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SummaryGeometryRelated PDB entries

DWC

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C13C14doub1.43Å1.43Å
C13C12sing1.41Å1.44Å
C13OSsing1.82Å2.19Å
C14C16sing1.42Å1.44Å
C14OSsing1.61Å2.21Å
C12C17sing1.41Å1.43Å
C12OSsing2.09Å2.20Å
C16C17doub1.41Å1.45Å
C16OSsing1.77Å2.21Å
C17OSsing2.06Å2.21Å
O11C10trip1.22Å1.11Å
C10OSsing2.32Å1.87Å
OSN21sing2.62Å2.09Å
OSN19sing2.45Å2.11Å
C6N21doub1.33Å1.35ÅAromatic
C6C5sing1.40Å1.41ÅAromatic
N21C7sing1.36Å1.40ÅAromatic
C5C4doub1.37Å1.41ÅAromatic
N19C22sing1.37Å1.36ÅAromatic
N19C23sing1.42Å1.39ÅAromatic
C7C22doub1.41Å1.39ÅAromatic
C7C3sing1.40Å1.39ÅAromatic
C4C3sing1.41Å1.41ÅAromatic
C24C23doub1.39Å1.40ÅAromatic
C24C25sing1.37Å1.39ÅAromatic
C22C29sing1.38Å1.39ÅAromatic
C3C2doub1.43Å1.43ÅAromatic
C23C28sing1.42Å1.42ÅAromatic
C25C26doub1.40Å1.42ÅAromatic
C29C28sing1.45Å1.39ÅAromatic
C29C30doub1.40Å1.42ÅAromatic
C28C27doub1.39Å1.41ÅAromatic
C2C30sing1.41Å1.43ÅAromatic
C2C1sing1.49Å1.38Å
C30C31sing1.49Å1.40Å
C26C27sing1.38Å1.42ÅAromatic
C26O15sing1.37Å1.37Å
O9C1doub1.22Å1.25Å
C1N20sing1.39Å1.38Å
C31N20sing1.38Å1.37Å
C31O8doub1.22Å1.22Å
C4H4sing0.94Å1.08Å
C5H5sing0.94Å1.08Å
C6H6sing0.94Å1.08Å
C12H12sing0.94Å1.10Å
N20HN20sing0.88Å1.00Å
C24H24sing0.94Å1.08Å
C25H25sing0.94Å1.08Å
O15HO15sing0.86Å0.95Å
C27H27sing0.93Å1.08Å
H1C13sing0.94Å1.10Å
H2C14sing0.94Å1.10Å
H3C16sing0.94Å1.10Å
H7C17sing0.94Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C14C13C12108.7°107.8°
C14C13OS71.6°57.8°
C13C14C16107.5°107.8°
C13C14OS70.4°73.5°
C14C13H1124.9°126.1°
C13C14H2125.4°125.9°
C12C13OS71.0°79.4°
C13C12C17107.9°108.1°
C13C12OS70.8°59.0°
C13C12H12125.2°125.9°
C12C13H1124.8°126.1°
C13OSC1438.0°48.7°
C13OSC1238.2°41.6°
C13OSC1663.5°79.5°
C13OSC1763.5°71.9°
C13OSC1091.8°79.1°
C13OSN21132.2°139.2°
C13OSN19148.8°131.5°
OSC13H1111.9°128.8°
C16C14OS70.9°71.5°
C14C16C17108.1°107.8°
C14C16OS71.1°59.2°
C16C14H2125.3°126.2°
C14C16H3125.2°126.6°
C14OSC1263.9°75.5°
C14OSC1638.0°49.3°
C14OSC1763.8°76.0°
C14OSC10120.3°109.1°
C14OSN21101.3°146.8°
C14OSN19146.9°87.0°
OSC14H2112.1°120.0°
C17C12OS71.4°69.1°
C12C17C16107.9°108.5°
C12C17OS70.6°71.1°
C17C12H12125.3°126.0°
C12C17H7125.4°125.7°
C12OSC1663.7°72.4°
C12OSC1737.9°39.9°
C12OSC1097.8°96.5°
C12OSN21164.1°134.2°
C12OSN19110.6°157.0°
OSC12H12112.1°138.1°
C17C16OS70.8°79.8°
C16C17OS70.9°57.9°
C17C16H3125.0°125.6°
C16C17H7124.9°125.8°
C16OSC1738.2°42.4°
C16OSC10155.2°157.1°
C16OSN21101.2°141.2°
C16OSN19109.1°84.9°
OSC16H3112.0°126.6°
C17OSC10132.7°134.9°
C17OSN21131.9°135.1°
C17OSN1991.5°121.7°
OSC17H7112.0°136.4°
O11C10OS178.7°176.8°
C10OSN2194.9°60.4°
