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MB5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CLC10sing1.74Å1.74Å
C10C9doub1.39Å1.38ÅAromatic
C10C11sing1.39Å1.38ÅAromatic
C9C8sing1.37Å1.38ÅAromatic
C11C12doub1.39Å1.39ÅAromatic
C8C7doub1.40Å1.39ÅAromatic
C12C7sing1.42Å1.41ÅAromatic
C12N1sing1.36Å1.39ÅAromatic
C7C6sing1.45Å1.44ÅAromatic
N1C13sing1.37Å1.38ÅAromatic
C6C13doub1.35Å1.37ÅAromatic
C6C5sing1.51Å1.50Å
C13C14sing1.51Å1.51Å
C5C4sing1.52Å1.53Å
C15C14sing1.53Å1.54Å
C14C16sing1.53Å1.54Å
C14C3sing1.54Å1.56Å
C17C4sing1.53Å1.54Å
C17N2sing1.46Å1.46Å
C4C3sing1.54Å1.57Å
C4Nsing1.48Å1.47Å
C3C2sing1.54Å1.54Å
N2C18sing1.47Å1.47Å
N2C1sing1.48Å1.48Å
NCsing1.38Å1.34Å
C18C19sing1.55Å1.52Å
C2C1sing1.52Å1.54Å
C1Csing1.52Å1.53Å
C1C20sing1.52Å1.54Å
COdoub1.21Å1.22Å
C19C20sing1.55Å1.53Å
NH1sing0.97Å1.00Å
C11H2sing1.08Å1.08Å
C15H3sing1.09Å1.10Å
C15H4sing1.09Å1.10Å
C15H5sing1.09Å1.10Å
C16H6sing1.09Å1.10Å
C16H7sing1.09Å1.10Å
C16H8sing1.09Å1.10Å
C17H9sing1.09Å1.10Å
C17H10sing1.09Å1.10Å
C18H11sing1.09Å1.10Å
C18H12sing1.09Å1.10Å
C19H13sing1.09Å1.10Å
C19H14sing1.09Å1.10Å
C2H15sing1.09Å1.10Å
C2H16sing1.09Å1.10Å
C20H17sing1.09Å1.10Å
C20H18sing1.09Å1.10Å
C3H19sing1.09Å1.10Å
C5H20sing1.09Å1.10Å
C5H21sing1.09Å1.10Å
C8H22sing1.08Å1.08Å
C9H23sing1.08Å1.08Å
N1H24sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CLC10C9119.1°118.9°
CLC10C11118.9°118.9°
C9C10C11122.1°122.3°
C10C9C8119.5°122.0°
C10C9H23120.3°119.0°
C10C11C12117.8°116.9°
C10C11H2121.1°121.6°
C9C8C7120.5°116.9°
C9C8H22119.7°121.5°
C8C9H23120.3°119.0°
C11C12C7121.6°120.6°
C11C12N1130.7°132.1°
C12C11H2121.1°121.5°
C8C7C12118.6°121.3°
C8C7C6134.6°132.7°
C7C8H22119.8°121.6°
C7C12N1107.8°107.3°
C12C7C6106.8°105.9°
C12N1C13108.5°109.8°
C12N1H24125.7°125.1°
C7C6C13107.1°107.2°
C7C6C5129.3°128.6°
N1C13C6109.8°109.7°
N1C13C14125.1°126.3°
C13N1H24125.8°125.1°
C13C6C5123.5°124.2°
C6C13C14125.0°124.0°
C6C5C4108.5°109.2°
C6C5H20109.7°109.5°
C6C5H21109.7°109.6°
C13C14C15107.1°109.5°
C13C14C16109.1°109.5°
C13C14C3110.3°109.3°
C5C4C17115.6°111.0°
C5C4C3109.2°110.9°
C5C4N110.4°109.2°
C4C5H20109.7°109.5°
C4C5H21109.7°109.5°
C15C14C16107.6°109.5°
C15C14C3111.9°109.5°
C14C15H3109.5°109.5°
C14C15H4109.4°109.5°
C14C15H5109.5°109.5°
C16C14C3110.6°109.5°
