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O49

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CL2C12sing1.74Å1.74Å
C11C12doub1.38Å1.37ÅAromatic
C11C10sing1.38Å1.38ÅAromatic
C12C13sing1.38Å1.38ÅAromatic
C10C9doub1.39Å1.39ÅAromatic
C13C14doub1.38Å1.39ÅAromatic
C9C14sing1.39Å1.39ÅAromatic
C9O3sing1.36Å1.38Å
C16O4sing1.43Å1.42Å
C16C15sing1.53Å1.50Å
O3C8sing1.43Å1.46Å
O4C17sing1.43Å1.42Å
C15C8sing1.53Å1.54Å
C17C18sing1.53Å1.51Å
C8C18sing1.53Å1.54Å
C8C7sing1.51Å1.54Å
C5C6sing1.53Å1.52Å
C5C4sing1.53Å1.53Å
C3C4sing1.53Å1.53Å
C3N1sing1.47Å1.46Å
C7O2doub1.21Å1.23Å
C7N2sing1.35Å1.35Å
C6N2sing1.47Å1.48Å
N2C19sing1.47Å1.47Å
C4C20sing1.53Å1.53Å
N1C1sing1.35Å1.33Å
C20C19sing1.53Å1.52Å
C1O1doub1.21Å1.25Å
C1C2sing1.51Å1.52Å
C10H1sing1.08Å1.08Å
C13H2sing1.08Å1.08Å
C14H3sing1.08Å1.08Å
C15H4sing1.09Å1.10Å
C15H5sing1.09Å1.10Å
C16H6sing1.09Å1.10Å
C16H7sing1.09Å1.10Å
C17H8sing1.09Å1.10Å
C17H9sing1.09Å1.10Å
C18H10sing1.09Å1.10Å
C18H11sing1.09Å1.10Å
C20H12sing1.09Å1.10Å
C20H13sing1.09Å1.10Å
C2H14sing1.09Å1.10Å
C2H15sing1.09Å1.10Å
C2CL1sing1.80Å1.07Å
N1H17sing0.97Å1.00Å
C3H18sing1.09Å1.10Å
C3H19sing1.09Å1.10Å
C4H20sing1.09Å1.10Å
C5H21sing1.09Å1.10Å
C5H22sing1.09Å1.10Å
C6H23sing1.09Å1.10Å
C6H24sing1.09Å1.10Å
C11H25sing1.08Å1.08Å
C19H26sing1.09Å1.10Å
C19H27sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CL2C12C11118.7°120.0°
CL2C12C13119.8°120.0°
C12C11C10119.3°120.0°
C11C12C13121.5°120.1°
C12C11H25120.4°120.0°
C11C10C9120.0°120.0°
C11C10H1120.0°120.0°
C10C11H25120.3°120.0°
C12C13C14119.3°120.1°
C12C13H2120.4°120.0°
C10C9C14120.2°119.9°
C10C9O3116.0°120.1°
C9C10H1120.0°120.0°
C13C14C9119.7°119.9°
C14C13H2120.4°120.0°
C13C14H3120.1°120.1°
C14C9O3123.9°120.0°
C9C14H3120.2°120.0°
C9O3C8127.0°117.0°
O4C16C15110.3°109.4°
C16O4C17111.4°114.1°
O4C16H6109.2°109.5°
O4C16H7109.3°109.4°
C16C15C8112.4°109.2°
C16C15H4108.8°109.5°
C16C15H5108.8°109.5°
C15C16H6109.2°109.5°
C15C16H7109.3°109.5°
O3C8C15106.1°109.5°
O3C8C18109.9°109.6°
O3C8C7114.3°109.6°
O4C17C18110.4°109.4°
O4C17H8109.3°109.5°
O4C17H9109.2°109.5°
C15C8C18110.5°109.1°
C15C8C7108.5°109.5°
C8C15H4108.7°109.5°
C8C15H5108.7°109.5°
C17C18C8112.8°109.2°
C18C17H8109.2°109.5°
C18C17H9109.2°109.5°
C17C18H10108.6°109.6°
C17C18H11108.6°109.5°
C18C8C7107.5°109.6°
C8C18H10108.6°109.5°
C8C18H11108.6°109.5°
C8C7O2118.0°120.0°
C8C7N2123.4°120.0°
C6C5C4114.1°109.3°
C5C6N2112.4°108.8°
C6C5H21108.3°109.5°
C6C5H22108.3°109.6°
C5C6H23108.7°109.6°
C5C6H24108.7°109.6°
C5C4C3110.2°109.5°
C5C4C20110.2°109.6°
C5C4H20108.4°109.4°
C4C5H21108.3°109.5°
C4C5H22108.3°109.5°
C4C3N1114.4°109.5°
C3C4C20111.2°109.5°
C4C3H18108.2°109.5°
C4C3H19108.2°109.5°
C3C4H20108.4°109.4°
C3N1C1123.3°120.0°
C3N1H17118.3°120.0°
N1C3H18108.2°109.5°
N1C3H19108.2°109.4°
O2C7N2118.7°120.0°
C7N2C6129.3°120.6°
