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KE7

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C6N2sing1.37Å1.33ÅAromatic
C6C7doub1.34Å1.32ÅAromatic
CL1C7sing1.74Å1.74Å
N2C5sing1.37Å1.33ÅAromatic
C7C4sing1.46Å1.38ÅAromatic
C5C4doub1.41Å1.38ÅAromatic
C5N3sing1.33Å1.33ÅAromatic
C4C2sing1.40Å1.39ÅAromatic
N3C1doub1.32Å1.35ÅAromatic
C2O1sing1.35Å1.35Å
C2N1doub1.33Å1.34ÅAromatic
O1C3sing1.43Å1.42Å
C12C3sing1.53Å1.52Å
C12C11sing1.53Å1.52Å
C1N1sing1.33Å1.34ÅAromatic
C1N4sing1.39Å1.33Å
O2C10sing1.43Å1.42Å
C3C8sing1.53Å1.52Å
C8C9sing1.53Å1.53Å
C11C10sing1.53Å1.53Å
N4C14sing1.39Å1.34Å
C10C9sing1.53Å1.52Å
C10C13sing1.53Å1.53Å
C15C14doub1.39Å1.39ÅAromatic
C15C16sing1.38Å1.39ÅAromatic
C14C19sing1.40Å1.39ÅAromatic
C16C17doub1.40Å1.40ÅAromatic
O4C19sing1.36Å1.36Å
O4C23sing1.43Å1.42Å
C19C18doub1.38Å1.39ÅAromatic
C24C23sing1.53Å1.53Å
F2C25sing1.40Å1.34Å
C17C18sing1.40Å1.39ÅAromatic
C17C20sing1.48Å1.54Å
C23C25sing1.53Å1.52Å
C22N5sing1.47Å1.47Å
C25F3sing1.40Å1.33Å
C25F1sing1.40Å1.32Å
C20N5sing1.35Å1.34Å
C20O3doub1.22Å1.23Å
N5C21sing1.46Å1.46Å
C3H1sing1.09Å1.10Å
C6H2sing1.08Å1.08Å
N2H3sing0.97Å1.00Å
C8H4sing1.09Å1.10Å
C8H5sing1.09Å1.10Å
C9H6sing1.09Å1.10Å
C9H7sing1.09Å1.10Å
C11H8sing1.09Å1.10Å
C11H9sing1.09Å1.10Å
C12H10sing1.09Å1.10Å
C12H11sing1.09Å1.10Å
C13H12sing1.09Å1.10Å
C13H13sing1.09Å1.10Å
C13H14sing1.09Å1.10Å
C15H15sing1.08Å1.08Å
O2H16sing0.97Å0.95Å
N4H17sing0.97Å1.00Å
C16H18sing1.08Å1.08Å
C22H19sing1.09Å1.10Å
C22H20sing1.09Å1.10Å
C22H21sing1.09Å1.10Å
C21H22sing1.09Å1.10Å
C21H23sing1.09Å1.10Å
C21H24sing1.09Å1.10Å
C18H25sing1.08Å1.08Å
C23H26sing1.09Å1.10Å
C24H27sing1.09Å1.10Å
C24H28sing1.09Å1.10Å
C24H29sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N2C6C7108.6°109.8°
C6N2C5109.5°110.0°
N2C6H2125.7°125.1°
C6N2H3125.2°125.1°
C6C7CL1124.9°126.6°
C6C7C4108.5°106.8°
C7C6H2125.7°125.1°
CL1C7C4126.7°126.6°
N2C5C4107.9°107.2°
N2C5N3132.6°134.2°
C5N2H3125.3°125.0°
C7C4C5105.5°106.2°
C7C4C2135.2°134.9°
C4C5N3119.5°118.6°
C5C4C2119.3°118.8°
C5N3C1120.4°120.6°
C4C2O1120.1°120.7°
C4C2N1119.1°118.4°
N3C1N1121.0°122.5°
N3C1N4119.0°118.7°
O1C2N1120.8°120.8°
C2O1C3113.9°117.0°
C2N1C1120.7°121.0°
O1C3C12106.2°109.5°
O1C3C8104.3°109.5°
O1C3H1113.5°109.5°
C3C12C11111.1°109.5°
C12C3C8108.5°109.5°
C12C3H1111.9°109.4°
C3C12H10109.1°109.5°
C3C12H11109.1°109.4°
C12C11C10112.0°109.5°
C12C11H8108.8°109.5°
C12C11H9108.9°109.5°
C11C12H10109.1°109.5°
C11C12H11109.1°109.5°
N1C1N4120.1°118.8°
C1N4C14123.8°120.0°
