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85H

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CL2C21sing1.74Å1.74Å
C21C20doub1.38Å1.37ÅAromatic
C21C22sing1.38Å1.38ÅAromatic
C20C19sing1.38Å1.38ÅAromatic
C22C23doub1.38Å1.38ÅAromatic
C19C18doub1.38Å1.39ÅAromatic
C23C18sing1.38Å1.39ÅAromatic
C23CL3sing1.74Å1.74Å
CLCsing1.74Å1.74Å
C18C17sing1.51Å1.51Å
C1Cdoub1.38Å1.38ÅAromatic
C1C2sing1.38Å1.38ÅAromatic
CC5sing1.38Å1.37ÅAromatic
C2C3doub1.38Å1.39ÅAromatic
C17Osing1.43Å1.43Å
C5C4doub1.38Å1.38ÅAromatic
C3C4sing1.38Å1.39ÅAromatic
C3C6sing1.51Å1.52Å
OC16sing1.43Å1.43Å
C6C7sing1.51Å1.52Å
C6Nsing1.46Å1.51Å
C30Ndoub1.30Å1.33ÅAromatic
C30N1sing1.35Å1.32ÅAromatic
C16C15sing1.53Å1.52Å
C16C24sing1.51Å1.51Å
C7C12doub1.38Å1.39ÅAromatic
C7C8sing1.38Å1.39ÅAromatic
NC13sing1.34Å1.38ÅAromatic
C15N1sing1.46Å1.47Å
C12C11sing1.38Å1.38ÅAromatic
C25C24doub1.38Å1.39ÅAromatic
C25C26sing1.38Å1.38ÅAromatic
C8C9doub1.38Å1.38ÅAromatic
N1C14sing1.37Å1.38ÅAromatic
C24C29sing1.38Å1.39ÅAromatic
C26C27doub1.38Å1.37ÅAromatic
C11C10doub1.38Å1.37ÅAromatic
C13C14doub1.35Å1.35ÅAromatic
C9C10sing1.38Å1.38ÅAromatic
C29CL5sing1.74Å1.74Å
C29C28doub1.38Å1.38ÅAromatic
C10CL1sing1.74Å1.74Å
C27C28sing1.38Å1.38ÅAromatic
C27CL4sing1.74Å1.74Å
C8H1sing1.08Å1.08Å
C9H2sing1.08Å1.08Å
C1H3sing1.08Å1.08Å
C5H4sing1.08Å1.08Å
C6H5sing1.09Å1.10Å
C4H6sing1.08Å1.08Å
C2H7sing1.08Å1.08Å
C11H8sing1.08Å1.08Å
C12H9sing1.08Å1.08Å
C13H10sing1.08Å1.08Å
C14H11sing1.08Å1.08Å
C30H12sing1.08Å1.08Å
C15H13sing1.09Å1.10Å
C15H14sing1.09Å1.10Å
C16H15sing1.09Å1.10Å
C25H16sing1.08Å1.08Å
C26H17sing1.08Å1.08Å
C28H18sing1.08Å1.08Å
C17H19sing1.09Å1.10Å
C17H20sing1.09Å1.10Å
C19H21sing1.08Å1.08Å
C20H22sing1.08Å1.08Å
C22H23sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CL2C21C20119.4°120.0°
CL2C21C22118.9°120.0°
C20C21C22121.5°120.0°
C21C20C19119.0°120.0°
C21C20H22120.5°120.0°
C21C22C23118.5°120.0°
C21C22H23120.8°120.0°
C20C19C18121.6°120.1°
C20C19H21119.2°120.0°
C19C20H22120.5°120.0°
C22C23C18122.3°120.0°
C22C23CL3117.7°120.0°
C23C22H23120.7°120.0°
C19C18C23117.0°120.0°
C19C18C17120.5°120.0°
C18C19H21119.2°119.9°
C18C23CL3120.0°120.0°
C23C18C17122.4°120.0°
CLCC1119.5°120.0°
CLCC5119.2°120.0°
C18C17O109.1°109.5°
C18C17H19109.6°109.5°
