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C98

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CLC17sing1.74Å1.73Å
C21C20doub1.38Å1.38ÅAromatic
C21C22sing1.38Å1.38ÅAromatic
C17C18doub1.38Å1.38ÅAromatic
C17C16sing1.39Å1.39ÅAromatic
C20C19sing1.39Å1.39ÅAromatic
C18C13sing1.38Å1.39ÅAromatic
C22C23doub1.38Å1.37ÅAromatic
C19C16sing1.48Å1.49Å
C19C24doub1.39Å1.39ÅAromatic
C23C24sing1.38Å1.38ÅAromatic
C16C15doub1.39Å1.39ÅAromatic
C13C12sing1.51Å1.51Å
C13C14doub1.38Å1.38ÅAromatic
C12N2sing1.47Å1.46Å
C15C14sing1.38Å1.38ÅAromatic
C11N2sing1.47Å1.46Å
C11C10sing1.53Å1.51Å
C9C10sing1.53Å1.51Å
C9N1sing1.46Å1.46Å
N1C8sing1.35Å1.33Å
O3C8doub1.21Å1.23Å
C8C7sing1.51Å1.51Å
C7C6sing1.51Å1.51Å
C6Nsing1.35Å1.35Å
C6O2doub1.21Å1.23Å
NC5sing1.40Å1.41Å
C5C25doub1.39Å1.39ÅAromatic
C5C4sing1.39Å1.39ÅAromatic
C25C1sing1.40Å1.39ÅAromatic
OCdoub1.21Å1.29Å
C4C3doub1.38Å1.38ÅAromatic
C1Csing1.48Å1.49Å
C1C2doub1.40Å1.39ÅAromatic
CO1sing1.35Å1.21Å
C3C2sing1.38Å1.38ÅAromatic
C24H1sing1.08Å1.08Å
C23H2sing1.08Å1.08Å
C22H3sing1.08Å1.08Å
C21H4sing1.08Å1.08Å
C20H5sing1.08Å1.08Å
C15H6sing1.08Å1.08Å
C14H7sing1.08Å1.08Å
C18H8sing1.08Å1.08Å
C12H9sing1.09Å1.10Å
C12H10sing1.09Å1.10Å
N2H11sing1.01Å1.00Å
C11H13sing1.09Å1.10Å
C11H14sing1.09Å1.10Å
C10H15sing1.09Å1.10Å
C10H16sing1.09Å1.10Å
C9H17sing1.09Å1.10Å
C9H18sing1.09Å1.10Å
N1H19sing0.97Å1.00Å
C7H20sing1.09Å1.10Å
C7H21sing1.09Å1.10Å
NH22sing0.97Å1.00Å
C4H23sing1.08Å1.08Å
C3H24sing1.08Å1.08Å
C2H25sing1.08Å1.08Å
C25H26sing1.08Å1.08Å
O1H27sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CLC17C18118.1°120.0°
CLC17C16120.2°120.1°
C20C21C22120.3°120.2°
C21C20C19120.7°119.9°
C20C21H4119.9°119.9°
C21C20H5119.6°120.1°
C21C22C23119.8°120.2°
C21C22H3120.1°119.9°
C22C21H4119.9°119.9°
C18C17C16121.7°119.8°
C17C18C13120.5°120.1°
C17C18H8119.8°119.9°
C17C16C19123.7°120.1°
C17C16C15117.5°119.8°
C20C19C16121.1°120.1°
C20C19C24118.1°119.7°
C19C20H5119.7°120.0°
C18C13C12120.6°119.9°
C18C13C14118.2°120.3°
C13C18H8119.7°119.9°
C22C23C24120.3°120.1°
C22C23H2119.8°119.9°
C23C22H3120.1°119.9°
C16C19C24120.8°120.2°
C19C16C15118.6°120.1°
C19C24C23120.8°119.9°
C19C24H1119.6°120.0°
C23C24H1119.6°120.1°
C24C23H2119.9°120.0°
C16C15C14120.9°119.8°
C16C15H6119.6°120.1°
C12C13C14121.1°119.9°
C13C12N2113.4°109.5°
C13C12H9108.5°109.5°
C13C12H10108.5°109.5°
C13C14C15121.2°120.2°
C13C14H7119.4°119.9°
C12N2C11112.8°111.0°
N2C12H9108.5°109.4°
N2C12H10108.5°109.5°
C12N2H11108.6°111.0°
C14C15H6119.6°120.1°
C15C14H7119.4°119.9°
N2C11C10112.4°109.5°
C11N2H11108.6°111.0°
N2C11H13108.7°109.4°
N2C11H14108.7°109.4°
C11C10C9111.2°109.5°
C10C11H13108.7°109.5°
C10C11H14108.7°109.5°
C11C10H15109.0°109.4°
C11C10H16109.0°109.5°
