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PUO

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CLC20sing1.74Å1.74Å
O1C11sing1.37Å1.42Å
O1C12sing1.42Å1.43Å
C20C19doub1.38Å1.38ÅAromatic
C20C15sing1.39Å1.39ÅAromatic
FC10sing1.35Å1.36Å
C19C18sing1.38Å1.39ÅAromatic
C11C10doub1.39Å1.38ÅAromatic
C11C6sing1.38Å1.41ÅAromatic
C10C9sing1.39Å1.39ÅAromatic
C12C13sing1.53Å1.51Å
C6C5sing1.50Å1.52Å
C6C7doub1.38Å1.40ÅAromatic
C9C15sing1.48Å1.50Å
C9C8doub1.41Å1.41ÅAromatic
C5N1sing1.48Å1.47Å
C15C16doub1.40Å1.39ÅAromatic
C13N1sing1.47Å1.48Å
C13C14sing1.54Å1.52Å
C18C17doub1.38Å1.39ÅAromatic
C8C7sing1.40Å1.39ÅAromatic
C8C21sing1.43Å1.44Å
OC2doub1.21Å1.28Å
C21C22trip1.17Å1.19Å
N1C4sing1.47Å1.49Å
C14Nsing1.46Å1.48Å
C22C23sing1.47Å1.45Å
C4C3sing1.53Å1.49Å
C16C17sing1.39Å1.41ÅAromatic
C16O2sing1.36Å1.36Å
C2Nsing1.35Å1.34Å
C2C1sing1.51Å1.57Å
NC3sing1.47Å1.49Å
CC1sing1.53Å1.48Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C3H3sing1.09Å1.10Å
C3H4sing1.09Å1.10Å
C7H5sing1.08Å1.08Å
C12H6sing1.09Å1.10Å
C12H7sing1.09Å1.10Å
C13H8sing1.09Å1.10Å
C14H9sing1.09Å1.10Å
C14H10sing1.09Å1.10Å
C19H11sing1.08Å1.08Å
C18H12sing1.08Å1.08Å
C17H13sing1.08Å1.08Å
O2H14sing0.97Å0.95Å
C23H15sing1.09Å1.10Å
C23H16sing1.09Å1.10Å
C23H17sing1.09Å1.10Å
C5H18sing1.09Å1.10Å
C5H19sing1.09Å1.10Å
C4H21sing1.09Å1.10Å
C4H22sing1.09Å1.10Å
CH23sing1.09Å1.10Å
CH24sing1.09Å1.10Å
CH25sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CLC20C19117.9°120.0°
CLC20C15119.7°120.1°
C11O1C12107.9°115.4°
O1C11C10119.5°120.5°
O1C11C6120.7°118.7°
O1C12C13119.8°112.6°
O1C12H6106.8°108.9°
O1C12H7106.8°108.8°
C19C20C15122.0°119.9°
C20C19C18119.1°120.2°
C20C19H11120.5°119.9°
C20C15C9120.4°120.2°
C20C15C16118.6°119.7°
FC10C11119.1°120.2°
FC10C9118.4°120.2°
C19C18C17120.4°120.3°
C18C19H11120.5°119.9°
C19C18H12119.8°119.8°
C10C11C6119.5°120.8°
C11C10C9122.5°119.5°
C11C6C5120.5°119.1°
C11C6C7118.5°120.4°
C10C9C15122.4°120.2°
C10C9C8117.8°119.6°
C12C13N1106.9°111.8°
C12C13C14101.3°106.0°
C13C12H6106.8°108.9°
C13C12H7106.8°108.8°
C12C13H8112.4°109.4°
C5C6C7120.8°120.5°
C6C5N1116.0°110.2°
C6C5H18107.8°109.3°
C6C5H19107.8°109.3°
C6C7C8121.7°119.7°
C6C7H5119.2°120.1°
C15C9C8119.7°120.2°
C9C15C16121.0°120.2°
C9C8C7119.8°119.9°
C9C8C21121.0°120.0°
C5N1C13112.8°111.1°
C5N1C4107.9°106.7°
N1C5H18107.8°109.4°
N1C5H19107.8°109.3°
C15C16C17120.4°119.8°
C15C16O2120.1°120.1°
N1C13C14110.4°111.0°
C13N1C4106.3°112.7°
N1C13H8112.9°109.4°
C13C14N110.3°110.4°
C14C13H8112.2°109.2°
C13C14H9109.3°109.3°
C13C14H10109.3°109.3°
C18C17C16119.4°120.1°
C17C18H12119.8°119.9°
C18C17H13120.3°119.9°
C7C8C21119.2°120.1°
C8C7H5119.1°120.1°
C8C21C22177.9°179.9°
OC2N122.1°120.0°