C18C17H20109.6°109.4°
CC1C2119.1°120.0°
C1CC5121.2°120.0°
CC1H3120.4°120.1°
C1C2C3121.0°120.0°
C2C1H3120.4°119.9°
C1C2H7119.5°120.1°
CC5C4119.1°120.0°
CC5H4120.4°120.0°
C2C3C4118.4°120.0°
C2C3C6120.8°120.0°
C3C2H7119.5°119.9°
C17OC16113.5°114.0°
OC17H19109.6°109.5°
OC17H20109.6°109.5°
C5C4C3121.2°120.0°
C4C5H4120.5°120.0°
C5C4H6119.4°120.0°
C4C3C6120.7°120.0°
C3C4H6119.4°120.0°
C3C6C7114.9°109.4°
C3C6N109.4°109.5°
C3C6H5106.8°109.5°
OC16C15105.9°109.5°
OC16C24111.7°109.5°
OC16H15110.0°109.5°
C7C6N111.4°109.5°
C6C7C12119.6°120.0°
C6C7C8121.5°120.0°
C7C6H5106.9°109.5°
C6NC30121.7°125.4°
C6NC13129.6°125.4°
NC6H5107.0°109.5°
NC30N1108.7°108.7°
C30NC13108.4°109.3°
NC30H12125.6°125.6°
C30N1C15125.4°126.4°
C30N1C14108.7°107.2°
N1C30H12125.7°125.6°
C15C16C24111.4°109.5°
C16C15N1110.6°109.5°
C16C15H13109.2°109.5°
C16C15H14109.2°109.4°
C15C16H15108.8°109.4°
C16C24C25120.6°120.0°
C16C24C29122.4°120.0°
C24C16H15109.0°109.5°
C12C7C8118.4°120.0°
C7C12C11121.2°120.0°
C7C12H9119.4°120.0°
C7C8C9121.0°120.0°
C7C8H1119.5°120.0°
NC13C14107.1°108.0°
NC13H10126.5°126.0°
C15N1C14126.0°126.4°
N1C15H13109.2°109.5°
N1C15H14109.2°109.4°
C12C11C10119.0°120.0°
C12C11H8120.5°120.0°
C11C12H9119.4°120.0°
C24C25C26121.9°120.0°
C25C24C29117.0°120.0°
C24C25H16119.1°119.9°
C25C26C27118.9°120.0°
C26C25H16119.0°120.0°
C25C26H17120.5°120.0°
C8C9C10118.9°120.0°
C9C8H1119.5°120.0°
C8C9H2120.5°120.0°
N1C14C13107.1°106.8°
N1C14H11126.4°126.6°
C24C29CL5120.2°120.0°
C24C29C28122.1°120.0°
C26C27C28121.6°120.0°
C26C27CL4119.3°120.0°
C27C26H17120.5°120.0°
C11C10C9121.2°119.9°
C11C10CL1119.0°120.0°
C10C11H8120.5°120.0°
C14C13H10126.5°126.0°
C13C14H11126.5°126.6°
C9C10CL1119.4°120.0°
C10C9H2120.5°120.0°
CL5C29C28117.7°120.1°
C29C28C27118.4°120.0°
C29C28H18120.8°120.0°
C28C27CL4119.0°120.0°
C27C28H18120.8°120.0°
H13C15H14109.5°109.5°
H19C17H20109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CL2C21C20C22175.7°180.0°
CL2C21C20C19174.8°180.0°
CL2C21C22C23175.4°179.7°
CL2C21C20H225.3°0.0°
CL2C21C22H234.7°0.0°
C21C20C19H22180.0°180.0°
C20C21C22C230.3°0.4°
C21C20C19C181.0°0.0°
C21C20C19H21179.0°180.0°
C20C21C22H23179.6°180.0°
C22C21C20C190.9°0.0°
C21C22C23H23180.0°179.6°
C21C22C23C180.1°0.7°