C7N2C19120.6°120.6°
C6N2C19110.1°118.8°
N2C6H23108.8°109.6°
N2C6H24108.8°109.6°
N2C19C20109.2°108.8°
N2C19H26109.5°109.6°
N2C19H27109.5°109.6°
C4C20C19111.2°109.4°
C4C20H12109.0°109.5°
C4C20H13109.0°109.6°
C20C4H20108.4°109.5°
N1C1O1123.1°120.0°
N1C1C2118.0°120.0°
C1N1H17118.4°120.0°
C19C20H12109.0°109.5°
C19C20H13109.0°109.5°
C20C19H26109.5°109.6°
C20C19H27109.5°109.6°
O1C1C2118.9°120.0°
C1C2H14109.5°109.5°
C1C2H15109.5°109.5°
C1C2CL1109.2°109.5°
H4C15H5109.5°109.5°
H6C16H7109.5°109.5°
H8C17H9109.5°109.5°
H10C18H11109.5°109.5°
H12C20H13109.5°109.4°
H14C2H15109.5°109.5°
H14C2CL1109.6°109.5°
H15C2CL1109.5°109.4°
H18C3H19109.4°109.5°
H21C5H22109.5°109.5°
H23C6H24109.5°109.6°
H26C19H27109.5°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CL2C12C11C13179.9°180.0°
CL2C12C11C10179.6°180.0°
CL2C12C13C14179.8°179.8°
CL2C12C13H20.1°0.3°
CL2C12C11H250.4°0.0°
C12C11C10H25180.0°179.9°
C12C11C10C90.0°0.1°
C11C12C13C140.3°0.3°
C12C11C10H1180.0°179.7°
C11C12C13H2179.7°179.7°
C10C11C12C130.5°0.0°
C11C10C9H1180.0°179.6°
C11C10C9C140.7°0.3°
C11C10C9O3179.9°179.7°
C12C13C14H2180.0°179.5°
C12C13C14C90.4°0.5°
C12C13C14H3179.6°179.5°
C13C12C11H25179.5°180.0°
C10C9C14C130.9°0.5°
C10C9C14O3179.1°180.0°
C10C9O3C8160.2°175.5°
C10C9C14H3179.1°179.4°
C9C10C11H25180.0°180.0°
C13C14C9H3180.0°180.0°
C13C14C9O3180.0°179.5°
C14C9O3C820.7°4.6°
C14C9C10H1179.3°179.9°
C9C14C13H2179.6°179.9°
C9O3C8C1583.2°179.9°
C9O3C8C18157.3°60.5°
C9O3C8C736.3°59.7°
O3C9C10H10.1°0.1°
O3C9C14H30.0°0.5°
O4C16C15H6120.1°120.0°
O4C16C15H7120.2°119.9°
O4C16C15C854.9°57.6°
C16O4C17C1863.9°61.1°
O4C16C15H4175.3°177.5°
O4C16C15H565.6°62.4°
O4C16H6H7119.6°119.9°
C16O4C17H8175.9°58.8°
C16O4C17H956.2°178.9°
C16C15C8O374.3°62.9°
C15C16O4C1764.8°61.1°
C16C15C8H4120.4°119.9°
C16C15C8H5120.5°119.9°
C16C15C8C1844.8°57.0°
C16C15C8C7162.4°176.9°
C16C15H4H5118.7°120.1°
C15C16H6H7119.6°120.1°
O3C8C15C18119.1°119.9°
O3C8C15C7123.3°120.2°
O3C8C18C1772.5°62.9°
O3C8C18C7125.0°120.2°
O3C8C7O2125.2°131.3°
O3C8C7N253.0°48.7°
O3C8C15H446.1°57.0°
O3C8C15H5165.2°177.1°
O3C8C18H10166.9°177.2°
O3C8C18H1148.0°57.0°
O4C17C18H8120.2°120.0°
O4C17C18H9120.1°120.0°
O4C17C18C853.5°57.6°
C17O4C16H655.3°178.8°
C17O4C16H7175.1°58.9°
O4C17H8H9119.6°120.0°
O4C17C18H1067.0°62.3°
O4C17C18H11174.0°177.5°
C15C8C18C1744.3°57.0°
C15C8C18C7118.2°119.9°
C15C8C7O27.0°108.6°
C15C8C7N2171.2°71.4°
C8C15H4H5118.7°120.2°
C8C15C16H665.2°177.5°
C8C15C16H7175.0°62.4°
C15C8C18H1076.3°63.0°
C15C8C18H11164.8°176.9°
C17C18C8H10120.5°119.9°
C17C18C8H11120.5°119.9°
C17C18C8C7162.5°176.9°
C18C17H8H9119.6°120.0°
C17C18H10H11118.5°120.2°
C18C8C7O2112.5°11.0°
C18C8C7N269.3°169.0°
C18C8C15H4165.3°176.9°
C18C8C15H575.6°63.0°
C8C18C17H8173.7°62.4°
C8C18C17H966.6°177.6°
C8C18H10H11118.4°120.1°
C8C7O2N2178.3°180.0°