C1N4H17118.1°120.0°
O2C10C11108.0°109.5°
O2C10C9109.4°109.5°
O2C10C13110.7°109.5°
C10O2H16109.5°114.0°
C3C8C9112.3°109.5°
C8C3H1111.9°109.5°
C3C8H4108.7°109.5°
C3C8H5108.8°109.5°
C8C9C10112.2°109.5°
C9C8H4108.8°109.5°
C9C8H5108.8°109.5°
C8C9H6108.8°109.5°
C8C9H7108.8°109.4°
C11C10C9109.4°109.4°
C11C10C13109.9°109.4°
C10C11H8108.8°109.4°
C10C11H9108.8°109.5°
N4C14C15122.1°119.9°
N4C14C19117.9°120.0°
C14N4H17118.1°120.0°
C9C10C13109.4°109.5°
C10C9H6108.8°109.5°
C10C9H7108.8°109.5°
C10C13H12109.5°109.5°
C10C13H13109.5°109.4°
C10C13H14109.5°109.4°
C14C15C16119.3°120.1°
C15C14C19120.0°120.1°
C14C15H15120.4°120.0°
C15C16C17120.9°120.0°
C16C15H15120.4°119.9°
C15C16H18119.5°120.0°
C14C19O4116.3°120.0°
C14C19C18120.8°120.0°
C16C17C18119.5°119.9°
C16C17C20121.0°120.1°
C17C16H18119.5°120.0°
C19O4C23119.7°117.0°
O4C19C18122.9°120.0°
O4C23C24104.7°109.5°
O4C23C25107.1°109.5°
O4C23H26113.3°109.5°
C19C18C17119.5°119.9°
C19C18H25120.2°120.1°
C24C23C25108.1°109.4°
C24C23H26111.5°109.5°
C23C24H27109.5°109.5°
C23C24H28109.5°109.4°
C23C24H29109.5°109.5°
F2C25C23109.7°109.5°
F2C25F3110.7°109.5°
F2C25F1109.1°109.5°
C18C17C20119.5°120.1°
C17C18H25120.2°120.0°
C17C20N5117.8°120.0°
C17C20O3119.2°120.0°
C23C25F3109.2°109.5°
C23C25F1108.3°109.5°
C25C23H26111.7°109.4°
C22N5C20120.5°120.0°
C22N5C21120.7°120.0°
N5C22H19109.5°109.4°
N5C22H20109.5°109.5°
N5C22H21109.5°109.5°
F3C25F1109.8°109.5°
N5C20O3123.0°120.0°
C20N5C21118.9°120.0°
N5C21H22109.5°109.5°
N5C21H23109.5°109.5°
N5C21H24109.5°109.5°
H4C8H5109.5°109.4°
H6C9H7109.5°109.5°
H8C11H9109.5°109.5°
H10C12H11109.5°109.5°
H12C13H13109.5°109.5°
H12C13H14109.5°109.4°
H13C13H14109.5°109.5°
H19C22H20109.5°109.5°
H19C22H21109.4°109.4°
H20C22H21109.5°109.4°
H22C21H23109.5°109.5°
H22C21H24109.5°109.5°
H23C21H24109.4°109.4°
H27C24H28109.5°109.5°
H27C24H29109.5°109.5°
H28C24H29109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N2C6C7H2180.0°179.6°
N2C6C7CL1179.7°180.0°
C6N2C5H3180.0°179.6°
N2C6C7C40.1°0.6°
C6N2C5C40.6°0.0°
C6N2C5N3179.7°179.1°
C6C7CL1C4179.8°179.2°
C7C6N2C50.3°0.4°
C6C7C4C50.4°0.6°
C6C7C4C2179.5°179.8°
C7C6N2H3179.7°179.9°
CL1C7C4C5179.4°180.0°
CL1C7C4C20.7°0.5°
CL1C7C6H20.3°0.5°
N2C5C4C70.6°0.4°
N2C5C4N3179.2°179.3°
N2C5C4C2179.3°180.0°
N2C5N3C1178.9°179.5°
C5N2C6H2179.7°180.0°
C7C4C5C2179.9°179.6°
C7C4C5N3179.9°179.6°
C7C4C2O10.6°0.0°
C7C4C2N1179.8°180.0°
C4C7C6H2179.9°179.8°
C4C5N3C10.1°0.5°
C5C4C2O1179.6°179.5°
C5C4C2N10.3°0.5°
C4C5N2H3179.4°179.7°