C10C9N1113.2°109.5°
C9C10H15109.1°109.5°
C9C10H16109.1°109.5°
C10C9H17108.6°109.5°
C10C9H18108.5°109.5°
C9N1C8122.3°120.0°
N1C9H17108.5°109.5°
N1C9H18108.5°109.4°
C9N1H19118.9°120.0°
N1C8O3122.7°120.0°
N1C8C7116.1°120.0°
C8N1H19118.9°120.0°
O3C8C7121.1°120.0°
C8C7C6112.2°109.4°
C8C7H20108.8°109.5°
C8C7H21108.8°109.5°
C7C6N115.1°119.9°
C7C6O2121.0°120.0°
C6C7H20108.8°109.5°
C6C7H21108.8°109.5°
NC6O2123.9°120.0°
C6NC5127.3°120.0°
C6NH22116.4°120.1°
NC5C25120.6°120.0°
NC5C4119.6°120.0°
C5NH22116.3°120.0°
C25C5C4119.7°120.0°
C5C25C1120.4°119.8°
C5C25H26119.8°120.1°
C5C4C3120.0°120.3°
C5C4H23120.0°119.9°
C25C1C120.0°120.1°
C25C1C2119.3°119.8°
C1C25H26119.8°120.1°
OCC1114.7°120.0°
OCO1123.5°120.0°
C4C3C2120.3°120.2°
C3C4H23120.1°119.9°
C4C3H24119.9°119.9°
CC1C2120.5°120.1°
C1CO1121.8°120.0°
C1C2C3120.3°120.0°
C1C2H25119.8°120.0°
CO1H27109.5°117.0°
C2C3H24119.8°119.9°
C3C2H25119.8°120.0°
H9C12H10109.5°109.4°
H13C11H14109.5°109.5°
H15C10H16109.5°109.5°
H17C9H18109.5°109.4°
H20C7H21109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CLC17C18C16177.7°179.7°
CLC17C18C13176.1°179.8°
CLC17C16C1911.1°0.0°
CLC17C16C15174.4°180.0°
CLC17C18H83.9°0.0°
C20C21C22H4180.0°179.5°
C21C20C19H5180.0°179.5°
C20C21C22C230.1°0.2°
C21C20C19C16179.9°179.7°
C21C20C19C240.5°0.5°
C20C21C22H3179.9°179.7°
C22C21C20C190.2°0.5°
C21C22C23H3180.0°180.0°
C21C22C23C240.2°0.1°
C21C22C23H2179.8°180.0°
C22C21C20H5179.8°180.0°
C17C18C13H8180.0°179.8°
C18C17C16C19171.3°179.7°
C18C17C16C153.3°0.3°
C17C18C13C12177.5°180.0°
C17C18C13C140.9°0.6°
C17C16C19C2049.8°50.2°
C16C17C18C131.6°0.6°
C17C16C19C15174.5°180.0°
C17C16C19C24129.8°130.0°
C17C16C15C142.5°0.0°
C17C16C15H6177.5°180.0°
C16C17C18H8178.4°179.7°
C20C19C16C24179.6°179.8°
C20C19C24C230.4°0.2°
C20C19C16C15135.7°129.8°
C20C19C24H1179.6°179.7°
C19C20C21H4179.8°180.0°
C18C13C12C14178.4°179.5°
C18C13C12N2134.2°90.0°
C18C13C14C151.7°0.3°
C18C13C14H7178.3°179.8°
C18C13C12H9105.2°150.0°
C18C13C12H1013.6°30.0°
C22C23C24C190.1°0.1°
C22C23C24H2180.0°180.0°
C22C23C24H1179.9°180.0°
C23C22C21H4179.9°179.7°
C16C19C24C23180.0°180.0°
C19C16C15C14172.3°180.0°
C16C19C24H10.0°0.1°
C16C19C20H50.1°0.2°
C19C16C15H67.7°0.0°
C19C24C23H1180.0°180.0°
C24C19C16C1544.7°50.0°
C19C24C23H2179.9°180.0°
C24C19C20H5179.5°180.0°
C24C23C22H3179.8°180.0°
C16C15C14C130.1°0.0°
C16C15C14H6180.0°180.0°
C16C15C14H7179.9°179.9°
C13C12N2H9120.6°120.0°
C13C12N2H10120.6°120.1°
C12C13C14C15176.8°179.8°
C13C12N2C11147.0°180.0°
C12C13C14H73.2°0.3°
C12C13C18H82.4°0.2°
C13C12H9H10118.2°120.0°
C13C12N2H1126.5°56.0°
C14C13C12N247.4°90.5°
C13C14C15H7180.0°179.9°
C13C14C15H6179.9°180.0°
C14C13C18H8179.1°179.7°
C14C13C12H973.2°29.5°
C14C13C12H10168.0°149.4°
