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50D

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C30C29sing1.54Å1.57Å
C30O31sing1.44Å1.44Å
C25C24sing1.53Å1.53Å
C25N26sing1.47Å1.48Å
C29N26sing1.47Å1.48Å
C29C32sing1.54Å1.58Å
O31C32sing1.44Å1.42Å
C24C23sing1.53Å1.53Å
N26C27sing1.47Å1.48Å
C23C12sing1.51Å1.51Å
C23C28sing1.53Å1.53Å
C18C17sing1.54Å1.53Å
C18C19sing1.54Å1.55Å
C27C28sing1.53Å1.53Å
C17N16sing1.49Å1.47Å
C13C12doub1.39Å1.39ÅAromatic
C13C14sing1.39Å1.40ÅAromatic
C12C11sing1.39Å1.39ÅAromatic
N16C14sing1.39Å1.39Å
N16C20sing1.49Å1.48Å
C14N15doub1.32Å1.34ÅAromatic
C11C10doub1.39Å1.39ÅAromatic
F22C19sing1.40Å1.37Å
C20C19sing1.54Å1.55Å
C19F21sing1.40Å1.37Å
N15C10sing1.33Å1.34ÅAromatic
C10N9sing1.39Å1.39Å
N9C4sing1.39Å1.39Å
C4N3doub1.32Å1.35ÅAromatic
C4C5sing1.39Å1.41ÅAromatic
N3C2sing1.32Å1.34ÅAromatic
C5C6doub1.40Å1.39ÅAromatic
C2C1doub1.38Å1.38ÅAromatic
C6C1sing1.40Å1.39ÅAromatic
C6C7sing1.43Å1.44Å
C7N8trip1.14Å1.14Å
C5H1sing1.08Å1.08Å
C11H2sing1.08Å1.08Å
C13H3sing1.08Å1.08Å
C1H4sing1.08Å1.08Å
C2H5sing1.08Å1.08Å
N9H6sing0.97Å1.00Å
C17H7sing1.09Å1.10Å
C17H8sing1.09Å1.10Å
C18H9sing1.09Å1.10Å
C18H10sing1.09Å1.10Å
C20H11sing1.09Å1.10Å
C20H12sing1.09Å1.10Å
C23H13sing1.09Å1.10Å
C24H14sing1.09Å1.10Å
C24H15sing1.09Å1.10Å
C25H16sing1.09Å1.10Å
C25H17sing1.09Å1.10Å
C27H19sing1.09Å1.10Å
C27H20sing1.09Å1.10Å
C28H21sing1.09Å1.10Å
C28H22sing1.09Å1.10Å
C29H23sing1.09Å1.10Å
C30H24sing1.09Å1.10Å
C30H25sing1.09Å1.10Å
C32H26sing1.09Å1.10Å
C32H27sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C29C30O3187.4°85.5°
C30C29N26114.1°113.8°
C30C29C3281.1°85.8°
C30C29H23113.3°114.0°
C29C30H24114.7°113.8°
C29C30H25114.7°113.9°
C30O31C3291.7°93.3°
O31C30H24114.7°113.9°
O31C30H25114.7°113.8°
C24C25N26111.8°109.5°
C25C24C23111.1°109.3°
C25C24H14109.1°109.5°
C25C24H15109.0°109.6°
C24C25H16108.9°109.5°
C24C25H17108.9°109.4°
C25N26C29111.4°111.0°
C25N26C27111.0°111.2°
N26C25H16108.9°109.5°
N26C25H17108.9°109.5°
N26C29C32116.3°113.8°
C29N26C27112.4°111.0°
N26C29H23114.8°113.0°
C29C32O3187.5°85.5°
C32C29H23113.0°113.8°
C29C32H26114.7°113.9°
C29C32H27114.6°113.8°
O31C32H26114.7°113.9°
O31C32H27114.7°113.9°
C24C23C12113.8°109.5°
C24C23C28109.2°109.1°
C24C23H13106.2°109.6°
C23C24H14109.1°109.5°
C23C24H15109.1°109.5°
N26C27C28112.2°109.5°
N26C27H19108.8°109.5°
N26C27H20108.8°109.5°
C12C23C28114.3°109.5°
C23C12C13121.3°120.7°
C23C12C11119.8°120.7°
C12C23H13106.5°109.5°