N3C5C4C20.0°0.7°
C5N3C1N10.6°0.1°
C5N3C1N4179.8°179.8°
N3C5N2H30.3°0.6°
C4C2O1N1179.2°180.0°
C4C2O1C3171.6°174.9°
C4C2N1C10.8°0.0°
N3C1N1C20.9°0.3°
N3C1N1N4179.3°179.7°
N3C1N4C14174.4°5.8°
N3C1N4H175.6°174.1°
C2O1C3C1297.6°92.2°
O1C2N1C1180.0°180.0°
C2O1C3C8147.9°147.8°
C2O1C3H125.9°27.8°
N1C2O1C39.2°5.1°
C2N1C1N4179.8°180.0°
O1C3C12C8111.6°120.1°
O1C3C12H1124.4°120.0°
O1C3C12C11169.7°180.0°
O1C3C8H1123.1°120.0°
O1C3C8C9169.7°180.0°
O1C3C8H449.3°60.0°
O1C3C8H569.8°60.0°
O1C3C12H1070.0°59.9°
O1C3C12H1149.5°60.0°
C3C12C11H10120.3°120.1°
C3C12C11H11120.2°120.0°
C12C3C8H1124.0°119.9°
C12C3C8C956.8°60.0°
C3C12C11C1059.0°60.0°
C12C3C8H463.6°60.1°
C12C3C8H5177.3°180.0°
C3C12C11H861.4°179.9°
C3C12C11H9179.3°60.0°
C3C12H10H11119.2°119.9°
C12C11C10O264.1°60.0°
C11C12C3C858.2°60.0°
C12C11C10H8120.3°120.0°
C12C11C10H9120.4°120.0°
C12C11C10C954.9°60.0°
C12C11C10C13175.0°180.0°
C11C12C3H165.9°60.0°
C12C11H8H9118.9°120.0°
C11C12H10H11119.3°120.0°
N1C1N4C146.4°174.4°
N1C1N4H17173.7°5.6°
C1N4C14H17180.0°180.0°
C1N4C14C1540.0°42.3°
C1N4C14C19140.9°137.4°
O2C10C9C865.2°60.0°
O2C10C11C9119.0°120.0°
O2C10C11C13120.9°120.0°
O2C10C9C13121.4°120.0°
O2C10C9H655.2°60.0°
O2C10C9H7174.4°180.0°
O2C10C11H8175.5°60.0°
O2C10C11H956.3°180.0°
O2C10C13H12180.0°175.1°
O2C10C13H1360.0°64.8°
O2C10C13H1460.0°55.2°
C3C8C9H4120.4°120.0°
C3C8C9H5120.4°120.0°
C3C8C9C1055.8°60.0°
C3C8H4H5118.7°120.0°
C3C8C9H6176.2°180.0°
C3C8C9H764.6°60.0°
C8C3C12H10178.4°180.0°
C8C3C12H1162.1°60.0°
C8C9C10C1153.0°60.0°
C8C9C10H6120.4°120.0°
C8C9C10H7120.4°120.0°
C8C9C10C13173.4°180.0°
C9C8C3H167.2°60.0°
C9C8H4H5118.7°120.0°
C8C9H6H7118.8°119.9°
C11C10C9C13120.5°119.9°
C11C10C9H6173.4°180.0°
C11C10C9H767.4°60.0°
C10C11H8H9118.9°120.0°
C10C11C12H10179.2°180.0°
C10C11C12H1161.3°60.0°
C11C10C13H1260.7°64.8°
C11C10C13H1359.3°55.2°
C11C10C13H14179.3°175.2°
C11C10O2H16180.0°59.9°
N4C14C15C19179.1°179.7°
N4C14C15C16179.2°179.7°
N4C14C19O41.5°0.3°
N4C14C19C18179.6°179.7°
N4C14C15H150.8°0.3°
C10C9C8H464.7°60.0°
C10C9C8H5176.2°179.9°
C10C9H6H7118.7°120.1°
C9C10C11H865.5°180.0°
C9C10C11H9175.2°60.0°
C9C10C13H1259.4°55.1°
C9C10C13H13179.4°175.2°
C9C10C13H1460.6°64.9°
C9C10O2H1661.0°179.9°
C13C10C9H666.2°60.1°
C13C10C9H753.0°60.0°
C13C10C11H854.6°60.1°
C13C10C11H964.6°60.0°
C10C13H12H13120.0°120.0°
C10C13H12H14120.0°120.0°
C10C13H13H14120.0°119.9°
C13C10O2H1659.6°60.1°
C14C15C16H15180.0°180.0°
C14C15C16C170.6°0.0°
C15C14C19O4179.4°180.0°
C15C14C19C180.5°0.0°