OC2C1117.5°120.0°
C21C22C23179.3°180.0°
N1C4C3110.4°110.9°
N1C4H21109.2°109.2°
N1C4H22109.2°109.2°
C14NC2117.4°121.5°
C14NC3117.0°117.1°
NC14H9109.3°109.3°
NC14H10109.3°109.3°
C22C23H15109.5°109.5°
C22C23H16109.4°109.5°
C22C23H17109.5°109.5°
C4C3N110.7°107.2°
C4C3H3109.2°109.9°
C4C3H4109.2°109.9°
C3C4H21109.2°109.2°
C3C4H22109.2°109.2°
C17C16O2119.4°120.1°
C16C17H13120.3°120.0°
C16O2H14109.5°113.9°
NC2C1120.4°120.0°
C2NC3125.5°121.4°
C2C1C110.8°109.5°
C2C1H1109.1°109.5°
C2C1H2109.1°109.4°
NC3H3109.2°109.9°
NC3H4109.2°109.9°
CC1H1109.1°109.5°
CC1H2109.2°109.5°
C1CH23109.5°109.5°
C1CH24109.5°109.5°
C1CH25109.5°109.4°
H1C1H2109.4°109.4°
H3C3H4109.4°109.9°
H6C12H7109.5°108.8°
H9C14H10109.5°109.1°
H15C23H16109.4°109.5°
H15C23H17109.5°109.5°
H16C23H17109.5°109.5°
H18C5H19109.5°109.2°
H21C4H22109.5°109.2°
H23CH24109.5°109.5°
H23CH25109.5°109.5°
H24CH25109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CLC20C19C15172.7°180.0°
CLC20C19C18176.6°179.9°
CLC20C15C95.7°0.0°
CLC20C15C16173.8°179.7°
CLC20C19H113.4°0.2°
O1C11C10F6.0°2.1°
O1C11C10C6174.4°178.6°
O1C11C10C9172.0°177.9°
C11O1C12C1389.2°86.6°
O1C11C6C513.3°2.7°
O1C11C6C7171.3°177.6°
C11O1C12H6149.3°34.2°
C11O1C12H732.3°152.6°
C12O1C11C10116.6°110.3°
C12O1C11C669.1°68.3°
O1C12C13H6121.4°120.9°
O1C12C13H7121.5°120.7°
O1C12C13N174.2°65.4°
O1C12C13C14170.2°173.5°
O1C12H6H7115.3°118.4°
O1C12C13H850.2°55.9°
C20C19C18H11180.0°179.8°
C19C20C15C9178.2°180.0°
C19C20C15C161.2°0.3°
C20C19C18C174.1°0.3°
C20C19C18H12175.9°179.7°
C15C20C19C183.9°0.0°
C20C15C9C1074.8°89.7°
C20C15C9C16179.4°179.7°
C20C15C9C8108.8°90.3°
C20C15C16C171.3°0.3°
C20C15C16O2176.6°179.8°
C15C20C19H11176.1°179.8°
FC10C11C9178.1°180.0°
FC10C11C6179.6°179.4°
FC10C9C156.7°0.1°
FC10C9C8176.9°179.9°
C19C18C17H12180.0°180.0°
C19C18C17C161.7°0.3°
C19C18C17H13178.3°179.8°
C10C11C6C5172.4°178.7°
C10C11C6C73.0°1.0°
C11C10C9C15175.3°179.9°
C11C10C9C81.2°0.1°
C6C11C10C92.4°0.7°
C11C6C5C7175.4°179.7°
C11C6C5N154.8°70.0°
C11C6C7C80.2°0.6°
C11C6C7H5179.8°179.4°
C11C6C5H18175.8°169.7°
C11C6C5H1966.2°50.2°
C10C9C15C8176.4°180.0°
C10C9C15C16104.6°90.0°
C10C9C8C74.1°0.5°
C10C9C8C21178.9°179.5°
C12C13N1C567.2°67.3°
C12C13N1C14109.3°118.2°
C12C13N1H8124.1°121.3°
C12C13C14H8120.1°117.7°
C12C13N1C4174.8°173.1°
C12C13C14N167.2°170.5°
C13C12H6H7115.3°118.4°
C12C13C14H972.6°69.2°
C12C13C14H1047.1°50.2°
C6C5N1H18121.0°120.3°
C6C5N1H19121.0°120.2°
C6C5N1C1381.2°86.2°
C5C6C7C8175.3°179.1°
C6C5N1C4161.7°150.7°
C5C6C7H54.7°1.0°
C6C5H18H19117.0°119.6°
C6C7C8C93.4°0.1°
C7C6C5N1120.6°110.3°
C6C7C8H5180.0°180.0°
C6C7C8C21179.5°179.8°
C7C6C5H180.4°10.0°
C7C6C5H19118.5°129.5°
C15C9C8C7172.5°179.5°