C23C28C27110.9°109.3°
C28C23H13106.3°109.5°
C23C28H21109.1°109.5°
C23C28H22109.1°109.5°
C17C18C19101.6°105.0°
C18C17N16107.0°104.6°
C18C17H7110.1°110.4°
C18C17H8110.1°110.5°
C17C18H9111.4°110.3°
C17C18H10111.4°110.3°
C18C19F22116.5°110.3°
C18C19C20105.7°105.1°
C18C19F21110.1°110.3°
C19C18H9111.4°110.3°
C19C18H10111.4°110.3°
C28C27H19108.8°109.5°
C28C27H20108.8°109.5°
C27C28H21109.1°109.5°
C27C28H22109.1°109.5°
C17N16C14127.1°111.0°
C17N16C20111.1°104.3°
N16C17H7110.1°110.4°
N16C17H8110.1°110.4°
C12C13C14119.2°119.2°
C13C12C11118.8°118.6°
C12C13H3120.4°120.4°
C13C14N16122.3°119.7°
C13C14N15121.2°120.7°
C14C13H3120.4°120.4°
C12C11C10118.9°119.3°
C12C11H2120.6°120.3°
C14N16C20121.8°111.1°
N16C14N15116.4°119.6°
N16C20C19103.4°104.6°
N16C20H11111.0°110.4°
N16C20H12111.0°110.4°
C14N15C10119.7°121.5°
C11C10N15122.2°120.7°
C11C10N9118.6°119.7°
C10C11H2120.5°120.4°
F22C19C20110.2°110.4°
F22C19F21103.4°110.3°
C20C19F21111.0°110.3°
C19C20H11111.0°110.4°
C19C20H12111.0°110.4°
N15C10N9119.2°119.6°
C10N9C4132.8°120.0°
C10N9H6113.6°120.0°
N9C4N3113.9°119.7°
N9C4C5123.0°119.6°
C4N9H6113.6°120.0°
N3C4C5123.1°120.7°
C4N3C2117.4°121.9°
C4C5C6117.6°118.9°
C4C5H1121.2°120.5°
N3C2C1123.7°121.0°
N3C2H5118.1°119.5°
C5C6C1119.8°118.3°
C5C6C7119.8°120.9°
C6C5H1121.2°120.6°
C2C1C6118.4°119.1°
C2C1H4120.8°120.4°
C1C2H5118.2°119.5°
C1C6C7120.4°120.9°
C6C1H4120.8°120.4°
C6C7N8178.4°179.9°
H7C17H8109.4°110.4°
H9C18H10109.4°110.4°
H11C20H12109.4°110.5°
H14C24H15109.4°109.5°
H16C25H17109.5°109.4°
H19C27H20109.4°109.4°
H21C28H22109.5°109.5°
H24C30H25109.4°113.1°
H26C32H27109.5°113.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C29C30O31H24116.1°114.1°
C29C30O31H25116.1°114.2°
C30C29N26C2588.5°83.9°
C30C29N26C3291.8°96.1°
C30C29N26H23133.1°132.0°
C30C29C32H23111.6°114.4°
C29C30O31C3227.6°24.2°
C30C29N26C27146.2°151.9°
C29C30H24H25130.5°132.1°
C30C29C32H26141.3°91.6°
C30C29C32H2790.8°136.8°
O31C30C29N2690.1°136.8°
O31C30C29H23136.1°91.6°
O31C30H24H25130.5°132.1°
C30O31C32H26143.4°90.0°
C30O31C32H2788.7°138.3°
C24C25N26H16120.4°120.0°
C24C25N26H17120.3°120.0°
C24C25N26C29177.0°174.1°
C25C24C23H14120.3°119.9°
C25C24C23H15120.2°120.0°
C24C25N26C2756.9°61.8°
C25C24C23C12176.1°177.6°
C25C24C23C2854.9°57.7°
C25C24C23H1359.3°62.3°
C25C24H14H15119.2°120.2°
C24C25H16H17119.0°119.9°
C25N26C29C27125.3°124.2°
C25N26C29C32179.8°180.0°
N26C25C24C2356.9°59.2°
C25N26C27C2856.7°61.7°
