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11M

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C4C5doub1.38Å1.46ÅAromatic
C4C3sing1.39Å1.42ÅAromatic
C5C6sing1.38Å1.47ÅAromatic
C6C1doub1.38Å1.46ÅAromatic
C6C30sing1.51Å1.54Å
C8C15sing1.54Å1.52Å
C8O13sing1.44Å1.45Å
C10C15sing1.52Å1.56Å
C10C11sing1.53Å1.55Å
C13N22sing1.47Å1.46Å
C13C14sing1.53Å1.55Å
C15C2sing1.51Å1.53Å
C15C14sing1.52Å1.57Å
C17N22sing1.35Å1.46Å
C17O61doub1.22Å1.19Å
C17C39sing1.40Å1.52Å
C22C42doub1.39Å1.49ÅAromatic
C22S44sing1.70Å1.63ÅAromatic
C22S59sing1.76Å1.80Å
C24C42sing1.42Å1.39ÅAromatic
C24C25doub1.36Å1.49ÅAromatic
C26C25sing1.39Å1.53ÅAromatic
C26C27doub1.36Å1.49ÅAromatic
C1C2sing1.38Å1.43ÅAromatic
C2C3doub1.39Å1.50ÅAromatic
C3O13sing1.36Å1.46Å
C11N22sing1.47Å1.48Å
C30N64sing1.47Å1.46Å
C39C41doub1.40Å1.54ÅAromatic
C39S44sing1.75Å1.55ÅAromatic
C41C42sing1.45Å1.62ÅAromatic
C41C27sing1.42Å1.39ÅAromatic
S59C29sing1.81Å1.82Å
C4H4sing1.08Å1.08Å
C5H5sing1.08Å1.08Å
C8H8sing1.09Å1.10Å
C8H8Asing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C10H10Asing1.09Å1.10Å
C13H13sing1.09Å1.10Å
C13H13Asing1.09Å1.10Å
C24H24sing1.08Å1.08Å
C26H26sing1.08Å1.08Å
C1H1sing1.08Å1.08Å
C11H11sing1.09Å1.10Å
C11H11Asing1.09Å1.10Å
C14H14sing1.09Å1.10Å
C14H14Asing1.09Å1.10Å
C30H30sing1.09Å1.10Å
C30H30Asing1.09Å1.10Å
N64HN64sing1.01Å1.00Å
N64HN6Asing1.01Å1.00Å
C25H25sing1.08Å1.08Å
C27H27sing1.08Å1.08Å
C29H29sing1.09Å1.10Å
C29H29Asing1.09Å1.10Å
C29H29Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C5C4C3118.7°120.3°
C4C5C6120.4°120.3°
C5C4H4120.7°119.9°
C4C5H5119.8°119.9°
C4C3C2121.2°118.9°
C4C3O13131.7°129.9°
C3C4H4120.7°119.8°
C5C6C1120.9°119.8°
C5C6C30118.7°120.1°
C6C5H5119.8°119.8°
C1C6C30120.4°120.1°
C6C1C2118.5°120.1°
C6C1H1120.8°119.9°
C6C30N64108.0°109.5°
C6C30H30109.9°109.4°
C6C30H30A110.3°109.5°
C15C8O13103.5°102.6°
C8C15C10121.2°110.4°
C8C15C2104.1°102.6°
C8C15C14108.8°110.4°
C15C8H8111.5°110.8°
C15C8H8A112.7°110.8°
C8O13C3106.8°109.3°
O13C8H8111.5°110.8°
O13C8H8A112.8°110.8°
C15C10C11108.9°109.4°
C10C15C2103.1°110.8°
C10C15C14114.3°111.3°
C15C10H10109.6°109.5°
C15C10H10A109.8°109.5°
C10C11N22110.5°108.7°
C11C10H10109.7°109.5°
C11C10H10A109.8°109.6°
C10C11H11109.1°109.6°
C10C11H11A108.9°109.6°
N22C13C14111.5°108.7°
C13N22C17117.1°120.6°
C13N22C11121.1°118.8°
N22C13H13108.8°109.6°
N22C13H13A108.3°109.6°
C13C14C15110.4°109.4°
C14C13H13108.8°109.6°
C14C13H13A108.3°109.5°
C13C14H14109.2°109.5°
C13C14H14A109.0°109.5°
C2C15C14102.9°110.9°
C15C2C1134.6°132.6°
C15C2C3105.0°106.8°
C15C14H14109.2°109.4°
C15C14H14A109.0°109.5°
N22C17O61120.7°120.0°
N22C17C39119.3°120.0°
C17N22C11119.1°120.6°
O61C17C39117.8°120.0°
C17C39C41124.8°124.7°
C17C39S44125.3°124.6°
C42C22S44109.8°112.1°
C42C22S59126.4°124.0°
C22C42C24132.4°129.3°
C22C42C41107.5°112.4°
S44C22S59123.8°123.9°
C22S44C39105.4°93.0°
C22S59C29108.4°100.0°
