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UCI

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C15C14sing1.53Å1.51Å
C14S1sing1.81Å1.76Å
O4S1doub1.42Å1.43Å
S1O3doub1.42Å1.43Å
S1N2sing1.66Å1.64Å
C12N2sing1.47Å1.47Å
C12C11sing1.53Å1.53Å
N2C13sing1.47Å1.47Å
C18C17doub1.38Å1.39ÅAromatic
C18C19sing1.38Å1.38ÅAromatic
C13C9sing1.53Å1.52Å
C17C16sing1.38Å1.39ÅAromatic
C19C20doub1.38Å1.38ÅAromatic
C16C11sing1.51Å1.52Å
C16C21doub1.38Å1.39ÅAromatic
C20C21sing1.38Å1.39ÅAromatic
C11C10sing1.53Å1.54Å
C10C9sing1.53Å1.54Å
C9C8sing1.51Å1.52Å
C8N1sing1.35Å1.35Å
C8O2doub1.21Å1.23Å
N1C5sing1.40Å1.41Å
C5C6doub1.39Å1.39ÅAromatic
C5C4sing1.39Å1.39ÅAromatic
C6C7sing1.38Å1.38ÅAromatic
C4C3doub1.38Å1.38ÅAromatic
F2C1sing1.40Å1.32Å
C7C2doub1.39Å1.38ÅAromatic
C3C2sing1.39Å1.39ÅAromatic
C2O1sing1.36Å1.42Å
C1F1sing1.40Å1.33Å
C1O1sing1.43Å1.34Å
C1F3sing1.40Å1.31Å
N1H1sing0.97Å1.00Å
C4H2sing1.08Å1.08Å
C6H3sing1.08Å1.08Å
C7H4sing1.08Å1.08Å
C10H5sing1.09Å1.10Å
C10H6sing1.09Å1.10Å
C13H7sing1.09Å1.10Å
C13H8sing1.09Å1.10Å
C15H9sing1.09Å1.10Å
C15H10sing1.09Å1.10Å
C15H11sing1.09Å1.10Å
C17H12sing1.08Å1.08Å
C20H13sing1.08Å1.08Å
C21H14sing1.08Å1.08Å
C3H15sing1.08Å1.08Å
C9H16sing1.09Å1.10Å
C11H17sing1.09Å1.10Å
C12H18sing1.09Å1.10Å
C12H19sing1.09Å1.10Å
C14H20sing1.09Å1.10Å
C14H21sing1.09Å1.10Å
C18H22sing1.08Å1.08Å
C19H23sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C15C14S1110.3°109.5°
C14C15H9109.5°109.4°
C14C15H10109.4°109.5°
C14C15H11109.5°109.5°
C15C14H20109.3°109.5°
C15C14H21109.3°109.4°
C14S1O4107.5°110.6°
C14S1O3108.0°110.5°
C14S1N2105.1°104.4°
S1C14H20109.3°109.5°
S1C14H21109.3°109.5°
O4S1O3119.4°121.1°
O4S1N2107.5°104.3°
O3S1N2108.3°104.2°
S1N2C12117.5°120.6°
S1N2C13116.6°120.7°
N2C12C11111.5°108.8°
C12N2C13111.3°118.7°
N2C12H18108.9°109.6°
N2C12H19108.9°109.6°
C12C11C16112.2°109.5°
C12C11C10110.9°109.3°
C12C11H17106.3°109.5°
C11C12H18109.0°109.6°
C11C12H19109.0°109.6°
N2C13C9108.6°108.8°
N2C13H7109.7°109.6°
N2C13H8109.7°109.7°
C17C18C19120.1°120.0°
C18C17C16121.2°120.0°
C18C17H12119.4°120.0°
C17C18H22119.9°120.0°
C18C19C20119.7°120.0°
C19C18H22120.0°120.0°
C18C19H23120.2°120.0°
C13C9C10109.1°109.3°
C13C9C8109.7°109.5°
C9C13H7109.7°109.6°
C9C13H8109.7°109.6°
C13C9H16108.4°109.5°
C17C16C11120.3°120.0°
C17C16C21117.7°120.0°
C16C17H12119.4°119.9°
C19C20C21120.2°120.0°
C19C20H13119.9°120.0°
C20C19H23120.2°119.9°
C11C16C21122.0°120.0°
C16C11C10114.3°109.5°
C16C11H17106.4°109.5°
C16C21C20121.2°120.0°
C16C21H14119.4°120.0°
C21C20H13119.9°120.0°
C20C21H14119.4°120.0°
C11C10C9111.8°109.5°
C11C10H5108.9°109.4°
C11C10H6108.9°109.5°
C10C11H17106.2°109.5°
C10C9C8113.0°109.5°
C9C10H5108.9°109.4°