C8C7N2C610.0°176.8°
C8C7N2C19169.0°3.2°
C7C8C15H477.2°63.2°
C7C8C15H541.9°56.9°
C7C8C18H1042.0°56.9°
C7C8C18H1177.0°63.2°
C6C5C4H21120.7°119.9°
C6C5C4H22120.7°120.0°
C6C5C4C3168.5°178.6°
C5C6N2C7122.1°126.4°
C5C6N2H23120.4°119.8°
C5C6N2H24120.4°119.8°
C5C6N2C1956.9°53.6°
C6C5C4C2045.4°61.3°
C6C5C4H2073.0°58.7°
C6C5H21H22117.9°120.2°
C5C6H23H24118.6°120.3°
C5C4C3C20122.5°120.1°
C5C4C3H20118.4°119.9°
C5C4C3N1168.9°64.9°
C4C5C6N248.4°54.6°
C5C4C20H20118.5°120.0°
C5C4C20C1952.1°61.3°
C5C4C20H12172.4°178.7°
C5C4C20H1368.1°58.6°
C5C4C3H1848.1°175.1°
C5C4C3H1970.4°55.1°
C4C5H21H22117.9°120.0°
C4C5C6H23168.9°174.4°
C4C5C6H2472.0°65.2°
C4C3N1H18120.7°120.0°
C4C3N1H19120.7°120.0°
C3C4C20H20119.1°119.9°
C4C3N1C198.4°180.0°
C3C4C20C19174.6°178.6°
C3C4C20H1265.2°58.7°
C3C4C20H1354.3°61.4°
C4C3N1H1781.6°0.0°
C4C3H18H19117.7°120.1°
C3C4C5H2170.8°61.4°
C3C4C5H2247.8°58.6°
N1C3C4C2068.6°175.0°
C3N1C1H17180.0°180.0°
C3N1C1O11.8°0.0°
C3N1C1C2179.5°180.0°
N1C3H18H19117.7°120.0°
N1C3C4H2050.4°55.0°
O2C7N2C6171.8°3.2°
O2C7N2C199.3°176.7°
C7N2C6C19179.0°180.0°
C7N2C19C20115.4°126.5°
C7N2C6H231.7°6.6°
C7N2C6H24117.5°113.8°
C7N2C19H264.5°113.8°
C7N2C19H27124.6°6.6°
C6N2C19C2063.7°53.5°
N2C6C5H21169.1°65.3°
N2C6C5H2272.2°174.6°
N2C6H23H24118.7°120.4°
C6N2C19H26176.3°66.2°
C6N2C19H2756.3°173.4°
N2C19C20C462.1°54.6°
N2C19C20H26120.0°119.7°
N2C19C20H27119.9°119.9°
N2C19C20H12177.6°174.6°
N2C19C20H1358.1°65.4°
C19N2C6H23177.4°173.4°
C19N2C6H2463.5°66.2°
N2C19H26H27120.1°120.4°
C4C20C19H12120.2°120.0°
C4C20C19H13120.3°120.0°
C4C20H12H13119.2°120.1°
C20C4C3H18170.6°55.0°
C20C4C3H1952.1°65.0°
C20C4C5H21166.1°58.6°
C20C4C5H2275.2°178.6°
C4C20C19H26177.9°65.1°
C4C20C19H2757.8°174.4°
N1C1O1C2178.7°180.0°
N1C1C2H14121.8°60.0°
N1C1C2H151.7°60.0°
N1C1C2CL1118.2°180.0°
C1N1C3H1822.3°60.0°
C1N1C3H19140.8°60.0°
C19C20H12H13119.2°120.0°
C19C20C4H2066.3°58.7°
C20C19H26H27120.1°120.4°
O1C1C2H1459.5°120.0°
O1C1C2H15179.6°120.0°
O1C1C2CL160.5°0.0°
O1C1N1H17178.2°180.0°
C1C2H14H15120.1°120.0°
C1C2H14CL1119.8°120.0°
C1C2H15CL1119.7°120.0°
C2C1N1H170.5°0.0°
H1C10C11H250.0°0.4°
H2C13C14H30.4°0.0°
H4C15C16H655.2°62.5°
H4C15C16H764.5°57.6°
H5C15C16H6174.3°57.6°
H5C15C16H754.6°177.7°
H8C17C18H1053.2°177.7°
H8C17C18H1165.8°57.5°
H9C17C18H10172.9°57.7°
H9C17C18H1153.9°62.5°
H12C20C4H2053.9°61.3°
H12C20C19H2657.7°54.8°
H12C20C19H2762.4°65.6°
H13C20C4H20173.4°178.7°
H13C20C19H2661.8°174.8°
H13C20C19H27178.1°54.4°
H14C2H15CL1120.1°120.0°
H17N1C3H18157.7°120.0°
H17N1C3H1939.2°120.0°
H18C3C4H2070.3°65.0°
H19C3C4H20171.2°175.0°
H20C4C5H2147.6°178.6°
H20C4C5H22166.3°61.3°
H21C5C6H2370.5°54.5°
H21C5C6H2448.7°174.9°
H22C5C6H2348.2°65.6°
H22C5C6H24167.3°54.8°

226262

PDB entries from 2024-10-16

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