C42C24C25119.6°120.2°
C24C42C41120.0°118.3°
C42C24H24120.2°119.9°
C24C25C26120.8°121.4°
C25C24H24120.2°119.9°
C24C25H25119.6°119.3°
C25C26C27119.2°121.3°
C25C26H26120.4°119.3°
C26C25H25119.6°119.3°
C26C27C41120.1°120.1°
C27C26H26120.4°119.4°
C26C27H27119.9°119.9°
C1C2C3120.2°120.6°
C2C1H1120.7°120.0°
C2C3O13107.1°111.2°
N22C11H11109.1°109.6°
N22C11H11A108.9°109.5°
N64C30H30110.0°109.5°
N64C30H30A110.3°109.5°
C30N64HN64109.5°111.0°
C30N64HN6A109.4°111.0°
C41C39S44109.8°110.7°
C39C41C42107.5°111.7°
C39C41C27132.2°129.6°
C42C41C27120.3°118.7°
C41C27H27120.0°119.9°
S59C29H29109.5°109.5°
S59C29H29A109.5°109.5°
S59C29H29B109.5°109.5°
H8C8H8A105.0°110.8°
H10C10H10A109.1°109.5°
H13C13H13A111.1°109.8°
H11C11H11A110.3°109.8°
H14C14H14A110.2°109.5°
H30C30H30A108.3°109.4°
HN64N64HN6A109.5°111.0°
H29C29H29A109.5°109.4°
H29C29H29B109.5°109.5°
H29AC29H29B109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C5C4C3H4180.0°179.8°
C4C5C6H5180.0°179.9°
C4C5C6C10.2°0.1°
C4C5C6C30179.8°179.9°
C5C4C3C20.7°0.5°
C5C4C3O13179.9°178.9°
C3C4C5C60.1°0.1°
C4C3O13C8155.6°161.9°
C4C3C2C15177.5°179.4°
C4C3C2C11.4°0.6°
C4C3C2O13179.4°179.5°
C3C4C5H5179.9°179.9°
C5C6C1C30179.6°179.9°
C5C6C1C20.8°0.1°
C5C6C30N6497.7°90.0°
C6C5C4H4179.9°179.6°
C5C6C1H1179.2°179.9°
C5C6C30H30142.2°149.9°
C5C6C30H30A22.8°30.0°
C6C1C2C15176.2°179.6°
C6C1C2H1180.0°180.0°
C6C1C2C31.4°0.4°
C1C6C30N6481.9°90.0°
C1C6C5H5179.8°179.8°
C1C6C30H3038.1°30.0°
C1C6C30H30A157.5°149.9°
C30C6C1C2179.5°180.0°
C6C30N64H30120.0°120.0°
C6C30N64H30A120.6°120.0°
C30C6C5H50.2°0.2°
C30C6C1H10.5°0.0°
C6C30H30H30A120.6°119.9°
C6C30N64HN6422.3°180.0°
C6C30N64HN6A97.7°56.0°
C15C8O13H8120.0°118.3°
C15C8O13H8A122.2°118.3°
C8C15C10C2115.8°113.0°
C8C15C10C14133.4°123.0°
C8C15C10C1178.4°63.3°
C8C15C14C1386.6°63.4°
C8C15C2C14113.5°117.9°
C8C15C2C1156.6°164.8°
C8C15C2C318.7°15.2°
C15C8O13C336.7°27.1°
C15C8H8H8A122.4°123.4°
C8C15C10H1041.6°56.6°
C8C15C10H10A161.4°176.6°
C8C15C14H1433.4°56.6°
C8C15C14H14A153.8°176.6°
O13C8C15C1081.3°93.3°
O13C8C15C233.9°24.9°
O13C8C15C14143.0°143.2°
C8O13C3C225.1°18.6°
O13C8H8H8A122.4°123.4°
C15C10C11H10120.0°119.9°
C15C10C11H10A120.2°120.0°
C10C15C14C1352.3°59.7°
C10C15C2C14119.1°124.1°
C10C15C2C176.0°77.3°
C10C15C2C3108.7°102.7°
C15C10C11N2250.7°53.6°
C10C15C8H838.6°25.0°
C10C15C8H8A156.5°148.4°
C15C10H10H10A120.2°120.0°
C15C10C11H1169.3°66.2°
C15C10C11H11A170.3°173.3°
C10C15C14H14172.3°179.7°
C10C15C14H14A67.3°60.3°
C10C11N22C1351.8°54.3°
C11C10C15C2165.8°176.4°
C11C10C15C1455.0°59.7°
C10C11N22C17109.1°125.7°
C10C11N22H11120.0°119.8°
C10C11N22H11A119.6°119.7°
C11C10H10H10A120.2°120.1°
C10C11H11H11A119.6°120.4°
N22C13C14H13120.0°119.8°
N22C13C14H13A119.1°119.7°
N22C13C14C1545.5°53.5°
C13N22C17C11161.7°179.9°
C13N22C17O6111.3°5.7°
C13N22C17C39174.1°174.4°
N22C13H13H13A119.2°120.4°
C13N22C11H1168.2°65.5°
C13N22C11H11A171.4°174.0°