C15C9C8C214.5°0.5°
C9C15C16C17179.3°180.0°
C9C15C16O22.8°0.1°
C8C9C15C1671.8°90.0°
C9C8C7C21177.1°180.0°
C9C8C21C22136.3°96.0°
C9C8C7H5176.6°179.9°
C5N1C13C4118.0°119.6°
C5N1C13C14176.5°174.6°
C5N1C4C3172.4°178.1°
C5N1C13H856.9°54.0°
N1C5H18H19117.0°119.6°
C5N1C4H2152.3°61.6°
C5N1C4H2267.5°57.7°
C15C16C17C181.0°0.0°
C15C16C17O2177.9°179.9°
C15C16C17H13179.0°179.9°
C15C16O2H14180.0°90.0°
N1C13C14H8126.9°120.7°
N1C13C14N54.3°48.9°
C13N1C4C366.3°59.7°
N1C13C12H6164.3°55.4°
N1C13C12H747.3°173.9°
N1C13C14H9174.4°169.2°
N1C13C14H1065.9°71.4°
C13N1C5H18157.8°153.5°
C13N1C5H1939.7°34.0°
C13N1C4H21173.5°60.6°
C13N1C4H2253.8°179.9°
C14C13N1C465.4°54.9°
C13C14NH9120.1°120.3°
C13C14NH10120.1°120.3°
C13C14NC2131.8°128.3°
C13C14NC344.2°51.8°
C14C13C12H648.7°65.7°
C14C13C12H768.3°52.7°
C13C14H9H10119.6°119.5°
C18C17C16H13180.0°179.9°
C18C17C16O2176.9°179.9°
C17C18C19H11175.9°179.9°
C7C8C21C2246.6°84.0°
C8C21C22C23154.7°160.3°
C21C8C7H50.5°0.1°
OC2NC1418.2°0.0°
OC2NC1178.6°180.0°
OC2NC3157.4°179.9°
OC2C1C62.8°0.0°
OC2C1H157.4°120.0°
OC2C1H2177.0°120.1°
C21C22C23H15180.0°103.7°
C21C22C23H1660.0°136.3°
C21C22C23H1760.0°16.3°
N1C4C3H21120.1°120.3°
N1C4C3H22120.1°120.4°
N1C4C3N55.4°56.2°
N1C4C3H364.8°63.2°
N1C4C3H4175.6°175.7°
C4N1C13H861.1°65.6°
C4N1C5H1840.7°30.4°
C4N1C5H1977.3°89.2°
N1C4H21H22119.6°119.4°
C14NC3C445.1°54.9°
C14NC2C3175.6°179.9°
C14NC2C1163.2°179.9°
C14NC3H375.1°64.6°
C14NC3H4165.3°174.3°
NC14C13H872.6°71.8°
NC14H9H10119.6°119.5°
C22C23H15H16120.0°120.0°
C22C23H15H17120.0°120.0°
C22C23H16H17120.0°120.0°
C4C3NC2130.5°125.2°
C4C3NH3120.2°119.4°
C4C3NH4120.2°119.4°
C4C3H3H4119.4°121.1°
C3C4H21H22119.6°119.3°
C16C17C18H12178.3°179.7°
C17C16O2H142.1°90.1°
O2C16C17H133.1°0.0°
NC2C1C115.9°180.0°
NC2C1H1123.9°59.9°
NC2C1H24.3°60.0°
C2NC3H3109.3°115.3°
C2NC3H410.3°5.8°
C2NC14H911.7°8.0°
C2NC14H10108.1°111.4°
C1C2NC321.2°0.0°
C2C1CH1120.2°120.1°
C2C1CH2120.2°120.0°
C2C1H1H2119.4°119.9°
C2C1CH23180.0°60.0°
C2C1CH2460.0°60.0°
C2C1CH2560.0°180.0°
NC3H3H4119.4°121.1°
C3NC14H9164.3°172.1°
C3NC14H1076.0°68.5°
NC3C4H21175.5°64.1°
NC3C4H2264.7°176.6°
CC1H1H2119.4°120.0°
C1CH23H24120.0°120.0°
C1CH23H25120.0°119.9°
C1CH24H25120.0°120.0°
H1C1CH2359.8°179.9°
H1C1CH24179.8°60.1°
H1C1CH2560.2°60.0°
H2C1CH2359.8°60.0°
H2C1CH2460.2°180.0°
H2C1CH25179.8°60.0°
H3C3C4H2155.3°176.5°
H3C3C4H22175.0°57.2°
H4C3C4H2164.3°55.4°
H4C3C4H2255.5°63.9°
H6C12C13H871.3°176.7°
H7C12C13H8171.7°64.9°
H8C13C14H947.5°48.5°
H8C13C14H10167.2°167.9°
H11C19C18H124.1°0.1°
H12C18C17H131.7°0.2°
H15C23H16H17120.0°120.0°
H23CH24H25120.0°120.0°

222624

PDB entries from 2024-07-17

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