C15C14N4H17140.0°137.7°
C14C15C16H18179.4°180.0°
C16C15C14C190.1°0.0°
C15C16C17H18180.0°180.0°
C15C16C17C180.8°0.0°
C15C16C17C20179.8°180.0°
C14C19O4C18178.9°180.0°
C14C19O4C23168.3°174.3°
C14C19C18C170.2°0.0°
C19C14C15H15179.9°180.0°
C19C14N4H1739.1°42.6°
C14C19C18H25179.8°180.0°
C16C17C18C190.4°0.0°
C16C17C18C20179.0°180.0°
C16C17C20N544.7°38.6°
C16C17C20O3133.4°141.4°
C17C16C15H15179.4°180.0°
C16C17C18H25179.6°180.0°
C19O4C23C24144.3°84.9°
O4C19C18C17179.1°180.0°
C19O4C23C25101.0°155.2°
O4C19C18H250.9°0.0°
C19O4C23H2622.6°35.2°
C23O4C19C1812.8°5.7°
O4C23C24C25113.9°120.0°
O4C23C24H26122.9°120.0°
O4C23C25F255.8°60.0°
O4C23C25H26124.6°120.0°
O4C23C25F365.7°60.0°
O4C23C25F1174.8°180.0°
O4C23C24H27180.0°59.9°
O4C23C24H2860.0°60.0°
O4C23C24H2960.0°180.0°
C19C18C17H25180.0°180.0°
C19C18C17C20179.4°180.0°
C24C23C25F256.5°180.0°
C24C23C25H26123.1°120.0°
C24C23C25F3178.0°60.0°
C24C23C25F162.5°60.0°
C23C24H27H28120.0°119.9°
C23C24H27H29120.0°120.1°
C23C24H28H29120.0°120.0°
F2C25C23F3121.5°120.0°
F2C25C23F1119.0°120.0°
F2C25F3F1120.6°120.0°
F2C25C23H26179.5°60.0°
C18C17C20N5136.3°141.3°
C18C17C20O345.5°38.6°
C18C17C16H18179.2°180.0°
C17C20N5C221.4°8.0°
C17C20N5O3178.0°179.9°
C17C20N5C21178.5°172.0°
C20C17C16H180.2°0.0°
C20C17C18H250.6°0.0°
C23C25F3F1118.6°120.0°
C25C23C24H2766.1°60.0°
C25C23C24H2853.9°180.0°
C25C23C24H29174.0°60.0°
C22N5C20C21179.9°180.0°
C22N5C20O3179.4°172.1°
N5C22H19H20120.0°120.1°
N5C22H19H21120.0°120.0°
N5C22H20H21120.0°120.0°
C22N5C21H22180.0°180.0°
C22N5C21H2360.0°60.0°
C22N5C21H2460.0°60.0°
F3C25C23H2659.0°180.0°
F1C25C23H2660.6°60.0°
C20N5C22H19180.0°87.6°
C20N5C22H2060.0°152.4°
C20N5C22H2160.0°32.3°
C20N5C21H220.2°0.0°
C20N5C21H23119.9°120.1°
C20N5C21H24120.2°120.0°
O3C20N5C210.5°7.9°
C21N5C22H190.2°92.4°
C21N5C22H20119.9°27.7°
C21N5C22H21120.1°147.7°
N5C21H22H23120.0°120.0°
N5C21H22H24120.0°120.0°
N5C21H23H24120.0°120.0°
H1C3C8H4172.4°180.0°
H1C3C8H553.3°60.1°
H1C3C12H1054.4°60.1°
H1C3C12H11173.9°180.0°
H2C6N2H30.3°0.4°
H4C8C9H655.7°60.0°
H4C8C9H7175.0°179.9°
H5C8C9H663.4°59.9°
H5C8C9H755.8°60.0°
H8C11C12H1058.9°60.0°
H8C11C12H11178.4°60.0°
H9C11C12H1060.4°60.0°
H9C11C12H1159.1°180.0°
H12C13H13H14120.0°120.0°
H15C15C16H180.6°0.1°
H19C22H20H21119.9°120.0°
H22C21H23H24120.0°120.0°
H26C23C24H2757.1°180.0°
H26C23C24H28177.1°60.0°
H26C23C24H2962.9°59.9°
H27C24H28H29120.0°120.0°

224931

PDB entries from 2024-09-11

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