C9C10H6108.9°109.5°
C10C9H16108.2°109.5°
C9C8N1114.6°120.0°
C9C8O2122.6°120.0°
C8C9H16108.4°109.5°
N1C8O2122.8°119.9°
C8N1C5128.0°120.1°
C8N1H1116.0°120.0°
N1C5C6115.9°120.0°
N1C5C4125.0°120.1°
C5N1H1116.0°119.9°
C6C5C4119.1°120.0°
C5C6C7120.5°120.0°
C5C6H3119.8°120.0°
C5C4C3120.5°120.0°
C5C4H2119.8°120.0°
C6C7C2120.3°120.0°
C7C6H3119.7°120.0°
C6C7H4119.9°120.0°
C4C3C2120.1°120.1°
C3C4H2119.8°120.0°
C4C3H15119.9°120.0°
F2C1F1107.6°109.5°
F2C1O1112.5°109.5°
F2C1F3106.2°109.5°
C7C2C3119.5°120.0°
C7C2O1118.8°120.0°
C2C7H4119.9°120.0°
C3C2O1121.6°120.0°
C2C3H15120.0°120.0°
C2O1C1119.2°117.0°
F1C1O1112.6°109.4°
F1C1F3107.1°109.5°
O1C1F3110.5°109.4°
H5C10H6109.5°109.5°
H7C13H8109.5°109.5°
H9C15H10109.5°109.4°
H9C15H11109.5°109.5°
H10C15H11109.5°109.5°
H18C12H19109.5°109.7°
H20C14H21109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C15C14S1H20120.1°120.0°
C15C14S1H21120.1°120.0°
C15C14S1O452.8°68.4°
C15C14S1O377.3°68.4°
C15C14S1N2167.2°180.0°
C14C15H9H10120.0°119.9°
C14C15H9H11120.0°120.0°
C14C15H10H11120.0°120.0°
C15C14H20H21119.6°120.0°
C14S1O4O3123.5°131.5°
C14S1O4N2112.7°111.7°
C14S1O3N2113.3°111.7°
C14S1N2C1267.3°90.0°
C14S1N2C1368.7°90.0°
S1C14C15H9180.0°60.0°
S1C14C15H1060.0°180.0°
S1C14C15H1160.0°60.0°
S1C14H20H21119.6°120.0°
O4S1O3N2123.4°116.7°
O4S1N2C1247.1°26.1°
O4S1N2C13176.9°153.9°
O4S1C14H20173.0°171.6°
O4S1C14H2167.3°51.6°
O3S1N2C12177.4°153.9°
O3S1N2C1346.6°26.1°
O3S1C14H2042.8°51.6°
O3S1C14H21162.5°171.6°
S1N2C12C13138.2°180.0°
S1N2C12C11161.5°126.4°
S1N2C13C9156.3°126.4°
S1N2C13H736.5°113.8°
S1N2C13H883.8°6.5°
S1N2C12H1878.2°6.6°
S1N2C12H1941.2°113.8°
N2S1C14H2072.6°60.0°
N2S1C14H2147.1°60.1°
N2C12C11H18120.3°119.8°
N2C12C11H19120.3°119.7°
C12N2C13C965.1°53.6°
N2C12C11C16179.7°174.6°
N2C12C11C1051.3°54.6°
C12N2C13H7175.0°66.2°
C12N2C13H854.8°173.5°
N2C12C11H1763.7°65.3°
N2C12H18H19119.0°120.3°
C11C12N2C1360.3°53.6°
C12C11C16C1756.5°120.1°
C12C11C16C10127.3°119.8°
C12C11C16H17115.9°120.0°
C12C11C16C21123.4°59.9°
C12C11C10H17115.1°119.9°
C12C11C10C949.2°61.4°
C12C11C10H571.2°178.7°
C12C11C10H6169.5°58.7°
C11C12H18H19119.1°120.4°
N2C13C9H7119.9°119.8°
N2C13C9H8119.9°119.9°
N2C13C9C1061.1°54.7°
N2C13C9C863.1°65.3°
N2C13H7H8120.4°120.4°
N2C13C9H16178.7°174.6°
C13N2C12H1860.0°173.4°
C13N2C12H19179.4°66.2°
C17C18C19H22180.0°179.9°
C18C17C16H12180.0°179.8°
C17C18C19C200.2°0.1°
C18C17C16C11179.9°179.8°
C18C17C16C210.2°0.2°
C17C18C19H23179.8°180.0°
C19C18C17C160.1°0.1°
C18C19C20H23180.0°180.0°
C18C19C20C210.3°0.3°
C19C18C17H12180.0°179.7°
C18C19C20H13179.7°179.6°
C13C9C10C1154.2°61.4°
C13C9C10C8122.3°120.0°
C13C9C10H16117.7°120.0°
C13C9C8H16118.2°120.1°