N26C25C24H1463.4°179.1°
N26C25C24H15177.1°60.8°
N26C25H16H17118.9°120.0°
C25N26C27H1963.8°58.3°
C25N26C27H20177.1°178.2°
C25N26C29H2344.7°48.2°
N26C29C32H23135.9°131.4°
N26C29C32O3187.3°136.8°
C29N26C27C28177.8°174.2°
C29N26C25H1662.7°65.8°
C29N26C25H1756.6°54.1°
C29N26C27H1961.7°65.8°
C29N26C27H2057.4°54.2°
N26C29C30H24153.9°109.1°
N26C29C30H2526.0°22.6°
N26C29C32H2628.7°22.6°
N26C29C32H27156.6°109.0°
C29C32O31H26116.1°114.2°
C29C32O31H27116.0°114.1°
C32C29N26C2754.5°55.8°
C32C29C30H2491.2°136.7°
C32C29C30H25140.9°91.5°
C29C32H26H27130.5°132.0°
O31C32C29H23136.8°91.8°
C32O31C30H2488.4°138.3°
C32O31C30H25143.7°90.0°
O31C32H26H27130.5°132.1°
C24C23C12C28126.4°119.7°
C24C23C12H13116.7°120.2°
C24C23C28H13114.2°120.0°
C24C23C28C2754.3°57.7°
C24C23C12C1354.8°120.3°
C24C23C12C11120.3°59.6°
C23C24H14H15119.3°120.1°
C23C24C25H1663.5°60.8°
C23C24C25H17177.2°179.2°
C24C23C28H2165.9°62.3°
C24C23C28H22174.5°177.6°
N26C27C28C2356.1°59.2°
N26C27C28H19120.4°120.0°
N26C27C28H20120.4°120.0°
C27N26C25H1663.4°58.3°
C27N26C25H17177.3°178.2°
N26C27H19H20118.7°120.0°
N26C27C28H2164.1°60.8°
N26C27C28H22176.3°179.1°
C27N26C29H2380.6°76.0°
C12C23C28H13117.1°120.2°
C12C23C28C27177.0°177.5°
C23C12C13C11175.1°180.0°
C23C12C13C14173.2°179.9°
C23C12C11C10174.6°180.0°
C23C12C11H25.4°0.0°
C23C12C13H36.8°0.0°
C12C23C24H1463.6°62.5°
C12C23C24H1555.9°57.6°
C12C23C28H2162.8°57.6°
C12C23C28H2256.8°62.5°
C23C28C27H21120.2°119.9°
C23C28C27H22120.2°120.0°
C28C23C12C1371.6°120.0°
C28C23C12C11113.4°60.0°
C28C23C24H1465.4°177.6°
C28C23C24H15175.1°62.3°
C23C28C27H1964.4°60.8°
C23C28C27H20176.5°179.2°
C23C28H21H22119.4°120.1°
C17C18C19H9118.7°118.9°
C17C18C19H10118.7°118.9°
C18C17N16H7119.6°118.7°
C18C17N16H8119.7°118.9°
C18C17N16C14171.7°159.1°
C18C17N16C2012.5°39.4°
C17C18C19F22156.5°119.0°
C17C18C19C2033.7°0.0°
C17C18C19F2186.3°118.9°
C18C17H7H8121.1°122.4°
C17C18H9H10123.7°122.2°
C19C18C17N1628.2°23.8°
C18C19C20N1626.7°23.8°
C18C19F22C20120.4°115.7°
C18C19F22F21120.9°122.2°
C18C19C20F21119.3°118.9°
C19C18C17H7147.8°94.9°
C19C18C17H891.4°142.7°
C19C18H9H10123.7°122.2°
C18C19C20H1192.3°142.6°
C18C19C20H12145.8°94.9°
C27C28C23H1359.9°62.3°
C28C27H19H20118.7°120.0°
C27C28H21H22119.3°120.1°
C17N16C14C130.4°64.3°
C17N16C14C20175.3°115.5°
C17N16C14N15178.7°115.5°
C17N16C20C198.9°39.5°
N16C17H7H8121.1°122.4°
N16C17C18H9146.9°142.7°
N16C17C18H1090.5°95.1°
C17N16C20H11110.1°158.3°
C17N16C20H12128.0°79.3°
