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SummaryGeometryRelated PDB entries

MLX

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
O23N21sing1.22Å1.24Å
O22N21doub1.22Å1.28Å
N21C20sing1.48Å1.45Å
C20C24doub1.38Å1.40ÅAromatic
C20C19sing1.38Å1.39ÅAromatic
C24C25sing1.38Å1.41ÅAromatic
C19C18doub1.38Å1.39ÅAromatic
C25C17doub1.39Å1.39ÅAromatic
C03C04sing1.51Å1.48Å
C18C17sing1.39Å1.40ÅAromatic
C17N06sing1.40Å1.41Å
C04N06sing1.35Å1.37Å
C04O05doub1.21Å1.20Å
N06C07sing1.47Å1.49Å
C07C08sing1.53Å1.53Å
C08C09sing1.53Å1.53Å
F16C13sing1.40Å1.35Å
O12C11doub1.21Å1.20Å
C09N10sing1.47Å1.45Å
C11N10sing1.35Å1.36Å
C11C13sing1.51Å1.54Å
F15C13sing1.40Å1.43Å
C13F14sing1.40Å1.36Å
C03H1sing1.09Å1.10Å
C03H2sing1.09Å1.10Å
C07H4sing1.09Å1.10Å
C07H5sing1.09Å1.10Å
C08H6sing1.09Å1.10Å
C08H7sing1.09Å1.10Å
C09H8sing1.09Å1.10Å
C09H9sing1.09Å1.10Å
N10H10sing0.97Å1.00Å
C18H11sing1.08Å1.08Å
C19H12sing1.08Å1.08Å
C24H13sing1.08Å1.08Å
C25H14sing1.08Å1.08Å
C03CL1sing1.80Å1.71Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
O23N21O22120.8°120.0°
O23N21C20120.4°120.0°
O22N21C20118.6°120.0°
N21C20C24121.1°119.9°
N21C20C19118.1°120.0°
C24C20C19120.6°120.2°
C20C24C25119.4°120.0°
C20C24H13120.3°120.0°
C20C19C18119.6°120.1°
C20C19H12120.2°120.0°
C24C25C17120.0°119.9°
C25C24H13120.3°120.0°
C24C25H14120.0°120.1°
C19C18C17120.9°119.9°
C19C18H11119.5°120.0°
C18C19H12120.2°120.0°
C25C17C18119.3°119.9°
C25C17N06125.1°120.1°
C17C25H14120.0°120.0°
C03C04N06114.7°119.9°
C03C04O05125.5°120.0°
C04C03H1110.9°109.5°
C04C03H2110.9°109.5°
C04C03CL1103.7°109.4°
C18C17N06115.4°120.1°
C17C18H11119.6°120.0°
C17N06C04115.4°120.0°
C17N06C07122.8°120.0°
N06C04O05119.6°120.1°
C04N06C07120.3°120.0°
N06C07C08109.9°109.5°
N06C07H4109.3°109.5°
N06C07H5109.4°109.5°
C07C08C09114.1°109.4°
C08C07H4109.4°109.5°
C08C07H5109.4°109.5°
C07C08H6108.3°109.5°
C07C08H7108.3°109.5°
C08C09N10106.6°109.5°
C09C08H6108.3°109.5°
C09C08H7108.3°109.5°
C08C09H8110.2°109.5°
C08C09H9110.2°109.5°
F16C13C11106.7°109.5°
F16C13F15106.6°109.4°
F16C13F14106.2°109.5°
O12C11N10130.2°120.0°
O12C11C13110.8°120.0°
C09N10C11117.9°120.0°
N10C09H8110.2°109.4°
N10C09H9110.2°109.5°
C09N10H10121.0°120.0°
N10C11C13118.9°120.0°
C11N10H10121.1°120.0°
C11C13F15118.4°109.5°
C11C13F14109.3°109.5°
F15C13F14108.9°109.5°
H1C03H2109.5°109.5°
H1C03CL1110.9°109.5°
H2C03CL1110.9°109.5°
H4C07H5109.5°109.5°
H6C08H7109.5°109.5°
H8C09H9109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
O23N21O22C20175.0°180.0°
O23N21C20C249.2°180.0°
O23N21C20C19166.6°0.3°
O22N21C20C24175.8°0.0°
O22N21C20C198.4°179.7°
N21C20C24C19175.7°179.7°
N21C20C24C25179.2°180.0°
