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8KK

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C17C18doub1.38Å1.39ÅAromatic
C17C16sing1.38Å1.38ÅAromatic
C18C13sing1.38Å1.41ÅAromatic
C16C15doub1.38Å1.37ÅAromatic
C13C12sing1.51Å1.53Å
C13C14doub1.38Å1.38ÅAromatic
C12O04sing1.45Å1.40Å
C15C14sing1.38Å1.37ÅAromatic
O04C11sing1.35Å1.38Å
O05C11doub1.22Å1.17Å
C11N04sing1.35Å1.39Å
N04C10sing1.46Å1.45Å
C10P01sing1.82Å1.83Å
O03P01doub1.48Å1.52Å
O01P01sing1.61Å1.52Å
P01N01sing1.68Å1.68Å
N01C01sing1.47Å1.47Å
C07N02sing1.47Å1.45Å
C07C08sing1.53Å1.53Å
N02C06sing1.35Å1.39Å
C06O02doub1.21Å1.20Å
C06C01sing1.51Å1.52Å
C01C02sing1.53Å1.55Å
C08C09sing1.53Å1.51Å
C02C03sing1.53Å1.52Å
C09N03sing1.47Å1.47Å
C05C03sing1.53Å1.52Å
C03C04sing1.53Å1.53Å
C10H1sing1.09Å1.10Å
C10H2sing1.09Å1.10Å
C12H3sing1.09Å1.10Å
C12H4sing1.09Å1.10Å
C14H5sing1.08Å1.08Å
C15H6sing1.08Å1.08Å
C16H7sing1.08Å1.08Å
O01H8sing0.97Å0.95Å
N01H9sing1.01Å1.00Å
C01H10sing1.09Å1.10Å
C02H11sing1.09Å1.10Å
C02H12sing1.09Å1.10Å
C03H13sing1.09Å1.10Å
C04H14sing1.09Å1.10Å
C04H15sing1.09Å1.10Å
C04H16sing1.09Å1.10Å
C05H17sing1.09Å1.10Å
C05H18sing1.09Å1.10Å
C05H19sing1.09Å1.10Å
N02H20sing0.97Å1.00Å
C07H21sing1.09Å1.10Å
C07H22sing1.09Å1.10Å
C08H23sing1.09Å1.10Å
C08H24sing1.09Å1.10Å
C09H25sing1.09Å1.10Å
C09H26sing1.09Å1.10Å
N03H27sing1.01Å1.00Å
N03H28sing1.01Å1.00Å
N04H30sing0.97Å1.00Å
C17H31sing1.08Å1.08Å
C18H32sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C18C17C16120.3°120.0°
C17C18C13120.8°120.0°
C18C17H31119.8°120.0°
C17C18H32119.6°120.0°
C17C16C15119.0°120.0°
C17C16H7120.5°120.0°
C16C17H31119.9°120.0°
C18C13C12123.7°119.9°
C18C13C14117.3°120.0°
C13C18H32119.6°120.1°
C16C15C14121.3°120.0°
C16C15H6119.4°120.0°
C15C16H7120.6°120.0°
C12C13C14119.0°120.0°
C13C12O04111.0°109.5°
C13C12H3109.1°109.5°
C13C12H4109.1°109.5°
C13C14C15121.3°120.0°
C13C14H5119.4°120.0°
C12O04C11118.0°117.0°
O04C12H3109.1°109.5°
O04C12H4109.1°109.4°
C15C14H5119.3°120.0°
C14C15H6119.3°120.0°
O04C11O05128.1°119.9°
O04C11N04109.5°120.0°
O05C11N04122.4°120.0°
C11N04C10125.9°120.0°
C11N04H30117.0°120.0°
N04C10P01110.4°109.5°
N04C10H1109.3°109.5°
N04C10H2109.3°109.5°
C10N04H30117.1°120.0°
C10P01O03110.2°109.5°
C10P01O01109.5°109.5°
C10P01N01104.3°109.5°
P01C10H1109.2°109.4°
P01C10H2109.2°109.5°
O03P01O01111.4°109.5°
O03P01N01107.3°109.5°
O01P01N01113.9°109.5°
P01O01H8109.5°114.0°
P01N01C01119.7°111.0°
P01N01H9106.9°111.0°
N01C01C06111.9°109.5°
N01C01C02107.5°109.5°
C01N01H9106.9°111.0°
N01C01H10110.2°109.5°
N02C07C08110.0°109.5°
C07N02C06121.3°120.0°
C07N02H20119.4°119.9°
N02C07H21109.3°109.4°
N02C07H22109.3°109.5°
C07C08C09118.4°109.5°
C08C07H21109.3°109.5°
C08C07H22109.3°109.5°
C07C08H23107.2°109.4°
C07C08H24107.2°109.4°
N02C06O02121.0°120.0°
N02C06C01115.1°120.0°
C06N02H20119.3°120.0°
O02C06C01123.8°120.0°
C06C01C02108.7°109.4°
C06C01H10109.4°109.5°
C01C02C03114.0°109.5°
C02C01H10109.1°109.5°