C12C13C14H3180.0°179.9°
C12C13C14N16176.3°179.7°
C12C13C14N151.9°0.0°
C13C12C11C100.6°0.0°
C13C12C11H2179.4°180.0°
C13C12C23H13171.5°0.1°
C14C13C12C111.9°0.0°
C13C14N16N15178.3°179.7°
C13C14N16C20175.7°179.8°
C13C14N15C100.4°0.0°
C12C11C10H2180.0°180.0°
C12C11C10N150.9°0.1°
C12C11C10N9179.9°180.0°
C11C12C13H3178.1°180.0°
C11C12C23H133.6°179.8°
C14N16C20C19167.1°159.1°
N16C14N15C10177.9°179.7°
N16C14C13H33.7°0.3°
C14N16C17H752.1°40.4°
C14N16C17H868.6°82.0°
C14N16C20H1173.9°82.1°
C14N16C20H1248.0°40.3°
C20N16C14N156.0°0.0°
N16C20C19F22153.4°95.1°
N16C20C19H11119.0°118.8°
N16C20C19H12119.0°118.7°
N16C20C19F2192.6°142.7°
C20N16C17H7132.2°79.3°
C20N16C17H8107.1°158.3°
N16C20H11H12122.8°122.4°
C14N15C10C111.0°0.0°
C14N15C10N9180.0°180.0°
N15C14C13H3178.1°180.0°
C11C10N15N9179.0°179.9°
C11C10N9C4176.5°174.6°
C11C10N9H63.5°5.3°
F22C19C20F21113.9°122.2°
F22C19C18H984.8°122.1°
F22C19C18H1037.7°0.1°
F22C19C20H1134.4°23.7°
F22C19C20H1287.5°146.2°
C20C19C18H9152.4°118.9°
C20C19C18H1085.1°118.9°
C19C20H11H12122.8°122.4°
F21C19C18H932.4°0.0°
F21C19C18H10155.0°122.3°
F21C19C20H11148.3°98.5°
F21C19C20H1226.4°24.0°
N15C10N9C44.5°5.4°
N15C10C11H2179.1°179.9°
N15C10N9H6175.5°174.6°
C10N9C4H6180.0°180.0°
C10N9C4N3173.3°5.5°
C10N9C4C56.7°174.8°
N9C10C11H20.1°0.0°
N9C4N3C5180.0°179.7°
N9C4N3C2178.9°179.7°
N9C4C5C6179.3°179.7°
N9C4C5H10.7°0.4°
N3C4C5C60.7°0.0°
C4N3C2C12.0°0.1°
N3C4C5H1179.3°180.0°
C4N3C2H5178.1°179.9°
N3C4N9H66.6°174.5°
C5C4N3C21.1°0.0°
C4C5C6H1180.0°180.0°
C4C5C6C11.7°0.0°
C4C5C6C7177.6°180.0°
C5C4N9H6173.4°5.2°
N3C2C1H5180.0°179.9°
N3C2C1C61.0°0.0°
N3C2C1H4179.0°180.0°
C5C6C1C20.9°0.0°
C5C6C1C7179.3°180.0°
C5C6C7N8168.5°89.8°
C5C6C1H4179.1°179.9°
C2C1C6H4180.0°179.9°
C2C1C6C7178.4°179.9°
C1C6C7N812.2°90.2°
C1C6C5H1178.3°180.0°
C6C1C2H5179.0°179.9°
C7C6C5H12.4°0.0°
C7C6C1H41.6°0.0°
H4C1C2H51.0°0.1°
H7C17C18H993.5°23.9°
H7C17C18H1029.1°146.2°
H8C17C18H927.3°98.4°
H8C17C18H10149.8°23.8°
H13C23C24H14179.6°57.6°
H13C23C24H1560.9°177.7°
H13C23C28H21179.9°177.8°
H13C23C28H2260.3°57.7°
H14C24C25H16176.3°59.1°
H14C24C25H1756.9°60.9°
H15C24C25H1656.8°179.2°
H15C24C25H1762.6°59.3°
H19C27C28H21175.4°179.2°
H19C27C28H2255.9°59.1°
H20C27C28H2156.3°59.3°
H20C27C28H2263.3°60.8°
H23C29C30H2420.1°22.5°
H23C29C30H25107.8°154.2°
H23C29C32H26107.1°154.0°
H23C29C32H2720.7°22.4°

222624

PDB entries from 2024-07-17

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