N22C13C14H14165.6°173.5°
N22C13C14H14A74.1°66.5°
C13C14C15C2163.4°176.4°
C13C14C15H14120.0°120.0°
C13C14C15H14A119.6°120.0°
C14C13N22C17112.4°125.8°
C14C13N22C1148.9°54.3°
C14C13H13H13A119.2°120.4°
C13C14H14H14A119.6°120.1°
C15C2C1C3174.8°180.0°
C15C2C3O133.1°1.1°
C2C15C8H8153.9°143.2°
C2C15C8H8A88.3°93.4°
C2C15C10H1074.2°56.4°
C2C15C10H10A45.6°63.6°
C15C2C1H13.8°0.4°
C2C15C14H1476.6°56.5°
C2C15C14H14A43.7°63.5°
C14C15C2C143.2°46.9°
C14C15C2C3132.2°133.1°
C14C15C8H897.0°98.6°
C14C15C8H8A20.9°24.9°
C14C15C10H10175.0°179.7°
C14C15C10H10A65.3°60.3°
C15C14C13H1374.4°66.3°
C15C14C13H13A164.7°173.2°
C15C14H14H14A119.7°120.0°
N22C17O61C39163.0°179.9°
N22C17C39C4153.8°135.1°
N22C17C39S44131.8°45.0°
C17N22C13H13127.6°114.4°
C17N22C13H13A6.7°6.1°
C17N22C11H11130.9°114.5°
C17N22C11H11A10.5°6.0°
O61C17N22C11173.0°174.4°
O61C17C39C41109.5°44.8°
O61C17C39S4464.9°135.1°
C17C39S44C22176.0°179.9°
C39C17N22C1124.2°5.6°
C17C39C41S44175.2°179.9°
C17C39C41C42175.9°179.9°
C17C39C41C274.8°0.1°
C42C22S44S59179.3°179.8°
C22C42C24C41179.4°180.0°
C22C42C24C25179.8°180.0°
C22C42C41C390.2°0.0°
C42C22S44C390.7°0.0°
C22C42C41C27179.7°180.0°
C42C22S59C29102.9°180.0°
C22C42C24H240.2°0.0°
S44C22C42C24179.8°180.0°
C22S44C39C410.9°0.0°
S44C22C42C410.3°0.0°
S44C22S59C2976.4°0.3°
S59C22C42C240.9°0.3°
S59C22S44C39179.9°179.7°
S59C22C42C41179.6°179.7°
C22S59C29H2990.6°60.0°
C22S59C29H29A149.3°60.0°
C22S59C29H29B29.4°180.0°
C42C24C25H24180.0°180.0°
C42C24C25C260.4°0.0°
C24C42C41C39179.3°180.0°
C24C42C41C270.1°0.0°
C42C24C25H25179.6°180.0°
C24C25C26H25180.0°180.0°
C24C25C26C270.0°0.0°
C25C24C42C410.4°0.0°
C24C25C26H26180.0°179.9°
C25C26C27H26180.0°179.9°
C25C26C27C410.3°0.0°
C26C25C24H24179.6°180.0°
C25C26C27H27179.7°180.0°
C26C27C41C39179.5°180.0°
C26C27C41C420.2°0.0°
C26C27C41H27180.0°180.0°
C27C26C25H25180.0°180.0°
C1C2C3O13179.2°178.9°
C2C3C4H4179.3°179.3°
C3C2C1H1178.6°179.6°
O13C3C4H40.1°1.3°
C3O13C8H8156.7°145.4°
C3O13C8H8A85.4°91.2°
N22C11C10H10170.7°173.6°
N22C11C10H10A69.5°66.4°
C11N22C13H1371.1°65.5°
C11N22C13H13A168.0°173.9°
N22C11H11H11A119.5°120.3°
N64C30H30H30A120.6°120.0°
C30N64HN64HN6A120.0°124.0°
C39C41C42C27179.4°180.0°
C39C41C27H270.5°0.0°
S44C39C41C420.7°0.0°
S44C39C41C27180.0°180.0°
C41C42C24H24179.6°180.0°
C42C41C27H27179.8°180.0°
C41C27C26H26179.7°179.9°
S59C29H29H29A120.0°120.0°
S59C29H29H29B120.0°120.0°
S59C29H29AH29B120.0°120.0°
H4C4C5H50.1°0.3°
H10C10C11H1150.7°53.8°
H10C10C11H11A69.8°66.8°
H10AC10C11H11170.5°173.8°
H10AC10C11H11A50.0°53.3°
H13C13C14H1445.6°53.7°
H13C13C14H14A165.9°173.7°
H13AC13C14H1475.3°66.8°
H13AC13C14H14A45.0°53.2°
H24C24C25H250.4°0.0°
H26C26C25H250.0°0.1°
H26C26C27H270.2°0.1°
H30C30N64HN64142.3°60.0°
H30C30N64HN6A22.3°176.0°
H30AC30N64HN6498.3°60.0°
H30AC30N64HN6A141.7°64.0°
H29C29H29AH29B120.0°120.0°

222415

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