C01C02H11108.3°109.5°
C01C02H12108.3°109.5°
C08C09N03108.9°109.5°
C09C08H23107.2°109.5°
C09C08H24107.2°109.5°
C08C09H25109.6°109.5°
C08C09H26109.6°109.4°
C02C03C05110.6°109.5°
C02C03C04111.8°109.5°
C03C02H11108.3°109.5°
C03C02H12108.3°109.5°
C02C03H13108.2°109.5°
N03C09H25109.6°109.5°
N03C09H26109.6°109.4°
C09N03H27109.5°111.0°
C09N03H28109.4°111.0°
C05C03C04109.9°109.5°
C05C03H13108.1°109.4°
C03C05H17109.5°109.4°
C03C05H18109.5°109.5°
C03C05H19109.5°109.5°
C04C03H13108.1°109.5°
C03C04H14109.5°109.5°
C03C04H15109.4°109.5°
C03C04H16109.5°109.5°
H1C10H2109.5°109.5°
H3C12H4109.5°109.5°
H11C02H12109.5°109.5°
H14C04H15109.5°109.4°
H14C04H16109.5°109.4°
H15C04H16109.5°109.5°
H17C05H18109.4°109.4°
H17C05H19109.5°109.5°
H18C05H19109.5°109.5°
H21C07H22109.5°109.4°
H23C08H24109.5°109.5°
H25C09H26109.5°109.5°
H27N03H28109.4°111.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C18C17C16H31180.0°179.4°
C17C18C13H32180.0°179.4°
C18C17C16C152.5°0.3°
C17C18C13C12179.6°179.7°
C17C18C13C141.6°0.6°
C18C17C16H7177.5°179.7°
C16C17C18C130.4°0.6°
C17C16C15H7180.0°180.0°
C17C16C15C142.6°0.0°
C17C16C15H6177.4°180.0°
C16C17C18H32179.5°179.9°
C18C13C12C14178.0°179.7°
C18C13C12O04116.8°90.3°
C18C13C14C151.5°0.3°
C18C13C12H3123.0°29.7°
C18C13C12H43.5°149.7°
C18C13C14H5178.5°179.7°
C13C18C17H31179.6°180.0°
C16C15C14C130.5°0.0°
C16C15C14H6180.0°180.0°
C16C15C14H5179.5°179.9°
C15C16C17H31177.5°179.7°
C13C12O04H3120.2°120.1°
C13C12O04H4120.2°120.0°
C12C13C14C15179.6°180.0°
C13C12O04C11110.0°180.0°
C13C12H3H4119.2°120.0°
C12C13C14H50.3°0.1°
C12C13C18H320.4°0.3°
C14C13C12O0461.2°90.0°
C13C14C15H5180.0°179.9°
C14C13C12H359.0°150.0°
C14C13C12H4178.5°29.9°
C13C14C15H6179.5°180.0°
C14C13C18H32178.5°179.9°
C12O04C11O057.3°0.0°
C12O04C11N04172.9°180.0°
O04C12H3H4119.3°120.0°
C14C15C16H7177.4°180.0°
O04C11O05N04179.7°180.0°
O04C11N04C10176.8°180.0°
C11O04C12H310.2°60.0°
C11O04C12H4129.8°60.0°
O04C11N04H303.2°0.0°
O05C11N04C103.0°0.0°
O05C11N04H30177.1°180.0°
C11N04C10H30180.0°179.9°
C11N04C10P01149.1°95.0°
C11N04C10H190.8°24.9°
C11N04C10H228.9°145.0°
N04C10P01H1120.2°120.0°
N04C10P01H2120.2°120.0°
N04C10P01O0383.8°60.0°
N04C10P01O0139.0°60.0°
N04C10P01N01161.3°180.0°
N04C10H1H2119.6°120.0°
C10P01O03O01121.7°120.0°
C10P01O03N01113.0°120.0°
C10P01O01N01116.4°120.0°
C10P01N01C01145.4°175.4°
P01C10H1H2119.6°120.0°
C10P01O01H8122.1°54.9°
C10P01N01H993.1°51.4°
P01C10N04H3030.9°85.1°
O03P01O01N01121.5°120.0°
O03P01N01C0128.5°64.6°
O03P01C10H1156.0°60.0°
O03P01C10H236.3°180.0°
O03P01O01H80.0°175.0°
O03P01N01H9150.0°171.5°
O01P01N01C0195.2°55.4°
O01P01C10H181.1°180.0°
O01P01C10H2159.2°60.0°
O01P01N01H926.2°68.6°
P01N01C01H9121.5°124.0°
P01N01C01C0688.9°96.2°
P01N01C01C02151.8°143.9°
N01P01C10H141.1°60.0°
N01P01C10H278.6°60.0°
N01P01O01H8121.6°65.1°
P01N01C01H1033.0°23.9°
N01C01C06N0234.4°180.0°
N01C01C06O02149.1°0.1°
N01C01C06C02118.6°120.0°
