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SummaryGeometryRelated PDB entries

MXJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C01C02sing1.53Å1.52Å
C02C03sing1.53Å1.53Å
N23C21sing1.47Å1.57Å
C21C22sing1.53Å1.62Å
C21C20sing1.53Å1.58Å
C22N06sing1.47Å1.48Å
C03N04sing1.47Å1.49Å
N04C05sing1.35Å1.43Å
C20C08sing1.53Å1.56Å
N06C05sing1.35Å1.52Å
N06C07sing1.47Å1.51Å
C05O24doub1.21Å1.22Å
C08C07sing1.53Å1.60Å
C08C09sing1.51Å1.63Å
O10C09doub1.21Å1.23Å
C09N11sing1.35Å1.46Å
N11C12sing1.40Å1.52Å
C12C13doub1.39Å1.42ÅAromatic
C12C19sing1.39Å1.44ÅAromatic
C13C14sing1.38Å1.42ÅAromatic
C19C18doub1.38Å1.42ÅAromatic
C14F15sing1.35Å1.38Å
C14C16doub1.39Å1.40ÅAromatic
C18C16sing1.38Å1.41ÅAromatic
C16CL1sing1.74Å1.78Å
C01H1sing1.09Å1.10Å
C01H2sing1.09Å1.10Å
C01H3sing1.09Å1.10Å
C02H4sing1.09Å1.10Å
C02H5sing1.09Å1.10Å
C03H6sing1.09Å1.10Å
C03H7sing1.09Å1.10Å
C07H8sing1.09Å1.10Å
C07H9sing1.09Å1.10Å
C08H10sing1.09Å1.10Å
C13H11sing1.08Å1.08Å
C18H12sing1.08Å1.08Å
C19H13sing1.08Å1.08Å
C20H14sing1.09Å1.10Å
C20H15sing1.09Å1.10Å
C21H16sing1.09Å1.10Å
C22H17sing1.09Å1.10Å
C22H18sing1.09Å1.10Å
N04H19sing0.97Å1.00Å
N11H20sing0.97Å1.00Å
N23H21sing1.01Å1.00Å
N23H22sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C01C02C03120.7°109.4°
C02C01H1109.5°109.4°
C02C01H2109.5°109.4°
C02C01H3109.5°109.5°
C01C02H4106.6°109.5°
C01C02H5106.6°109.4°
C02C03N04105.7°109.5°
C03C02H4106.6°109.5°
C03C02H5106.6°109.5°
C02C03H6110.4°109.5°
C02C03H7110.4°109.5°
N23C21C22111.2°109.5°
N23C21C20109.3°109.4°
N23C21H16107.8°109.5°
C21N23H21109.5°111.0°
C21N23H22109.4°111.0°
C22C21C20113.3°109.3°
C21C22N06112.7°108.8°
C22C21H16107.3°109.6°
C21C22H17108.7°109.6°
C21C22H18108.6°109.6°
C21C20C08111.6°109.5°
C21C20H14108.9°109.4°
C21C20H15108.9°109.4°
C20C21H16107.8°109.5°
C22N06C05119.0°120.6°
C22N06C07116.9°118.6°
N06C22H17108.6°109.5°
N06C22H18108.7°109.6°
C03N04C05130.0°120.0°
N04C03H6110.4°109.4°
N04C03H7110.4°109.5°
C03N04H19115.0°120.0°
N04C05N06118.4°120.0°
N04C05O24120.3°120.0°
C05N04H19115.0°120.0°
C20C08C07107.9°109.3°
C20C08C09112.3°109.5°
C20C08H10109.0°109.5°
C08C20H14108.9°109.5°
C08C20H15108.9°109.5°
C05N06C07124.1°120.8°
N06C05O24121.2°120.0°
N06C07C08114.9°108.9°
N06C07H8108.1°109.6°
N06C07H9108.1°109.6°
C07C08C09111.0°109.5°
C08C07H8108.1°109.6°
C08C07H9108.1°109.5°
C07C08H10108.5°109.5°
C08C09O10114.3°120.0°
C08C09N11125.7°120.0°
C09C08H10108.2°109.5°
O10C09N11120.0°120.0°
