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UXM

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C17C16doub1.38Å1.39ÅAromatic
C17C18sing1.38Å1.39ÅAromatic
C16C15sing1.38Å1.39ÅAromatic
C18C13doub1.38Å1.39ÅAromatic
O12C10doub1.21Å1.18Å
C15C14doub1.38Å1.39ÅAromatic
C13C14sing1.38Å1.38ÅAromatic
C13C09sing1.51Å1.53Å
N11C10sing1.35Å1.45Å
C10C09sing1.51Å1.53Å
C09S08sing1.81Å1.82Å
S08C07sing1.76Å1.81Å
N06C05trip1.14Å1.13Å
C05C04sing1.43Å1.53Å
C07C04doub1.41Å1.38ÅAromatic
C07N19sing1.32Å1.32ÅAromatic
C04C03sing1.40Å1.39ÅAromatic
N25C24sing1.47Å1.45Å
N19C20doub1.32Å1.32ÅAromatic
C24C26sing1.53Å1.45Å
C24C23sing1.53Å1.45Å
C26C27sing1.53Å1.53Å
C03C02sing1.51Å1.53Å
C03C28doub1.40Å1.39ÅAromatic
C20C28sing1.41Å1.39ÅAromatic
C20N21sing1.38Å1.45Å
C23C22sing1.53Å1.52Å
C27N21sing1.47Å1.53Å
C02C01sing1.53Å1.53Å
C22N21sing1.47Å1.53Å
C28C29sing1.43Å1.53Å
C29N30trip1.14Å1.13Å
C01H1sing1.09Å1.10Å
C01H2sing1.09Å1.10Å
C01H3sing1.09Å1.10Å
C02H4sing1.09Å1.10Å
C02H5sing1.09Å1.10Å
C09H6sing1.09Å1.10Å
C14H7sing1.08Å1.08Å
C15H8sing1.08Å1.08Å
C16H9sing1.08Å1.08Å
C17H10sing1.08Å1.08Å
C18H11sing1.08Å1.08Å
C22H12sing1.09Å1.10Å
C22H13sing1.09Å1.10Å
C23H14sing1.09Å1.10Å
C23H15sing1.09Å1.10Å
C24H16sing1.09Å1.10Å
C26H17sing1.09Å1.10Å
C26H18sing1.09Å1.10Å
C27H19sing1.09Å1.10Å
C27H20sing1.09Å1.10Å
N11H21sing0.97Å1.00Å
N11H22sing0.97Å1.00Å
N25H23sing1.01Å1.00Å
N25H24sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C16C17C18119.6°120.0°
C17C16C15120.1°120.0°
C17C16H9119.9°120.0°
C16C17H10120.2°120.0°
C17C18C13120.2°120.0°
C18C17H10120.2°120.0°
C17C18H11119.9°120.0°
C16C15C14120.3°120.0°
C16C15H8119.9°120.1°
C15C16H9119.9°120.0°
C18C13C14120.2°120.0°
C18C13C09119.5°120.0°
C13C18H11119.9°120.0°
O12C10N11119.2°120.0°
O12C10C09118.6°119.9°
C15C14C13119.6°120.0°
C15C14H7120.2°120.0°
C14C15H8119.8°120.0°
C14C13C09120.3°120.0°
C13C14H7120.2°120.0°
C13C09C10110.7°109.4°
C13C09S08108.4°109.5°
C13C09H6109.7°109.5°
N11C10C09122.2°120.0°
C10N11H21120.0°120.0°
C10N11H22120.0°120.0°
C10C09S08111.9°109.4°
C10C09H6109.6°109.5°
C09S08C07108.8°100.0°
S08C09H6106.4°109.5°
S08C07C04118.9°119.6°
S08C07N19119.4°119.6°
N06C05C04179.6°180.0°
C05C04C07119.2°120.5°
C05C04C03122.7°120.4°
C04C07N19121.7°120.8°
C07C04C03118.1°119.1°
C07N19C20121.6°121.8°
C04C03C02120.8°120.9°
C04C03C28119.4°118.3°
N25C24C26109.0°109.5°
N25C24C23108.6°109.5°
N25C24H16108.7°109.5°
C24N25H23109.5°111.0°
C24N25H24109.5°111.0°
N19C20C28120.9°120.8°
N19C20N21116.7°119.5°
C26C24C23113.0°109.2°
C24C26C27115.5°109.3°
C26C24H16108.7°109.6°
C24C26H17108.0°109.5°
C24C26H18108.0°109.5°
C24C23C22110.9°109.3°
C24C23H14109.1°109.6°
C24C23H15109.1°109.6°
C23C24H16108.7°109.5°
C26C27N21116.4°109.5°
C27C26H17108.0°109.5°
C27C26H18108.0°109.5°