N21C20C19C18178.6°179.7°
N21C20C19H121.4°0.2°
N21C20C24H130.8°0.3°
C20C24C25H13180.0°179.7°
C24C20C19C182.9°0.0°
C20C24C25C170.7°0.6°
C24C20C19H12177.2°179.9°
C20C24C25H14179.3°180.0°
C19C20C24C253.5°0.3°
C20C19C18H12180.0°180.0°
C20C19C18C170.6°0.0°
C20C19C18H11179.4°180.0°
C19C20C24H13176.5°180.0°
C24C25C17H14180.0°179.4°
C24C25C17C182.7°0.6°
C24C25C17N06177.8°179.7°
C19C18C17C253.4°0.3°
C19C18C17H11180.0°180.0°
C19C18C17N06178.9°180.0°
C25C17C18N06175.6°179.7°
C25C17N06C04116.3°67.5°
C25C17N06C0777.7°112.5°
C25C17C18H11176.6°179.7°
C17C25C24H13179.3°179.7°
C03C04N06C1712.5°5.3°
C03C04N06O05175.5°180.0°
C03C04N06C07178.9°174.8°
C04C03H1H2122.7°120.0°
C04C03H1CL1114.6°119.9°
C04C03H2CL1114.6°120.0°
C18C17N06C0468.4°112.8°
C18C17N06C0797.5°67.2°
C17C18C19H12179.4°179.9°
C18C17C25H14177.3°180.0°
C17N06C04C07166.4°180.0°
C17N06C04O05172.0°174.8°
C17N06C07C0847.4°90.0°
C17N06C07H472.7°30.0°
C17N06C07H5167.5°150.0°
N06C17C18H111.1°0.0°
N06C17C25H142.2°0.3°
C04N06C07C08117.9°90.0°
N06C04C03H158.4°54.9°
N06C04C03H263.5°65.2°
C04N06C07H4122.0°150.0°
C04N06C07H52.1°30.0°
N06C04C03CL1177.4°174.9°
O05C04N06C075.6°5.2°
O05C04C03H1116.8°125.1°
O05C04C03H2121.3°114.8°
O05C04C03CL12.3°5.2°
N06C07C08H4120.1°120.0°
N06C07C08H5120.1°120.0°
N06C07C08C09168.5°180.0°
N06C07H4H5119.8°120.0°
N06C07C08H647.9°60.0°
N06C07C08H770.8°60.0°
C07C08C09H6120.7°120.0°
C07C08C09H7120.7°120.0°
C07C08C09N10178.0°180.0°
C08C07H4H5119.8°120.0°
C07C08H6H7117.9°120.0°
C07C08C09H862.5°60.0°
C07C08C09H958.4°60.0°
C08C09N10H8119.6°119.9°
C08C09N10H9119.5°120.0°
C08C09N10C1165.1°180.0°
C09C08C07H471.4°60.0°
C09C08C07H548.4°60.0°
C09C08H6H7117.9°120.0°
C08C09H8H9121.3°120.0°
C08C09N10H10114.9°0.0°
F16C13C11O1247.8°120.0°
F16C13C11N10136.1°60.0°
F16C13C11F15120.1°119.9°
F16C13C11F14114.4°120.0°
F16C13F15F14114.1°120.0°
O12C11N10C093.8°0.1°
O12C11N10C13175.2°180.0°
O12C11C13F15167.9°120.0°
O12C11C13F1466.6°0.0°
O12C11N10H10176.2°180.0°
C09N10C11H10180.0°180.0°
C09N10C11C13179.0°180.0°
N10C09C08H657.3°60.0°
N10C09C08H761.3°60.0°
N10C09H8H9121.3°120.0°
N10C11C13F1516.0°60.0°
N10C11C13F14109.5°180.0°
C11N10C09H8175.4°60.1°
C11N10C09H954.4°60.0°
C11C13F15F14125.7°120.0°
C13C11N10H101.0°0.0°
H1C03H2CL1122.7°120.0°
H4C07C08H6167.9°180.0°
H4C07C08H749.3°60.0°
H5C07C08H672.2°60.0°
H5C07C08H7169.1°180.0°
H6C08C09H8176.8°180.0°
H6C08C09H962.3°60.0°
H7C08C09H858.2°59.9°
H7C08C09H9179.1°NaN°
H8C09N10H104.7°120.0°
H9C09N10H10125.6°120.0°
H11C18C19H120.6°0.0°
H13C24C25H140.7°0.3°

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PDB entries from 2024-09-11

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