C18C17C15C140.0°0.1°
C17C18C19C200.3°0.1°
C17C18C19H20179.7°179.9°
C15C17C18C191.1°0.0°
C17C15C16C14177.9°179.9°
C17C15C16N2163.5°162.5°
C17C15C14C201.9°0.2°
C17C15C14C13175.5°179.6°
C17C15C16H1642.7°77.1°
C17C15C16H1775.7°42.2°
C15C17C18H19178.9°180.0°
C18C19C20H20180.0°180.0°
C18C19C20C141.6°0.1°
C19C18C17H18178.9°180.0°
C18C19C20H21178.4°179.9°
C15C16N2H16120.8°120.3°
C15C16N2H17120.8°120.3°
C16C15C14C20176.0°179.7°
C16C15C14C136.6°0.5°
C15C16N2C1244.6°52.6°
C15C16N2H775.8°70.8°
C15C16H16H17117.4°119.4°
C16C15C17H182.1°0.3°
N2C16C15C1418.6°17.6°
C16N2C12H7120.5°123.4°
C16N2C12C1358.7°71.3°
C16N2C12C11176.8°169.0°
C16N2C12H1364.5°48.4°
N2C16H16H17117.5°119.5°
C15C14C20C192.8°0.1°
C15C14C20C13177.5°179.8°
C15C14C13C1219.7°16.9°
C15C14C13H14140.2°103.3°
C15C14C13H15100.8°137.0°
C14C15C16H16139.5°102.8°
C14C15C16H17102.2°137.9°
C14C15C17H18180.0°179.8°
C15C14C20H21177.3°179.9°
C19C20C14H21180.0°180.0°
C19C20C14C13174.7°179.7°
C20C19C18H19179.7°179.9°
C8C7C6H3120.1°120.0°
C8C7C6H4120.1°120.0°
C7C8N1H5120.2°119.8°
C7C8N1H6120.2°119.7°
C8C7C6C1053.6°61.4°
C7C8N1C11120.5°126.4°
C7C8N1C961.6°53.6°
C8C7C6H140.8°58.7°
C8C7H3H4119.6°120.1°
C7C8H5H6119.5°120.3°
C8C7C6C2245.3°178.6°
C6C7C8N158.1°54.6°
C7C6C10H194.4°120.0°
C7C6C10C225.2°120.0°
C7C6C10C953.0°61.3°
C7C6H1C2237.1°119.9°
C6C7H3H4119.6°120.1°
C6C7C8H562.1°65.2°
C6C7C8H6178.3°174.4°
C7C6C10H1167.2°178.7°
C7C6C10H12173.2°58.6°
C7C6C22N390.0°59.9°
C7C6C22O190.0°120.1°
C20C14C13C12162.8°163.3°
C20C14C13H1442.3°76.6°
C20C14C13H1576.6°43.2°
C14C20C19H20178.3°179.9°
C14C13C12N245.2°50.4°
C14C13C12H14120.5°120.2°
C14C13C12H15120.5°120.0°
C14C13C12C11161.2°170.1°
C14C13C12H1378.4°69.3°
C14C13H14H15118.4°119.7°
C13C14C20H215.3°0.3°
N2C12C13C11115.9°119.7°
N2C12C13H13123.6°119.7°
N2C12C11H13119.3°120.5°
N2C12C11N1168.8°160.0°
N2C12C11O215.6°20.0°
N2C12C13H14165.7°69.8°
N2C12C13H1575.3°170.4°
C12N2C16H16165.4°67.8°
C12N2C16H1776.2°172.9°
C13C12C11H13120.4°120.5°
C13C12C11N170.9°81.0°
C13C12C11O2104.7°99.0°
C13C12N2H761.7°52.2°
C12C13H14H15118.4°119.8°
C12C11N1C87.0°0.0°
C12C11N1O2175.4°180.0°
C12C11N1C9170.6°180.0°
C11C12N2H756.3°67.5°
C11C12C13H1478.3°49.9°
C11C12C13H1540.7°69.9°
C8N1C11C9177.6°180.0°
C8N1C11O2177.5°180.0°
C8N1C9C1061.1°53.6°