C10OSN1992.5°103.4°
N21OSN1978.2°67.3°
OSN21C6127.4°128.5°
OSN21C7114.2°114.3°
OSN19C22113.0°116.5°
OSN19C23143.5°137.8°
N21C6C5120.0°124.5°
C6N21C7118.1°117.2°
N21C6H6120.0°117.9°
C6C5C4120.7°118.0°
C6C5H5119.6°120.9°
C5C6H6120.0°117.6°
N21C7C22115.3°117.6°
N21C7C3125.8°122.6°
C5C4C3120.3°119.6°
C5C4H4119.8°120.5°
C4C5H5119.6°121.0°
C22N19C23103.4°105.6°
N19C22C7119.1°124.1°
N19C22C29114.2°113.1°
N19C23C24128.3°130.2°
N19C23C28110.8°109.1°
C22C7C3118.9°119.8°
C7C22C29126.6°122.8°
C7C3C4115.1°118.1°
C7C3C2117.1°117.7°
C4C3C2127.7°124.2°
C3C4H4119.8°119.9°
C23C24C25118.8°118.7°
C24C23C28120.9°120.7°
C23C24H24120.6°120.9°
C24C25C26121.6°121.2°
C25C24H24120.6°120.4°
C24C25H25119.2°119.5°
C22C29C28105.1°105.8°
C22C29C30115.4°118.4°
C3C2C30122.8°120.8°
C3C2C1131.1°131.8°
C23C28C29106.5°106.4°
C23C28C27120.1°119.8°
C25C26C27119.4°120.7°
C25C26O15120.1°116.5°
C26C25H25119.2°119.3°
C28C29C30139.6°135.9°
C29C28C27133.4°133.8°
C29C30C2119.1°120.6°
C29C30C31133.7°132.5°
C28C27C26119.1°119.0°
C28C27H27120.5°120.4°
C30C2C1106.1°107.4°
C2C30C31107.2°107.0°
C2C1O9127.4°129.1°
C2C1N20109.9°106.8°
C30C31N20109.0°107.1°
C30C31O8128.8°129.2°
C27C26O15120.5°122.8°
C26C27H27120.5°120.7°
C26O15HO15109.5°110.5°
O9C1N20122.8°124.1°
C1N20C31107.9°111.7°
C1N20HN20126.1°123.7°
N20C31O8122.2°123.8°
C31N20HN20126.1°124.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C14C13C12OS62.0°50.9°
C14C13C12H1166.0°178.4°
C14C13OSH1121.0°112.8°
C13C14C16OS61.3°65.0°
C13C14C16H2165.4°179.1°
C13C14OSH2121.3°122.4°
C14C13C12C170.2°0.3°
C13C14C16C170.2°0.9°
C13C14OSC1779.8°78.0°
C13C14OSC1046.3°55.1°
C14C13OSN2143.1°133.4°
C14C13OSN19120.8°29.6°
C14C13C12H12166.1°179.5°
C13C14C16H3165.4°179.9°
C12C13OSH1120.8°128.1°
C12C13C14C160.0°0.7°
C13C12C17OS61.8°45.2°
C13C12C17H12166.3°179.8°
C13C12OSH12121.2°110.8°
C13C12C17C160.3°0.3°
C13C12OSC1679.7°94.0°
C13C12OSC1082.9°65.4°
C12C13OSN21161.3°107.5°
C12C13OSN192.6°148.7°
C12C13C14H2165.3°179.9°
C13C12C17H7165.6°179.3°
C13OSC17C1679.9°94.3°
C13OSC16C102.2°21.2°
C13OSC16N21131.8°177.2°
C13OSC16N19147.0°133.9°
C13OSC17C1065.6°52.5°
C13OSC17N21124.1°143.2°
C13OSC17N19160.4°128.1°
C13OSC10O1146.7°19.4°
C13OSC10N21132.6°175.8°
C13OSC10N19149.1°130.4°
C13OSN21N19171.6°128.0°
C13OSN21C66.3°54.4°
C13OSN21C7167.9°125.8°
C13OSN19C22164.4°133.9°
C13OSN19C2310.8°41.5°
C13OSC16H3158.9°158.4°
C13OSC17H7159.1°155.7°
C16C14OSH2121.3°121.8°
C14C16C17C120.3°0.7°
C14C16OSC1280.5°85.8°
C14C16C17OS61.6°52.9°
C14C16C17H3165.6°179.2°
C14C16OSH3121.2°115.0°
C14C16OSC1035.5°22.3°
C16C14OSN2193.7°124.2°
C16C14OSN198.1°85.9°
C16C14C13H1166.0°179.1°
C14C16C17H7165.7°179.8°
C14OSC17C1280.4°84.1°