C13C9C8N160.2°60.1°
C13C9C8O2120.2°119.8°
C13C9C10H566.1°178.6°
C13C9C10H6174.6°58.6°
C9C13H7H8120.4°120.3°
C17C16C11C21179.9°180.0°
C17C16C21C200.1°0.6°
C17C16C11C10176.2°120.1°
C17C16C21H14179.9°179.5°
C17C16C11H1759.3°0.1°
C16C17C18H22179.9°180.0°
C19C20C21C160.2°0.6°
C19C20C21H13180.0°179.4°
C19C20C21H14179.8°179.5°
C20C19C18H22179.8°180.0°
C11C16C21C20179.9°179.4°
C16C11C10H17117.0°120.1°
C16C11C10C9177.1°178.6°
C16C11C10H556.8°58.7°
C16C11C10H662.5°61.3°
C11C16C17H120.0°0.0°
C11C16C21H140.0°0.5°
C16C11C12H1860.0°65.6°
C16C11C12H1959.4°54.8°
C16C21C20H14180.0°180.0°
C21C16C11C103.9°59.9°
C21C16C17H12179.8°180.0°
C16C21C20H13179.8°179.9°
C21C16C11H17120.8°179.9°
C21C20C19H23179.7°179.7°
C11C10C9H5120.4°119.9°
C11C10C9H6120.3°120.1°
C11C10C9C868.0°58.6°
C11C10H5H6118.9°120.0°
C11C10C9H16171.9°178.6°
C10C11C12H1869.0°174.5°
C10C11C12H19171.6°65.1°
C10C9C8H16119.9°120.1°
C10C9C8N1177.9°180.0°
C10C9C8O21.7°0.0°
C9C10H5H6118.9°120.0°
C10C9C13H7179.0°65.1°
C10C9C13H858.8°174.6°
C9C10C11H1765.9°58.5°
C9C8N1O2179.6°179.9°
C9C8N1C5176.9°174.7°
C9C8N1H13.1°5.6°
C8C9C10H5171.6°61.4°
C8C9C10H652.3°178.6°
C8C9C13H756.8°174.9°
C8C9C13H8177.0°54.6°
C8N1C5H1180.0°179.7°
C8N1C5C6166.7°33.3°
C8N1C5C413.3°146.6°
N1C8C9H1658.0°59.9°
O2C8N1C53.5°5.2°
O2C8N1H1176.5°174.5°
O2C8C9H16121.6°120.1°
N1C5C6C4180.0°179.9°
N1C5C6C7178.9°179.9°
N1C5C4C3179.2°180.0°
N1C5C4H20.8°0.3°
N1C5C6H31.1°0.0°
C5C6C7H3180.0°179.9°
C6C5C4C30.8°0.0°
C5C6C7C20.3°0.0°
C6C5N1H113.3°147.0°
C6C5C4H2179.2°179.7°
C5C6C7H4179.6°180.0°
C4C5C6C71.2°0.0°
C5C4C3H2180.0°179.7°
C5C4C3C20.3°0.0°
C4C5N1H1166.7°33.1°
C4C5C6H3178.9°179.9°
C5C4C3H15179.7°179.7°
C6C7C2H4180.0°180.0°
C6C7C2C30.8°0.1°
C6C7C2O1179.3°180.0°
C4C3C2C71.1°0.0°
C4C3C2H15180.0°179.7°
C4C3C2O1179.6°180.0°
F2C1O1C253.9°60.0°
F2C1F1O1124.6°120.0°
F2C1F1F3113.8°120.1°
F2C1O1F3118.5°120.0°
C7C2C3O1178.4°179.9°
C7C2O1C1119.5°180.0°
C2C7C6H3179.7°180.0°
C7C2C3H15178.9°179.8°
C3C2O1C162.1°0.0°
C2C3C4H2179.7°179.7°
C3C2C7H4179.2°180.0°
C2O1C1F167.8°60.0°
C2O1C1F3172.4°180.0°
O1C2C7H40.7°0.0°
O1C2C3H150.4°0.3°
F1C1O1F3119.7°120.0°
H2C4C3H150.3°0.0°
H3C6C7H40.3°0.1°
H5C10C9H1651.6°58.7°
H5C10C11H17173.7°61.4°
H6C10C9H1667.7°61.3°
H6C10C11H1754.4°178.6°
H7C13C9H1661.4°54.8°
H8C13C9H1658.8°65.4°
H9C15H10H11120.0°120.0°
H9C15C14H2059.8°179.9°
H9C15C14H2159.9°59.9°
H10C15C14H2060.1°60.0°
H10C15C14H21179.9°60.0°
H11C15C14H20179.8°60.0°
H11C15C14H2160.1°180.0°
H12C17C18H220.0°0.2°
H13C20C21H140.2°0.1°
H13C20C19H230.3°0.3°
H17C11C12H18176.0°54.5°
H17C11C12H1956.6°174.9°
H22C18C19H230.2°0.1°

222415

PDB entries from 2024-07-10

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