C26C27H19107.7°109.5°
C26C27H20107.7°109.5°
C02C03C28119.8°120.8°
C03C02C01114.9°109.5°
C03C02H4108.1°109.5°
C03C02H5108.1°109.4°
C03C28C20118.4°119.1°
C03C28C29119.9°120.5°
C28C20N21122.4°119.7°
C20C28C29121.7°120.4°
C20N21C27116.5°111.0°
C20N21C22119.2°111.1°
C23C22N21115.3°109.5°
C23C22H12108.0°109.5°
C23C22H13108.0°109.5°
C22C23H14109.1°109.5°
C22C23H15109.1°109.4°
C27N21C22108.9°111.2°
N21C27H19107.7°109.4°
N21C27H20107.7°109.5°
C02C01H1109.5°109.5°
C02C01H2109.5°109.4°
C02C01H3109.5°109.5°
C01C02H4108.1°109.5°
C01C02H5108.1°109.4°
N21C22H12108.0°109.4°
N21C22H13108.0°109.4°
C28C29N30179.9°180.0°
H1C01H2109.5°109.5°
H1C01H3109.5°109.5°
H2C01H3109.4°109.4°
H4C02H5109.5°109.4°
H12C22H13109.4°109.5°
H14C23H15109.5°109.4°
H17C26H18109.4°109.5°
H19C27H20109.5°109.5°
H21N11H22120.0°120.0°
H23N25H24109.4°111.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C16C17C18H10180.0°179.7°
C17C16C15H9180.0°180.0°
C16C17C18C130.1°0.6°
C17C16C15C140.1°0.1°
C17C16C15H8179.9°180.0°
C16C17C18H11179.9°180.0°
C18C17C16C150.2°0.3°
C17C18C13H11180.0°179.4°
C17C18C13C140.0°0.5°
C17C18C13C09180.0°179.7°
C18C17C16H9179.8°179.8°
C16C15C14H8180.0°179.9°
C16C15C14C130.0°0.1°
C16C15C14H7180.0°180.0°
C15C16C17H10179.8°180.0°
C18C13C14C150.1°0.2°
C18C13C14C09180.0°179.8°
C18C13C09C1064.2°64.6°
C18C13C09S0858.9°55.4°
C18C13C09H6174.7°175.4°
C18C13C14H7179.9°179.7°
C13C18C17H10179.9°179.7°
O12C10C09C1338.2°86.2°
O12C10N11C09179.9°179.8°
O12C10C09S08159.2°153.8°
O12C10C09H683.0°33.8°
O12C10N11H210.0°174.2°
O12C10N11H22180.0°5.8°
C15C14C13H7180.0°179.9°
C15C14C13C09180.0°180.0°
C14C15C16H9179.9°179.9°
C14C13C09C10115.8°115.2°
C14C13C09S08121.1°124.9°
C14C13C09H65.3°4.8°
C13C14C15H8180.0°180.0°
C14C13C18H11180.0°180.0°
C13C09C10N11142.0°93.6°
C13C09C10S08121.0°120.0°
C13C09C10H6121.1°120.0°
C13C09S08H6117.9°120.0°
C13C09S08C07165.5°170.3°
C09C13C14H70.1°0.1°
C09C13C18H110.0°0.3°
N11C10C09S0820.9°26.4°
N11C10C09H696.9°146.4°
C10N11H21H22179.9°180.0°
C10C09S08H6119.7°120.0°
C10C09S08C0772.1°69.8°
C09C10N11H21179.9°5.6°
C09C10N11H220.1°174.5°
C09S08C07C04172.7°175.5°
C09S08C07N197.4°4.5°
S08C07C04C050.1°0.0°
S08C07C04N19180.0°180.0°
S08C07C04C03179.6°180.0°
S08C07N19C20179.8°179.8°
C07S08C09H647.6°50.3°
N06C05C04C075.9°106.3°
N06C05C04C03173.5°73.7°
C05C04C07C03179.5°180.0°
C05C04C07N19179.9°180.0°
C05C04C03C021.1°0.0°
C05C04C03C28179.9°179.8°
C04C07N19C200.3°0.3°
C07C04C03C02179.5°180.0°
C07C04C03C280.6°0.3°
N19C07C04C030.5°0.0°
C07N19C20C280.2°0.3°
C07N19C20N21179.3°179.8°
C04C03C02C28178.9°179.7°
C04C03C28C200.5°0.2°
C04C03C02C0167.0°89.7°
C04C03C28C29179.7°179.7°
C04C03C02H453.8°150.2°
C04C03C02H5172.2°30.3°
N25C24C26C23120.9°119.9°
N25C24C26H16118.3°120.2°
N25C24C23H16118.1°120.1°
