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D97

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C18O3sing1.43Å1.43Å
C18C19sing1.53Å1.51Å
O3C17sing1.43Å1.42Å
C19N2sing1.47Å1.50Å
N2C16sing1.47Å1.50Å
N2C14sing1.47Å1.54Å
C17C16sing1.53Å1.51Å
O2C15sing1.43Å1.42Å
C15C14sing1.53Å1.57Å
C15C10sing1.53Å1.59Å
N1C10sing1.47Å1.50Å
N1C9sing1.47Å1.50Å
C14C13sing1.54Å1.55Å
O1C13sing1.44Å1.41Å
O1C11sing1.45Å1.44Å
C10C11sing1.54Å1.55Å
C9C7sing1.51Å1.50Å
C13Osing1.44Å1.42Å
C11C12sing1.55Å1.51Å
C6C7doub1.37Å1.37ÅAromatic
C6C4sing1.41Å1.40ÅAromatic
C7C8sing1.39Å1.39ÅAromatic
OC12sing1.44Å1.44Å
C5C4doub1.40Å1.41ÅAromatic
C5Csing1.36Å1.36ÅAromatic
C4C3sing1.42Å1.41ÅAromatic
C8Ndoub1.31Å1.32ÅAromatic
CC1doub1.39Å1.39ÅAromatic
C3Nsing1.34Å1.37ÅAromatic
C3C2doub1.41Å1.41ÅAromatic
C1C2sing1.36Å1.37ÅAromatic
C5H1sing1.08Å1.08Å
C6H2sing1.08Å1.08Å
N1H3sing1.01Å1.00Å
C8H5sing1.08Å1.08Å
C9H7sing1.09Å1.10Å
C9H8sing1.09Å1.10Å
C10H9sing1.09Å1.10Å
C11H10sing1.09Å1.10Å
C12H11sing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C13H13sing1.09Å1.10Å
C14H14sing1.09Å1.10Å
C15H15sing1.09Å1.10Å
O2H16sing0.97Å0.95Å
C19H17sing1.09Å1.10Å
C19H18sing1.09Å1.10Å
C18H19sing1.09Å1.10Å
C18H20sing1.09Å1.10Å
C17H21sing1.09Å1.10Å
C17H22sing1.09Å1.10Å
C16H23sing1.09Å1.10Å
C16H24sing1.09Å1.10Å
CH25sing1.08Å1.08Å
C2H26sing1.08Å1.08Å
C1H27sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O3C18C19111.5°109.2°
C18O3C17111.2°113.7°
O3C18H19108.9°109.5°
O3C18H20109.0°109.5°
C18C19N2109.7°109.3°
C18C19H17109.4°109.5°
C18C19H18109.4°109.5°
C19C18H19109.0°109.5°
C19C18H20108.9°109.5°
O3C17C16111.5°109.3°
O3C17H21108.9°109.5°
O3C17H22109.0°109.5°
C19N2C16109.1°110.8°
C19N2C14114.6°111.0°
N2C19H17109.4°109.5°
N2C19H18109.4°109.5°
C16N2C14114.7°111.0°
N2C16C17109.6°109.3°
N2C16H23109.4°109.5°
N2C16H24109.5°109.6°
N2C14C15109.1°109.6°
N2C14C13114.3°109.6°
N2C14H14109.2°109.6°
C16C17H21109.0°109.5°
C16C17H22109.0°109.5°
C17C16H23109.5°109.5°
C17C16H24109.4°109.5°
O2C15C14103.9°109.6°
O2C15C10106.5°109.5°
O2C15H15113.6°109.6°
C15O2H16109.5°114.0°
C14C15C10110.2°109.3°
C15C14C13106.3°108.8°
C15C14H14108.8°109.7°
C14C15H15111.2°109.5°
C15C10N1111.3°109.7°
C15C10C11107.9°108.5°
C15C10H9108.9°109.8°
C10C15H15111.0°109.5°
C10N1C9113.9°111.0°
N1C10C11109.3°109.6°
C10N1H3108.4°111.1°
N1C10H9110.1°109.7°
N1C9C7112.2°109.5°
C9N1H3108.4°111.0°
N1C9H7108.8°109.4°
N1C9H8108.8°109.4°
C14C13O1109.6°107.5°
C14C13O110.3°108.2°
C14C13H13109.0°112.1°
C13C14H14109.0°109.6°
C13O1C11102.6°102.7°
O1C13O106.1°105.9°
O1C13H13110.9°111.5°
O1C11C10108.3°107.1°
O1C11C12100.7°102.6°
O1C11H10112.6°113.4°
C10C11C12112.4°107.7°
C11C10H9109.4°109.6°
C10C11H10110.9°112.5°
C9C7C6119.7°120.0°
C9C7C8123.1°120.1°
C7C9H7108.8°109.5°
C7C9H8108.8°109.5°
C13OC12107.1°106.9°
OC13H13110.9°111.4°
C11C12O103.6°104.9°