C21C22C23CL3179.4°180.0°
C22C21C20H22179.1°180.0°
C20C19C18H21180.0°180.0°
C20C19C18C230.6°0.3°
C20C19C18C17179.0°180.0°
C22C23C18C190.0°0.6°
C22C23C18CL3179.5°179.4°
C22C23C18C17179.6°179.7°
C19C18C23C17179.6°179.7°
C19C18C23CL3179.5°180.0°
C19C18C17O85.3°0.0°
C19C18C17H19154.8°120.0°
C19C18C17H2034.7°120.0°
C18C19C20H22178.9°180.0°
C23C18C17O94.3°179.7°
C23C18C17H1925.7°59.6°
C23C18C17H20145.8°60.3°
C23C18C19H21179.4°179.7°
C18C23C22H23179.9°179.7°
CL3C23C18C170.1°0.3°
CL3C23C22H230.6°0.3°
CLCC1C5175.8°179.9°
CLCC1C2174.1°180.0°
CLCC5C4174.7°180.0°
CLCC1H35.9°0.2°
CLCC5H45.3°0.0°
C18C17OH19119.9°120.0°
C18C17OH20120.0°120.0°
C18C17OC16175.8°180.0°
C18C17H19H20120.2°120.0°
C17C18C19H211.0°0.1°
CC1C2H3180.0°179.7°
CC1C2C31.5°0.0°
C1CC5C41.1°0.1°
C1CC5H4178.9°179.9°
CC1C2H7178.6°180.0°
C2C1CC51.7°0.1°
C1C2C3H7180.0°180.0°
C1C2C3C40.6°0.0°
C1C2C3C6174.9°180.0°
CC5C4H4180.0°180.0°
CC5C4C30.2°0.1°
C5CC1H3178.3°179.7°
CC5C4H6179.8°179.9°
C2C3C4C50.0°0.0°
C2C3C4C6175.5°180.0°
C2C3C6C792.0°53.1°
C2C3C6N141.8°66.9°
C3C2C1H3178.6°179.7°
C2C3C6H526.3°173.1°
C2C3C4H6180.0°180.0°
C17OC16C15151.8°150.0°
C17OC16C2486.8°90.0°
C17OC16H1534.3°30.0°
OC17H19H20120.2°120.0°
C5C4C3H6180.0°180.0°
C5C4C3C6175.5°180.0°
C4C3C6C792.6°126.9°
C4C3C6N33.5°113.1°
C3C4C5H4179.8°180.0°
C4C3C6H5149.1°6.9°
C4C3C2H7179.4°180.0°
C3C6C7N125.1°120.0°
C3C6C7H5118.3°120.0°
C3C6NH5115.4°120.0°
C3C6NC3080.7°114.9°
C3C6C7C12160.8°34.6°
C3C6C7C826.9°145.7°
C3C6NC1392.6°65.1°
C6C3C4H64.5°0.0°
C6C3C2H75.1°0.0°
OC16C15C24121.6°120.1°
OC16C15H15118.2°120.0°
OC16C24H15121.8°120.0°
OC16C15N152.1°65.0°
OC16C24C2517.0°24.8°
OC16C24C29159.7°155.0°
OC16C15H13172.3°175.0°
OC16C15H1468.1°55.0°
C16OC17H1955.9°60.0°
C16OC17H2064.2°60.0°
C7C6NH5116.5°120.0°
C7C6NC30151.2°125.1°
C6C7C12C8172.6°179.7°
C7C6NC1335.5°54.9°
C6C7C12C11168.8°179.7°
C6C7C8C9168.5°179.8°
C6C7C8H111.5°0.3°
C6C7C12H911.3°0.3°
C6NC30C13174.5°180.0°
C6NC30N1172.5°180.0°
NC6C7C1274.1°154.6°
NC6C7C898.2°25.7°
C6NC13C14172.2°180.0°
C6NC13H107.7°0.1°
C6NC30H127.5°0.1°
NC30N1H12180.0°179.9°
NC30N1C15178.7°179.7°
NC30N1C141.5°0.0°
C30NC13C141.7°0.0°
C30NC6H534.7°5.1°
C30NC13H10178.3°179.9°
C30N1C15C1681.0°90.3°
N1C30NC132.0°0.0°
C30N1C15C14179.8°179.7°