C09N11C12128.7°120.0°
C09N11H20115.6°120.0°
N11C12C13122.7°120.1°
N11C12C19120.1°120.0°
C12N11H20115.7°120.0°
C13C12C19117.1°119.9°
C12C13C14120.3°119.9°
C12C13H11119.8°120.0°
C12C19C18121.1°120.0°
C12C19H13119.4°120.1°
C13C14F15120.2°120.0°
C13C14C16122.4°120.0°
C14C13H11119.8°120.0°
C19C18C16120.8°120.1°
C19C18H12119.6°120.0°
C18C19H13119.5°119.9°
F15C14C16117.4°120.0°
C14C16C18118.3°120.1°
C14C16CL1119.8°120.0°
C18C16CL1122.0°120.0°
C16C18H12119.6°119.9°
H1C01H2109.5°109.5°
H1C01H3109.5°109.5°
H2C01H3109.4°109.5°
H4C02H5109.5°109.5°
H6C03H7109.5°109.5°
H8C07H9109.5°109.6°
H14C20H15109.5°109.5°
H17C22H18109.5°109.7°
H21N23H22109.5°111.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C01C02C03H4121.6°120.0°
C01C02C03H5121.6°119.9°
C01C02C03N04177.3°179.9°
C02C01H1H2120.0°119.9°
C02C01H1H3120.0°120.1°
C02C01H2H3120.0°120.1°
C01C02H4H5114.9°120.0°
C01C02C03H663.3°60.0°
C01C02C03H757.9°60.0°
C02C03N04H6119.4°120.0°
C02C03N04H7119.4°120.0°
C02C03N04C05160.0°180.0°
C03C02C01H1180.0°180.0°
C03C02C01H260.0°60.0°
C03C02C01H360.0°60.0°
C03C02H4H5114.9°120.0°
C02C03H6H7121.7°120.0°
C02C03N04H1920.0°0.0°
N23C21C22C20123.5°119.9°
N23C21C22H16117.7°120.1°
N23C21C20H16116.9°120.1°
N23C21C22N0693.7°174.6°
N23C21C20C08150.8°178.7°
N23C21C20H1430.5°58.7°
N23C21C20H1588.9°61.3°
N23C21C22H17145.8°65.7°
N23C21C22H1826.8°54.7°
C21N23H21H22120.0°123.9°
C22C21C20H16118.6°120.0°
C21C22N06H17120.5°119.8°
C21C22N06H18120.5°119.9°
C22C21C20C0826.2°61.4°
C21C22N06C05127.7°126.4°
C21C22N06C0751.3°53.6°
C22C21C20H1494.1°178.6°
C22C21C20H15146.5°58.6°
C21C22H17H18118.5°120.4°
C22C21N23H21180.0°60.0°
C22C21N23H2260.0°176.0°
C20C21C22N0629.8°54.7°
C21C20C08H14120.3°120.0°
C21C20C08H15120.3°120.0°
C21C20C08C0761.7°61.4°
C21C20C08C09175.8°178.7°
C21C20C08H1055.9°58.6°
C21C20H14H15119.1°120.0°
C20C21C22H1790.7°174.4°
C20C21C22H18150.3°65.2°
C20C21N23H2154.2°179.8°
C20C21N23H2265.8°56.3°
C22N06C05N041.5°175.0°
C22N06C05C07179.0°180.0°
C22N06C05O24178.9°5.0°
C22N06C07C0814.0°53.6°
C22N06C07H8106.8°66.3°
C22N06C07H9134.8°173.4°
N06C22C21H16148.6°65.3°
N06C22H17H18118.5°120.3°
C03N04C05H19180.0°180.0°
C03N04C05N06172.2°174.9°
C03N04C05O248.2°5.1°
N04C03C02H455.8°60.0°
N04C03C02H561.1°60.0°
N04C03H6H7121.7°120.0°
N04C05N06O24179.6°180.0°
N04C05N06C07177.5°5.0°
C05N04C03H640.7°60.0°
C05N04C03H780.6°60.0°
C20C08C07N0642.7°54.7°
C20C08C07C09123.4°119.9°
C20C08C07H10117.9°120.0°