N01C01C06H10122.4°120.0°
N01C01C02H10119.5°120.0°
N01C01C02C03178.5°65.2°
N01C01C02H1157.8°54.8°
N01C01C02H1260.8°174.8°
N02C07C08H21120.1°120.0°
N02C07C08H22120.1°120.0°
C07N02C06H20180.0°180.0°
C07N02C06O020.7°0.1°
C07N02C06C01175.9°179.9°
N02C07C08C0951.2°180.0°
N02C07H21H22119.8°120.0°
N02C07C08H2370.1°60.0°
N02C07C08H24172.5°59.9°
C08C07N02C06137.8°180.0°
C07C08C09H23121.3°120.0°
C07C08C09H24121.3°120.0°
C07C08C09N03178.8°180.0°
C08C07N02H2042.2°0.0°
C08C07H21H22119.8°120.0°
C07C08H23H24115.9°119.9°
C07C08C09H2558.9°60.0°
C07C08C09H2661.3°60.0°
N02C06O02C01176.3°179.9°
N02C06C01C0284.2°60.1°
N02C06C01H10156.8°59.9°
C06N02C07H21102.1°59.9°
C06N02C07H2217.7°60.0°
O02C06C01C0292.3°120.0°
O02C06C01H1026.7°119.9°
O02C06N02H20179.3°179.9°
C06C01C02H10119.2°120.0°
C06C01C02C0360.2°174.8°
C06C01N01H9149.6°139.8°
C06C01C02H11179.2°65.2°
C06C01C02H1260.5°54.8°
C01C06N02H204.1°0.1°
C01C02C03H11120.7°120.0°
C01C02C03H12120.7°120.0°
C01C02C03C0569.4°66.1°
C01C02C03C04167.7°173.9°
C02C01N01H930.3°19.9°
C01C02H11H12117.9°120.0°
C01C02C03H1348.8°53.9°
C08C09N03H25119.9°120.0°
C08C09N03H26119.9°119.9°
C09C08C07H21171.3°60.0°
C09C08C07H2268.9°60.0°
C09C08H23H24116.0°120.1°
C08C09H25H26120.3°120.0°
C08C09N03H27180.0°56.0°
C08C09N03H2860.0°180.0°
C02C03C05C04123.9°120.0°
C02C03C05H13118.3°120.0°
C02C03C04H13118.9°120.0°
C03C02C01H1059.0°54.8°
C03C02H11H12117.9°120.0°
C02C03C04H14180.0°60.0°
C02C03C04H1560.0°180.0°
C02C03C04H1660.0°60.0°
C02C03C05H17180.0°60.0°
C02C03C05H1860.0°60.0°
C02C03C05H1960.0°180.0°
N03C09C08H2359.9°60.0°
N03C09C08H2457.5°60.0°
N03C09H25H26120.3°120.0°
C09N03H27H28120.0°124.0°
C05C03C04H13117.8°120.0°
C05C03C02H1151.2°174.0°
C05C03C02H12169.9°53.9°
C05C03C04H1456.7°60.0°
C05C03C04H1563.3°59.9°
C05C03C04H16176.7°180.0°
C03C05H17H18120.0°120.0°
C03C05H17H19120.1°120.0°
C03C05H18H19120.0°120.1°
C04C03C02H1171.6°53.9°
C04C03C02H1247.0°66.1°
C03C04H14H15120.0°120.0°
C03C04H14H16120.0°120.1°
C03C04H15H16120.0°120.1°
C04C03C05H1756.1°60.0°
C04C03C05H18176.0°180.0°
C04C03C05H1964.0°59.9°
H1C10N04H3089.2°155.0°
H2C10N04H30151.0°35.0°
H5C14C15H60.5°0.0°
H6C15C16H72.6°0.0°
H7C16C17H312.5°0.4°
H9N01C01H1088.4°100.1°
H10C01C02H1161.6°174.8°
H10C01C02H12179.7°65.2°
H11C02C03H13169.5°66.1°
H12C02C03H1371.9°173.9°
H13C03C04H1461.1°180.0°
H13C03C04H15178.9°60.0°
H13C03C04H1658.9°60.0°
H13C03C05H1761.7°179.9°
H13C03C05H1858.3°60.0°
H13C03C05H19178.2°60.1°
H14C04H15H16120.0°119.9°
H17C05H18H19120.0°120.0°
H20N02C07H2177.9°120.1°
H20N02C07H22162.3°120.0°
H21C07C08H2350.0°180.0°
H21C07C08H2467.5°60.1°
H22C07C08H23169.8°60.0°
H22C07C08H2452.4°180.0°
H23C08C09H25179.8°180.0°
H23C08C09H2660.0°59.9°
H24C08C09H2562.4°60.0°
H24C08C09H26177.4°180.0°
H25C09N03H2760.1°64.0°
H25C09N03H28179.9°60.0°
H26C09N03H2760.1°176.0°
H26C09N03H2859.9°60.1°
H31C17C18H320.5°0.6°

223166

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