C14C16H6109.5°109.5°
C14C16H7109.5°109.5°
C14C16H8109.5°109.5°
C14C3C4118.0°109.2°
C14C3C2113.7°107.4°
C14C3H19104.3°110.1°
C4C17N2108.4°108.7°
C17C4C3110.5°109.6°
C17C4N105.4°107.5°
C4C17H9109.7°109.6°
C4C17H10109.7°109.6°
C17N2C18117.1°115.8°
C17N2C1114.6°111.3°
N2C17H9109.7°109.6°
N2C17H10109.7°109.6°
C3C4N105.1°108.6°
C4C3C2110.4°109.0°
C4C3H19104.3°110.9°
C4NC116.0°111.8°
C4NH1122.0°124.1°
C3C2C1108.2°107.3°
C3C2H15109.8°109.9°
C3C2H16109.8°109.9°
C2C3H19104.5°110.2°
C18N2C1101.3°103.7°
N2C18C19103.9°104.0°
N2C18H11110.8°110.5°
N2C18H12110.8°110.5°
N2C1C2107.8°108.4°
N2C1C107.0°109.1°
N2C1C20104.2°104.8°
NCC1112.6°112.1°
NCO123.4°124.0°
CNH1122.0°124.1°
C18C19C20104.5°105.0°
C19C18H11110.8°110.5°
C19C18H12110.9°110.6°
C18C19H13110.7°110.3°
C18C19H14110.7°110.3°
C2C1C106.6°108.9°
C2C1C20116.7°115.1°
C1C2H15109.8°109.9°
C1C2H16109.8°109.9°
CC1C20113.9°110.5°
C1CO123.9°123.9°
C1C20C19103.9°104.2°
C1C20H17110.8°110.5°
C1C20H18110.8°110.5°
C20C19H13110.7°110.4°
C20C19H14110.7°110.4°
C19C20H17110.8°110.4°
C19C20H18110.9°110.5°
H3C15H4109.5°109.5°
H3C15H5109.5°109.5°
H4C15H5109.5°109.4°
H6C16H7109.5°109.4°
H6C16H8109.5°109.5°
H7C16H8109.5°109.4°
H9C17H10109.5°109.7°
H11C18H12109.5°110.5°
H13C19H14109.5°110.3°
H15C2H16109.5°109.9°
H17C20H18109.5°110.6°
H20C5H21109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CLC10C9C11179.7°180.0°
CLC10C9C8179.8°179.9°
CLC10C11C12179.5°180.0°
CLC10C11H20.5°0.0°
CLC10C9H230.2°0.0°
C10C9C8H23180.0°180.0°
C9C10C11C120.2°0.0°
C10C9C8C70.2°0.1°
C9C10C11H2179.7°180.0°
C10C9C8H22179.8°179.9°
C11C10C9C80.1°0.1°
C10C11C12H2180.0°180.0°
C10C11C12C70.5°0.1°
C10C11C12N1178.3°179.9°
C11C10C9H23179.9°179.9°
C9C8C7H22180.0°180.0°
C9C8C7C120.0°0.0°
C9C8C7C6178.7°180.0°
C11C12C7C80.4°0.1°
C11C12C7N1179.0°180.0°
C11C12C7C6179.4°179.9°
C11C12N1C13178.7°179.9°
C11C12N1H241.2°0.0°
C8C7C12C6179.0°180.0°
C8C7C12N1178.6°179.8°
C8C7C6C13177.9°179.9°
C8C7C6C53.3°0.2°
C7C8C9H23179.8°180.0°
C7C12N1C130.2°0.2°
C12C7C6C130.8°0.1°
C12C7C6C5178.0°179.8°
C7C12C11H2179.5°179.9°
C12C7C8H22180.0°180.0°
C7C12N1H24179.9°179.9°
N1C12C7C60.4°0.1°
C12N1C13H24180.0°179.9°
C12N1C13C60.7°0.1°
C12N1C13C14177.1°179.8°
N1C12C11H21.8°0.1°
C7C6C13N10.9°0.0°
C7C6C13C5178.9°179.9°
C7C6C13C14176.9°179.9°