N25C24C26C27128.9°177.6°
N25C24C23C22176.7°177.6°
N25C24C23H1463.1°57.6°
N25C24C23H1556.5°62.5°
N25C24C26H178.0°57.6°
N25C24C26H18110.2°62.5°
C24N25H23H24120.0°124.0°
N19C20C28C030.3°0.1°
N19C20C28N21179.1°179.9°
N19C20N21C2716.8°68.4°
N19C20N21C22117.1°55.9°
N19C20C28C29179.9°180.0°
C26C24C23H16120.8°120.0°
C24C26C27H17120.9°120.0°
C24C26C27H18120.9°119.9°
C26C24C23C2255.6°57.7°
C24C26C27N2141.9°59.2°
C26C24C23H14175.8°62.3°
C26C24C23H1564.6°177.6°
C24C26H17H18117.3°120.1°
C24C26C27H1979.1°179.2°
C24C26C27H20163.0°60.8°
C26C24N25H23180.0°180.0°
C26C24N25H2460.0°56.0°
C23C24C26C278.0°57.7°
C24C23C22H14120.2°120.0°
C24C23C22H15120.2°120.0°
C24C23C22N2156.9°59.2°
C24C23C22H1264.0°60.8°
C24C23C22H13177.7°179.2°
C24C23H14H15119.3°120.1°
C23C24C26H17112.9°62.3°
C23C24C26H18128.9°177.6°
C23C24N25H2356.5°60.4°
C23C24N25H24176.5°175.7°
C26C27N21C2099.0°174.1°
C26C27N21H19121.0°120.0°
C26C27N21H20121.0°120.0°
C26C27N21C2239.3°61.7°
C27C26C24H16112.8°62.3°
C27C26H17H18117.3°120.1°
C26C27H19H20116.8°120.0°
C02C03C28C20179.4°180.0°
C03C02C01H4120.8°120.1°
C03C02C01H5120.8°120.0°
C02C03C28C290.8°0.0°
C03C02C01H1180.0°180.0°
C03C02C01H260.0°60.0°
C03C02C01H360.0°59.9°
C03C02H4H5117.5°120.0°
C03C28C20C29179.8°179.9°
C03C28C20N21179.4°180.0°
C28C03C02C01114.2°90.0°
C03C28C29N30116.3°125.6°
C28C03C02H4125.0°30.0°
C28C03C02H56.6°150.0°
C28C20N21C27164.1°111.7°
C28C20N21C2262.0°124.0°
C20C28C29N3064.0°54.3°
C20N21C22C23145.1°174.1°
C20N21C27C22138.3°124.2°
N21C20C28C290.8°0.1°
C20N21C22H1224.2°65.8°
C20N21C22H1394.0°54.1°
C20N21C27H19140.0°54.1°
C20N21C27H2022.0°65.9°
C23C22N21C278.1°61.7°
C23C22N21H12120.9°120.0°
C23C22N21H13120.8°120.0°
C23C22H12H13117.4°120.1°
C22C23H14H15119.4°120.0°
C22C23C24H1665.2°62.3°
C27N21C22H12112.8°58.3°
C27N21C22H13129.0°178.3°
N21C27C26H17162.8°60.8°
N21C27C26H1879.0°179.1°
N21C27H19H20116.8°120.0°
C02C01H1H2120.0°120.0°
C02C01H1H3120.0°120.0°
C02C01H2H3120.0°119.9°
C01C02H4H5117.6°120.0°
N21C22H12H13117.3°119.9°
N21C22C23H14177.1°60.8°
N21C22C23H1563.3°179.2°
C22N21C27H1981.7°178.3°
C22N21C27H20160.3°58.3°
H1C01H2H3120.0°120.0°
H1C01C02H459.2°59.9°
H1C01C02H559.2°60.0°
H2C01C02H4179.2°60.1°
H2C01C02H560.8°180.0°
H3C01C02H460.8°180.0°
H3C01C02H5179.2°60.1°
H7C14C15H80.0°0.1°
H8C15C16H90.1°0.0°
H9C16C17H100.2°0.0°
H10C17C18H110.1°0.3°
H12C22C23H1456.2°179.2°
H12C22C23H15175.8°59.2°
H13C22C23H1462.1°59.1°
H13C22C23H1557.5°60.8°
H14C23C24H1655.0°177.7°
H15C23C24H16174.6°57.6°
H16C24C26H17126.3°177.8°
H16C24C26H188.1°57.7°
H16C24N25H2361.7°59.8°
H16C24N25H2458.4°64.2°
H17C26C27H1941.8°59.2°
H17C26C27H2076.1°179.2°
H18C26C27H19160.0°60.9°
H18C26C27H2042.1°59.1°

222624

PDB entries from 2024-07-17

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