C30N1C14C130.4°0.0°
C30N1C14H11179.6°179.9°
C30N1C15H13158.8°29.8°
C30N1C15H1439.1°149.8°
C15C16C24H15120.1°120.0°
C16C15N1H13120.2°120.0°
C16C15N1H14120.2°120.0°
C15C16C24C25101.2°95.3°
C16C15N1C1499.2°90.0°
C15C16C24C2982.1°85.0°
C16C15H13H14119.5°120.0°
C24C16C15N169.5°175.0°
C16C24C25C29176.9°179.7°
C16C24C25C26175.7°180.0°
C16C24C29CL53.6°0.0°
C16C24C29C28175.7°179.7°
C24C16C15H1350.6°55.0°
C24C16C15H14170.3°65.0°
C16C24C25H164.3°0.0°
C7C12C11H9180.0°180.0°
C12C7C8C93.9°0.0°
C7C12C11C100.4°0.0°
C12C7C8H1176.1°180.0°
C12C7C6H542.5°85.4°
C7C12C11H8179.6°180.0°
C8C7C12C113.8°0.0°
C7C8C9H1180.0°179.9°
C7C8C9C100.1°0.1°
C7C8C9H2179.9°180.0°
C8C7C6H5145.2°94.3°
C8C7C12H9176.2°180.0°
NC13C14N10.8°0.0°
NC13C14H10180.0°179.9°
C13NC6H5152.0°174.9°
NC13C14H11179.2°180.0°
C13NC30H12178.0°179.9°
C15N1C14C13179.8°179.8°
C15N1C14H110.2°0.3°
C15N1C30H121.3°0.2°
N1C15H13H14119.5°120.0°
N1C15C16H15170.3°55.0°
C12C11C10H8180.0°180.0°
C12C11C10C94.6°0.0°
C12C11C10CL1167.6°180.0°
C24C25C26H16180.0°180.0°
C24C25C26C270.0°0.0°
C25C24C29CL5179.7°179.7°
C25C24C29C281.1°0.5°
C25C24C16H15138.8°144.8°
C24C25C26H17180.0°180.0°
C26C25C24C291.2°0.3°
C25C26C27H17180.0°180.0°
C25C26C27C281.3°0.0°
C25C26C27CL4175.8°180.0°
C8C9C10C114.5°0.0°
C8C9C10H2180.0°179.9°
C8C9C10CL1167.7°180.0°
N1C14C13H11180.0°179.9°
N1C14C13H10179.2°179.9°
C14N1C30H12178.5°179.9°
C14N1C15H1321.0°149.9°
C14N1C15H14140.7°29.9°
C24C29CL5C28179.3°179.8°
C24C29C28C270.2°0.5°
C29C24C16H1537.9°35.0°
C29C24C25H16178.8°179.7°
C24C29C28H18179.8°179.7°
C26C27C28C291.4°0.3°
C26C27C28CL4177.2°180.0°
C27C26C25H16180.0°180.0°
C26C27C28H18178.6°180.0°
C11C10C9CL1172.2°180.0°
C11C10C9H2175.5°180.0°
C10C11C12H9179.6°180.0°
C10C9C8H1179.8°180.0°
C9C10C11H8175.4°180.0°
CL5C29C28C27179.1°179.7°
CL5C29C28H180.9°0.0°
C29C28C27H18180.0°179.7°
C29C28C27CL4175.7°179.8°
CL1C10C9H212.2°0.1°
CL1C10C11H812.4°0.0°
C28C27C26H17178.7°180.0°
CL4C27C26H174.2°0.0°
CL4C27C28H184.3°0.0°
H1C8C9H20.1°0.1°
H3C1C2H71.4°0.3°
H4C5C4H60.2°0.0°
H8C11C12H90.4°0.0°
H10C13C14H110.8°0.1°
H13C15C16H1569.5°65.0°
H14C15C16H1550.2°175.0°
H16C25C26H170.0°0.0°
H21C19C20H221.0°0.0°

222415

PDB entries from 2024-07-10

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