C12C11H10111.4°112.7°
C11C12H11110.9°110.3°
C11C12H12110.9°110.4°
C7C6C4121.1°118.1°
C6C7C8117.1°119.9°
C7C6H2119.4°120.9°
C6C4C5123.8°121.4°
C6C4C3117.3°119.0°
C4C6H2119.4°121.0°
C7C8N125.0°121.7°
C7C8H5117.5°119.2°
OC12H11110.9°110.3°
OC12H12110.9°110.4°
C4C5C120.6°119.6°
C5C4C3118.8°119.6°
C4C5H1119.7°120.2°
C5CC1120.6°120.8°
CC5H1119.7°120.2°
C5CH25119.7°119.6°
C4C3N121.7°119.8°
C4C3C2119.0°119.1°
C8NC3117.7°121.3°
NC8H5117.5°119.1°
CC1C2120.7°121.1°
C1CH25119.7°119.6°
CC1H27119.7°119.4°
NC3C2119.3°121.1°
C3C2C1120.3°119.7°
C3C2H26119.8°120.2°
C1C2H26119.8°120.1°
C2C1H27119.7°119.5°
H7C9H8109.4°109.5°
H11C12H12109.5°110.3°
H17C19H18109.5°109.6°
H19C18H20109.5°109.6°
H21C17H22109.5°109.5°
H23C16H24109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O3C18C19H19120.3°119.9°
O3C18C19H20120.3°119.9°
O3C18C19N263.0°56.8°
C18O3C17C1651.9°58.7°
O3C18C19H1757.0°176.8°
O3C18C19H18177.0°63.1°
O3C18H19H20119.1°120.1°
C18O3C17H21172.2°61.3°
C18O3C17H2268.4°178.6°
C19C18O3C1710.0°58.6°
C18C19N2H17120.0°119.9°
C18C19N2H18120.0°119.9°
C18C19N2C1649.2°58.6°
C18C19N2C14179.3°177.6°
C18C19H17H18119.9°120.1°
C19C18H19H20119.0°120.1°
O3C17C16N263.5°56.8°
O3C17C16H21120.3°120.0°
O3C17C16H22120.3°119.9°
C17O3C18H19130.3°178.6°
C17O3C18H20110.3°61.2°
O3C17H21H22119.1°120.1°
O3C17C16H23176.5°63.1°
O3C17C16H2456.5°176.9°
C19N2C16C14130.1°123.8°
C19N2C16C179.3°58.6°
C19N2C14C1578.2°170.9°
C19N2C14C1340.7°51.5°
C19N2C14H14163.0°68.7°
N2C19H17H18119.9°120.2°
N2C19C18H19176.7°176.8°
N2C19C18H2057.3°63.1°
C19N2C16H23129.4°61.3°
C19N2C16H24110.7°178.6°
N2C16C17H23120.0°120.0°
N2C16C17H24120.0°120.0°
C16N2C14C15154.5°65.5°
C16N2C14C1386.7°175.2°
C16N2C14H1435.7°54.9°
C16N2C19H1770.9°178.5°
C16N2C19H18169.2°61.3°
N2C16C17H21176.2°63.1°
N2C16C17H2256.8°176.8°
N2C16H23H24120.0°120.2°
C14N2C16C17120.7°177.6°
N2C14C15O275.2°171.8°
N2C14C15C13123.7°119.8°
N2C14C15H14119.0°120.4°
N2C14C15C10170.9°68.2°
N2C14C13H14122.4°120.3°
N2C14C13O1105.2°55.9°
N2C14C13O138.4°169.9°
N2C14C13H1316.4°66.9°
N2C14C15H1547.4°51.6°
C14N2C19H1759.3°57.7°
C14N2C19H1860.7°62.5°
C14N2C16H230.7°62.5°
C14N2C16H24119.2°57.6°
C16C17H21H22119.1°120.1°
C17C16H23H24119.9°120.0°
O2C15C14C10113.8°120.0°
O2C15C14H15122.6°120.1°
O2C15C10H15124.1°120.1°
O2C15C10N177.0°172.4°
O2C15C14C13161.1°68.4°
O2C15C10C11163.0°68.0°
O2C15C10H944.5°51.8°
O2C15C14H1443.8°51.4°
C14C15C10H15123.7°119.8°
C14C15C10N1170.8°67.6°
C15C14C13H14117.2°119.9°
C15C14C13O115.2°64.0°
C14C15C10C1150.9°52.1°
C15C14C13O101.2°50.0°
C14C15C10H967.7°171.8°
C15C14C13H13136.8°173.2°
C14C15O2H16180.0°180.0°
C15C10N1C11119.1°119.0°
C15C10N1H9120.8°120.6°
C15C10N1C9176.7°153.3°
C10C15C14C1347.3°51.6°
C15C10C11O18.7°64.8°
C15C10C11H9118.2°119.8°
C15C10C11C12101.7°45.0°
C15C10N1H362.6°82.6°
C15C10C11H10132.8°169.9°