C20C08C09H10120.3°120.1°
C20C08C09O1062.1°0.1°
C20C08C09N11118.5°179.8°
C20C08C07H8163.5°65.2°
C20C08C07H978.1°174.6°
C08C20H14H15119.0°120.0°
C08C20C21H1692.3°58.6°
C05N06C07C08165.0°126.4°
C05N06C07H874.2°113.7°
C05N06C07H944.2°6.6°
C05N06C22H17111.8°6.6°
C05N06C22H187.2°113.7°
N06C05N04H197.9°5.1°
C07N06C05O242.1°175.0°
N06C07C08H8120.8°119.9°
N06C07C08H9120.8°119.8°
N06C07C08C09166.0°174.7°
N06C07H8H9117.5°120.4°
N06C07C08H1075.3°65.3°
C07N06C22H1769.2°173.4°
C07N06C22H18171.8°66.3°
O24C05N04H19171.7°174.9°
C07C08C09H10118.9°120.1°
C07C08C09O10177.1°120.0°
C07C08C09N112.3°60.0°
C08C07H8H9117.6°120.2°
C07C08C20H1458.6°178.6°
C07C08C20H15178.0°58.6°
C08C09O10N11179.4°179.9°
C08C09N11C12179.6°174.9°
C09C08C07H873.2°54.8°
C09C08C07H945.2°65.5°
C09C08C20H1463.9°58.7°
C09C08C20H1555.5°61.3°
C08C09N11H200.4°5.1°
O10C09N11C121.1°5.2°
O10C09C08H1058.2°119.9°
O10C09N11H20178.9°174.9°
C09N11C12H20180.0°180.0°
C09N11C12C136.0°33.1°
C09N11C12C19173.2°147.1°
N11C09C08H10121.2°60.1°
N11C12C13C19179.2°179.7°
N11C12C13C14179.4°179.7°
N11C12C19C18179.5°179.7°
N11C12C13H110.5°0.3°
N11C12C19H130.5°0.2°
C12C13C14H11180.0°180.0°
C13C12C19C180.3°0.0°
C12C13C14F15179.7°180.0°
C12C13C14C160.0°0.0°
C13C12C19H13179.7°179.9°
C13C12N11H20174.0°146.8°
C19C12C13C140.2°0.0°
C12C19C18H13180.0°179.9°
C12C19C18C160.1°0.0°
C19C12C13H11179.8°180.0°
C12C19C18H12179.9°179.9°
C19C12N11H206.8°32.9°
C13C14F15C16179.7°180.0°
C13C14C16C180.2°0.0°
C13C14C16CL1180.0°180.0°
C19C18C16C140.1°0.0°
C19C18C16H12180.0°179.9°
C19C18C16CL1179.9°180.0°
F15C14C16C18179.9°180.0°
F15C14C16CL10.3°0.0°
F15C14C13H110.3°0.0°
C14C16C18CL1179.8°180.0°
C16C14C13H11180.0°180.0°
C14C16C18H12179.9°179.9°
C16C18C19H13179.9°180.0°
CL1C16C18H120.1°0.1°
H1C01H2H3120.0°120.0°
H1C01C02H458.5°60.0°
H1C01C02H558.4°60.1°
H2C01C02H461.6°60.0°
H2C01C02H5178.5°180.0°
H3C01C02H4178.5°180.0°
H3C01C02H561.6°59.9°
H4C02C03H6175.2°180.0°
H4C02C03H763.6°60.0°
H5C02C03H658.3°60.0°
H5C02C03H7179.5°180.0°
H6C03N04H19139.4°120.0°
H7C03N04H1999.4°120.0°
H8C07C08H1045.5°174.8°
H9C07C08H10163.9°54.6°
H10C08C20H14176.2°61.4°
H10C08C20H1564.4°178.6°
H12C18C19H130.1°0.0°
H14C20C21H16147.4°61.4°
H15C20C21H1628.0°178.6°
H16C21C22H1728.1°54.4°
H16C21C22H1890.9°174.8°
H16C21N23H2162.6°60.1°
H16C21N23H22177.4°63.8°

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PDB entries from 2024-07-17

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