C12N2C11H11120.5°123.9°
C12N2C11C10152.1°180.0°
N2C12H9H10118.2°119.9°
C12N2C11H1331.6°60.0°
C12N2C11H1487.5°59.9°
N2C11C10H13120.4°119.9°
N2C11C10H14120.4°120.0°
N2C11C10C9171.7°180.0°
C11N2C12H992.5°60.0°
C11N2C12H1026.4°59.9°
N2C11H13H14118.7°119.9°
N2C11C10H1551.4°60.0°
N2C11C10H1668.1°60.0°
C11C10C9H15120.3°120.0°
C11C10C9H16120.2°120.0°
C11C10C9N1172.2°179.9°
C10C11N2H1187.5°56.1°
C10C11H13H14118.7°120.1°
C11C10H15H16119.2°120.0°
C11C10C9H1751.6°60.0°
C11C10C9H1867.3°60.0°
C10C9N1H17120.6°120.1°
C10C9N1H18120.6°120.0°
C10C9N1C8139.5°180.0°
C9C10C11H1367.9°60.0°
C9C10C11H1451.3°60.0°
C9C10H15H16119.3°120.0°
C10C9H17H18118.3°120.0°
C10C9N1H1940.5°0.1°
C9N1C8H19180.0°179.9°
C9N1C8O311.7°0.1°
C9N1C8C7166.4°179.9°
N1C9C10H1567.6°60.0°
N1C9C10H1651.9°60.1°
N1C9H17H18118.2°119.9°
N1C8O3C7178.0°180.0°
N1C8C7C6104.6°180.0°
C8N1C9H1799.9°59.9°
C8N1C9H1818.9°60.1°
N1C8C7H2015.8°60.0°
N1C8C7H21135.0°60.0°
O3C8C7C677.3°0.0°
O3C8N1H19168.3°180.0°
O3C8C7H20162.3°120.0°
O3C8C7H2143.1°120.0°
C8C7C6H20120.4°120.0°
C8C7C6H21120.4°120.0°
C8C7C6N69.3°180.0°
C8C7C6O2111.4°0.0°
C7C8N1H1913.6°0.0°
C8C7H20H21118.8°120.0°
C7C6NO2179.3°180.0°
C7C6NC5177.2°175.4°
C6C7H20H21118.7°120.1°
C7C6NH222.8°4.6°
C6NC5H22180.0°180.0°
C6NC5C25175.3°35.1°
C6NC5C40.5°144.6°
NC6C7H20170.3°60.0°
NC6C7H2151.1°60.1°
O2C6NC53.6°4.7°
O2C6C7H209.0°119.9°
O2C6C7H21128.2°120.0°
O2C6NH22176.4°175.4°
NC5C25C4175.8°179.7°
NC5C25C1173.5°179.7°
NC5C4C3173.8°180.0°
NC5C4H236.2°0.0°
NC5C25H266.5°0.0°
C5C25C1H26180.0°179.7°
C25C5C4C32.0°0.4°
C5C25C1C174.0°180.0°
C5C25C1C21.0°0.6°
C25C5NH224.7°144.9°
C25C5C4H23178.0°179.7°
C4C5C25C12.3°0.6°
C5C4C3H23180.0°179.9°
C5C4C3C20.4°0.1°
C4C5NH22179.5°35.4°
C5C4C3H24179.7°180.0°
C4C5C25H26177.7°179.7°
C25C1CO7.6°0.1°
C25C1CC2174.9°179.4°
C25C1CO1168.5°180.0°
C25C1C2C30.7°0.3°
C25C1C2H25179.3°179.8°
OCC1O1176.2°179.9°
OCC1C2177.4°179.5°
OCO1H270.0°0.1°
C4C3C2C11.0°0.0°
C4C3C2H24180.0°180.0°
C4C3C2H25179.0°180.0°
CC1C2C3175.6°179.7°
CC1C2H254.3°0.3°
CC1C25H266.0°0.3°
C1CO1H27175.8°180.0°
C2C1CO16.4°0.6°
C1C2C3H25180.0°179.9°
C1C2C3H24179.0°180.0°
C2C1C25H26179.0°179.7°
C2C3C4H23179.6°180.0°
H1C24C23H20.1°0.0°
H2C23C22H30.2°0.0°
H3C22C21H40.1°0.2°
H4C21C20H50.2°0.5°
H6C15C14H70.1°0.0°
H9C12N2H11147.0°176.1°
H10C12N2H1194.1°64.0°
H11N2C11H13152.1°176.0°
H11N2C11H1432.9°64.0°
H13C11C10H15171.8°179.9°
H13C11C10H1652.3°59.9°
H14C11C10H1569.0°60.0°
H14C11C10H16171.5°180.0°
H15C10C9H17171.9°179.9°
H15C10C9H1853.0°60.0°
H16C10C9H1768.6°60.0°
H16C10C9H18172.5°180.0°
H17C9N1H1980.1°120.0°
H18C9N1H19161.1°120.0°
H23C4C3H240.4°0.0°
H24C3C2H251.0°0.0°

221716

PDB entries from 2024-06-26

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