N1C8C7H362.1°65.3°
N1C8C7H4178.2°174.6°
N1C8H5H6119.4°120.4°
C8N1C9H959.1°173.4°
C8N1C9H10178.7°66.3°
C6C10C9N157.1°54.6°
C6C10C9H11120.2°120.0°
C6C10C9H12120.1°119.9°
C10C6H1C2273.2°120.0°
C10C6C7H366.6°58.6°
C10C6C7H4173.7°178.7°
C6C10C9H963.1°174.4°
C6C10C9H10177.3°65.2°
C6C10H11H12119.5°120.1°
C10C6C22N390.0°180.0°
C10C6C22O190.0°0.0°
C11N1C9C10120.9°126.4°
C11N1C8H5119.3°113.8°
C11N1C8H60.3°6.7°
C11N1C9H9118.9°6.6°
C11N1C9H100.7°113.7°
N1C11C12H1349.5°39.5°
O2C11N1C94.8°0.0°
O2C11C12H13134.9°140.5°
N1C9C10H9120.2°119.8°
N1C9C10H10120.2°119.8°
C9N1C8H558.6°66.1°
C9N1C8H6178.2°173.4°
N1C9H9H10119.3°120.3°
N1C9C10H1163.1°174.6°
N1C9C10H12177.2°65.3°
C9C10C6H141.4°58.7°
C10C9H9H10119.3°120.4°
C9C10H11H12119.5°120.1°
C9C10C6C2247.8°178.7°
H1C6C7H3160.9°178.6°
H1C6C7H479.3°61.3°
H1C6C10H11161.5°61.3°
H1C6C10H1278.8°178.6°
H1C6C22N390.0°60.0°
H1C6C22O190.0°120.0°
H3C7C8H5177.7°174.9°
H3C7C8H658.1°54.4°
H3C7C6C2274.8°61.4°
H4C7C8H558.0°54.8°
H4C7C8H661.6°65.6°
H4C7C6C22165.4°58.6°
H7N2C12H13175.1°171.9°
H7N2C16H1645.0°168.8°
H7N2C16H17163.4°49.4°
H9C9C10H11176.7°65.6°
H9C9C10H1257.0°54.5°
H10C9C10H1157.1°54.8°
H10C9C10H1262.6°174.9°
H11C10C6C2272.4°58.7°
H12C10C6C22168.0°61.4°
H13C12C13H1442.1°170.5°
H13C12C13H15161.1°50.7°
H18C17C18H191.1°0.1°
H19C18C19H200.3°0.1°
H20C19C20H211.6°0.1°
C6C22N3O190.0°180.0°
C6C22N3C590.0°180.0°
C6C22N3H290.0°0.1°
C22N3C5H290.0°180.0°
C22N3C5C490.0°180.0°
C22N3C5H890.0°60.0°
C22N3C5H2290.0°60.0°
N3C5C4H890.0°120.0°
N3C5C4H2290.0°120.0°
C5N3C22O190.0°0.0°
N3C5C4C390.0°90.0°
N3C5C4O390.0°90.3°
N3C5H8H2290.0°120.0°
C5C4C3O390.0°179.8°
C5C4C3C290.0°180.0°
C5C4O3C190.0°179.8°
C4C5N3H290.0°0.1°
C4C5H8H2290.0°120.0°
C5C4C3H2390.0°0.0°
O1C22N3H290.0°180.0°
C4C3C2H2390.0°180.0°
C4C3C2C190.0°0.0°
C3C4O3C190.0°0.4°
C3C4C5H890.0°30.0°
C3C4C5H2290.0°150.0°
C4C3C2H2490.0°180.0°
C3C2C1H2490.0°180.0°
C2C3C4O390.0°0.2°
C3C2C1O390.0°0.3°
C3C2C1H2590.0°180.0°
C2C1O3C490.0°0.4°
C2C1O3H2590.0°179.8°
C1C2C3H2390.0°180.0°
O3C4C5H890.0°149.7°
O3C4C5H2290.0°29.7°
O3C4C3H2390.0°179.8°
C4O3C1H2590.0°179.8°
O3C1C2H2490.0°179.8°
H2N3C5H890.0°119.9°
H2N3C5H2290.0°120.1°
H23C3C2H2490.0°0.0°
H24C2C1H2590.0°0.0°

222415

PDB entries from 2024-07-10

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