C10C15C14H1470.0°171.4°
C10C15O2H1663.6°60.1°
C10N1C9H3120.7°124.0°
N1C10C11O1112.4°55.0°
N1C10C11H9120.6°120.4°
C10N1C9C747.9°180.0°
N1C10C11C12137.2°164.7°
C10N1C9H772.5°59.9°
C10N1C9H8168.3°60.0°
N1C10C11H1011.7°70.4°
N1C10C15H1547.1°52.2°
C9N1C10C1164.2°87.6°
N1C9C7H7120.4°120.0°
N1C9C7H8120.4°120.0°
N1C9C7C654.1°90.0°
N1C9C7C8124.4°90.0°
N1C9H7H8118.8°120.0°
C9N1C10H955.9°32.7°
C14C13O1O119.1°115.5°
C14C13O1H13120.4°123.2°
C14C13O1C1179.0°74.7°
C14C13OH13120.9°123.6°
C14C13OC1299.9°89.0°
C13C14C15H1576.3°171.5°
C13O1C11C1074.1°75.2°
O1C13OH13120.5°121.3°
C13O1C11C1244.0°38.1°
O1C13OC1218.7°26.1°
C13O1C11H10162.8°160.0°
O1C13C14H14132.4°176.2°
O1C11C10C12110.4°109.8°
O1C11C10H10124.1°125.3°
C11O1C13O40.1°40.8°
O1C11C12H10119.7°122.4°
O1C11C12O32.5°22.8°
O1C11C10H9127.0°175.4°
O1C11C12H1186.6°96.1°
O1C11C12H12151.5°141.8°
C11O1C13H13160.6°162.1°
C10C11C12H10125.2°124.7°
C10C11C12O82.6°90.1°
C11C10N1H356.4°36.4°
C10C11C12H11158.3°151.1°
C10C11C12H1236.4°28.9°
C11C10C15H1572.8°171.9°
C9C7C6C8178.6°179.9°
C9C7C6C4177.8°180.0°
C9C7C8N178.8°179.9°
C9C7C6H22.2°0.0°
C7C9N1H3168.5°56.0°
C9C7C8H51.2°0.1°
C7C9H7H8118.7°120.0°
C13OC12C119.0°1.7°
C13OC12H11110.0°120.5°
C13OC12H12128.1°117.3°
OC13C14H1416.0°69.9°
C11C12OH11119.1°118.8°
C11C12OH12119.0°119.0°
C12C11C10H916.6°74.8°
C11C12H11H12122.7°122.2°
C7C6C4H2180.0°180.0°
C7C6C4C5176.4°179.7°
C7C6C4C31.2°0.0°
C6C7C8N0.3°0.0°
C6C7C8H5179.8°180.0°
C6C7C9H7174.5°29.9°
C6C7C9H866.3°150.0°
C4C6C7C80.8°0.0°
C6C4C5C3177.5°179.7°
C6C4C5C177.3°179.7°
C6C4C3N0.5°0.0°
C6C4C3C2178.2°179.7°
C6C4C5H12.7°0.2°
C7C8NH5180.0°180.0°
C7C8NC30.9°0.1°
C8C7C6H2179.2°180.0°
C8C7C9H74.0°150.0°
C8C7C9H8115.1°30.0°
OC12C11H10152.1°145.2°
OC12H11H12122.7°122.3°
C12OC13H13139.2°147.4°
C4C5CH1180.0°180.0°
C4C5CC10.6°0.0°
C5C4C3N177.2°179.8°
C5C4C3C20.5°0.0°
C5C4C6H23.6°0.3°
C4C5CH25179.4°180.0°
CC5C4C30.2°0.0°
C5CC1H25180.0°180.0°
C5CC1C20.2°0.0°
C5CC1H27179.7°180.0°
C4C3NC80.5°0.1°
C4C3NC2177.7°179.7°
C4C3C2C10.9°0.0°
C3C4C5H1179.8°180.0°
C3C4C6H2178.9°180.0°
C4C3C2H26179.1°179.9°
C8NC3C2177.2°179.7°
CC1C2C30.5°0.0°
CC1C2H27180.0°180.0°
C1CC5H1179.4°180.0°
CC1C2H26179.5°180.0°
NC3C2C1176.9°179.8°
C3NC8H5179.1°180.0°
NC3C2H263.1°0.3°
C3C2C1H26180.0°179.9°
C3C2C1H27179.5°180.0°
C2C1CH25179.8°180.0°
H1C5CH250.6°0.1°
H3N1C9H748.1°176.0°
H3N1C9H871.0°64.0°
H3N1C10H9176.6°156.7°
H9C10C11H10108.9°50.0°
H9C10C15H15168.6°68.4°
H10C11C12H1133.1°26.3°
H10C11C12H1288.8°95.8°
H13C13C14H14106.0°53.4°
H14C14C15H15166.4°68.7°
H15C15O2H1659.0°59.9°
H17C19C18H1963.2°63.3°
H17C19C18H20177.4°56.9°
H18C19C18H1956.7°56.8°
H18C19C18H2062.7°177.0°
H21C17C16H2356.2°176.9°
H21C17C16H2463.7°56.9°
H22C17C16H2363.2°56.8°
H22C17C16H24176.8°63.2°
H25CC1H270.3°0.0°
H26C2C1H270.5°0.1°

223532

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