C7C6C5C4145.7°164.6°
C7C6C5H2094.5°44.7°
C7C6C5H2125.8°75.4°
C6C7C8H221.3°0.0°
N1C13C6C14177.9°179.9°
N1C13C6C5178.0°179.9°
N1C13C14C1550.9°77.1°
N1C13C14C1665.4°42.9°
N1C13C14C3172.9°162.9°
C13C6C5C435.7°15.2°
C6C13C14C15126.7°102.8°
C6C13C14C16117.1°137.1°
C6C13C14C34.6°17.2°
C13C6C5H2084.2°135.1°
C13C6C5H21155.5°104.7°
C6C13N1H24179.3°180.0°
C5C6C13C144.2°0.0°
C6C5C4H20119.9°119.9°
C6C5C4H21119.8°120.0°
C6C5C4C1770.0°74.2°
C6C5C4C355.3°47.8°
C6C5C4N170.4°167.5°
C6C5H20H21120.5°120.1°
C13C14C15C16117.2°120.1°
C13C14C15C3121.1°119.9°
C13C14C16C3121.5°119.8°
C13C14C3C419.9°48.8°
C13C14C3C2151.5°166.8°
C13C14C15H3180.0°98.6°
C13C14C15H460.0°141.3°
C13C14C15H560.0°21.4°
C13C14C16H6180.0°60.0°
C13C14C16H760.0°180.0°
C13C14C16H860.0°60.1°
C13C14C3H1995.2°73.2°
C14C13N1H242.8°0.1°
C5C4C3C1451.0°67.5°
C5C4C17C3124.6°122.8°
C5C4C17N122.2°119.4°
C5C4C17N2178.3°176.2°
C5C4C3N118.4°120.0°
C5C4C3C2175.8°175.5°
C5C4NC176.3°175.5°
C5C4NH13.7°4.2°
C5C4C17H961.9°64.1°
C5C4C17H1058.5°56.4°
C5C4C3H1964.1°54.0°
C4C5H20H21120.5°120.1°
C15C14C16C3122.6°120.1°
C15C14C3C499.3°71.2°
C15C14C3C232.3°46.8°
C14C15H3H4120.0°120.1°
C14C15H3H5120.0°120.0°
C14C15H4H5120.0°120.0°
C15C14C16H664.1°179.9°
C15C14C16H755.9°59.9°
C15C14C16H8175.9°60.0°
C15C14C3H19145.6°166.8°
C16C14C3C4140.6°168.7°
C16C14C3C287.7°73.3°
C16C14C15H362.8°21.4°
C16C14C15H4177.2°98.6°
C16C14C15H557.2°141.5°
C14C16H6H7120.0°120.0°
C14C16H6H8120.0°120.0°
C14C16H7H8120.0°120.0°
C16C14C3H1925.6°46.7°
C14C3C4C1777.2°55.3°
C14C3C4C2133.1°117.0°
C14C3C4H19115.1°121.5°
C14C3C4N169.5°172.5°
C14C3C2H19113.1°119.9°
C14C3C2C1136.6°113.1°
C3C14C15H359.0°141.5°
C3C14C15H461.0°21.5°
C3C14C15H5179.0°98.5°
C3C14C16H658.5°59.8°
C3C14C16H7178.5°60.2°
C3C14C16H861.5°179.9°
C14C3C2H1516.7°127.4°
C14C3C2H16103.6°6.4°
C4C17N2H9119.8°119.8°
C4C17N2H10119.8°119.8°
C17C4C3N113.3°117.2°
C17C4C3C255.9°61.7°
C4C17N2C18124.3°128.5°
C4C17N2C15.9°10.4°
C17C4NC58.2°55.0°
C17C4NH1121.8°124.7°
C4C17H9H10120.5°120.4°
C17C4C3H19167.7°176.8°
C17C4C5H20170.1°45.7°
C17C4C5H2149.8°165.9°
N2C17C4C353.6°53.4°
N2C17C4N59.5°64.4°
C17N2C18C1125.4°122.2°
C17N2C18C19171.8°162.9°
C17N2C1C264.6°69.3°
C17N2C1C49.7°49.1°
C17N2C1C20170.7°167.4°
N2C17H9H10120.5°120.4°
C17N2C18H1152.7°78.4°
C17N2C18H1269.1°44.2°
C4C3C2H19111.6°121.9°
C3C4NC58.6°63.5°
C4C3C2C11.3°5.1°
C3C4NH1121.4°116.8°
C3C4C17H9173.5°173.2°
C3C4C17H1066.2°66.4°
C4C3C2H15118.5°114.4°
C4C3C2H16121.1°124.6°
C3C4C5H2064.6°167.7°
C3C4C5H21175.1°72.2°
NC4C3C257.4°55.5°
C4NCH1180.0°179.7°
C4NCC10.3°6.0°
C4NCO179.6°174.0°
NC4C17H960.4°55.3°
NC4C17H10179.3°175.8°
NC4C3H1954.4°66.0°
NC4C5H2050.5°72.6°
NC4C5H2169.8°47.5°
C3C2C1N259.2°58.0°
C3C2C1H15119.8°119.4°
C3C2C1H16119.8°119.5°
C3C2C1C55.4°60.5°
C3C2C1C20176.0°174.9°
C3C2H15H16120.6°121.1°
N2C18C19H11119.1°118.7°
N2C18C19H12119.1°118.6°
C18N2C1C2168.4°165.5°
C18N2C1C77.3°76.1°
C18N2C1C2043.7°42.2°
N2C18C19C2031.0°23.7°
C18N2C17H94.5°8.7°
C18N2C17H10115.9°111.7°
N2C18H11H12122.6°122.6°
N2C18C19H13150.2°142.7°
N2C18C19H1488.2°95.2°
N2C1CN54.6°60.8°
C1N2C18C1946.4°40.6°
N2C1C2C114.6°118.5°
N2C1C2C20116.8°116.9°
N2C1CC20114.6°114.7°
N2C1CO125.4°119.2°
N2C1C20C1924.2°26.2°
C1N2C17H9113.9°109.4°
C1N2C17H10125.8°130.2°
C1N2C18H1172.7°159.3°
C1N2C18H12165.6°78.0°
N2C1C2H1560.6°177.4°
N2C1C2H16179.0°61.6°
N2C1C20H1794.9°92.4°
N2C1C20H18143.3°144.9°
NCC1C260.6°57.3°
NCC1O179.9°180.0°
NCC1C20169.3°175.5°
C18C19C20C13.9°1.6°
C18C19C20H13119.2°118.9°
C18C19C20H14119.2°118.9°
C19C18H11H12122.6°122.8°
C18C19H13H14122.3°122.2°
C18C19C20H17123.0°117.1°
C18C19C20H18115.2°120.3°
C2C1CC20130.2°127.3°
C2C1CO119.4°122.7°
C2C1C20C19143.0°145.1°
C1C2H15H16120.6°121.1°
C2C1C20H1723.8°26.5°
C2C1C20H1897.9°96.2°
C1C2C3H19110.3°127.0°
CC1C20C1992.1°91.1°
C1CNH1179.7°174.3°
CC1C2H15175.3°58.9°
CC1C2H1664.4°179.9°
CC1C20H17148.8°150.2°
CC1C20H1827.1°27.6°
C20C1CO10.8°4.5°
C1C20C19H17119.1°118.7°
C1C20C19H18119.1°118.7°
C1C20C19H13123.1°117.3°
C1C20C19H14115.3°120.5°
C20C1C2H1556.2°65.7°
C20C1C2H1664.2°55.3°
C1C20H17H18122.6°122.6°
OCNH10.3°5.7°
C20C19C18H1188.1°142.4°
C20C19C18H12150.1°94.9°
C20C19H13H14122.3°122.3°
C19C20H17H18122.6°122.6°
H3C15H4H5120.0°119.9°
H6C16H7H8120.0°120.0°
H11C18C19H1331.1°98.7°
H11C18C19H14152.7°23.5°
H12C18C19H1390.7°24.0°
H12C18C19H1430.9°146.2°
H13C19C20H17117.8°124.0°
H13C19C20H184.0°1.4°
H14C19C20H173.8°1.8°
H14C19C20H18125.6°120.8°
H15C2C3H19129.9°7.5°
H16C2C3H199.5°113.5°
H22C8C9H230.2°0.0°

226262

PDB entries from 2024-10-16

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