C14OSC12C10120.0°108.1°
C14OSC12N2122.8°162.5°
C14OSC12N19144.3°41.7°
C14OSC17C10108.2°103.1°
C14OSC17N2181.6°166.2°
C14OSC17N19157.0°77.5°
C14OSC10O1120.3°19.5°
C14OSC10N21106.2°145.3°
C14OSC10N19175.5°91.5°
C14OSN21N19146.2°42.1°
C14OSN21C631.8°140.3°
C14OSN21C7142.5°39.9°
C14OSN19C2289.1°155.7°
C14OSN19C2386.0°19.6°
C14OSC12H12158.3°153.6°
C14OSC17H7158.3°153.6°
C17C12OSH12121.5°121.1°
C12C17C16OS61.3°52.1°
C12C17C16H7165.4°179.0°
C12C17OSH7121.3°122.3°
C12C17OSC1027.8°19.1°
C17C12OSN2157.3°112.1°
C17C12OSN1964.1°43.7°
C17C12C13H1166.2°178.7°
C12C17C16H3165.3°179.9°
C12OSC16C1045.0°63.5°
C12OSC16N21174.6°140.4°
C12OSC16N19104.2°176.2°
C12OSC10O1184.5°57.4°
C12OSC10N21170.4°137.9°
C12OSC10N19111.2°168.3°
C12OSN21N19125.3°170.0°
C12OSN21C652.6°7.6°
C12OSN21C7121.6°172.3°
C12OSN19C22162.6°164.1°
C12OSN19C2312.5°20.5°
C12OSC14H2158.7°159.2°
C12OSC16H3158.3°159.2°
C17C16OSH3121.0°127.1°
C16C17OSH7120.9°110.0°
C16C17OSC10145.5°146.8°
C17C16OSN21148.1°108.3°
C17C16OSN1966.9°151.6°
C16C17C12H12165.9°179.9°
C17C16C14H2165.6°179.9°
C16OSC10O1144.7°1.8°
C16OSC10N21130.6°163.0°
C16OSC10N19151.1°109.2°
C16OSN21N19107.4°47.8°
C16OSN21C670.6°129.8°
C16OSN21C7103.7°50.1°
C16OSN19C2294.3°154.9°
C16OSN19C2380.8°29.7°
C16OSC12H12159.1°155.1°
C16OSC13H1158.7°156.7°
C17OSC10O11101.3°69.5°
C17OSC10N21172.8°125.7°
C17OSC10N1994.4°179.5°
C17OSN21N1981.3°112.8°
C17OSN21C696.6°64.8°
C17OSN21C777.6°115.0°
C17OSN19C22129.0°132.8°
C17OSN19C2346.1°51.8°
C17OSC13H1158.4°160.2°
C17OSC14H2158.9°159.6°
O11C10OSN2185.9°164.8°
O11C10OSN19164.2°111.0°
C10OSN21N1991.6°121.7°
C10OSN21C690.5°60.7°
C10OSN21C795.3°119.4°
C10OSN19C2298.1°46.8°
C10OSN19C2386.8°128.6°
C10OSC12H1238.3°45.4°
C10OSC13H120.4°15.1°
C10OSC14H275.1°67.2°
C10OSC16H3156.7°137.2°
C10OSC17H793.6°103.2°
OSN21C6C7174.0°179.8°
OSN21C6C5176.8°177.1°
N21OSN19C223.6°2.7°
N21OSN19C23178.7°178.1°
OSN21C7C223.3°1.6°
OSN21C7C3177.1°177.7°
OSN21C6H63.2°0.3°
N21OSC12H12178.8°9.0°
N21OSC13H177.9°20.7°
N21OSC14H227.5°2.4°
N21OSC16H327.1°18.8°
N21OSC17H776.7°12.5°
N19OSN21C6177.9°177.6°
N19OSN21C73.7°2.3°
OSN19C22C23177.0°176.8°
OSN19C22C73.0°3.3°
OSN19C23C242.6°3.9°
OSN19C22C29178.3°177.3°
OSN19C23C28177.0°176.1°
N19OSC12H1257.4°164.7°
N19OSC13H1118.2°83.2°
N19OSC14H2113.2°35.9°
N19OSC16H354.1°24.5°
N19OSC17H71.3°76.2°
N21C6C5H6180.0°177.4°
N21C6C5C42.2°1.8°
C6N21C7C22178.1°178.3°
C6N21C7C32.3°2.4°
N21C6C5H5177.8°178.4°
C5C6N21C72.8°3.0°
C6C5C4H5180.0°179.8°
C6C5C4C30.8°0.0°
C6C5C4H4179.2°179.1°
N21C7C22N190.2°1.1°
N21C7C22C3179.6°179.3°
N21C7C3C40.9°0.8°
N21C7C22C29178.3°179.6°
N21C7C3C2178.8°179.3°
C7N21C6H6177.2°179.6°
C5C4C3C70.2°0.5°
C5C4C3H4180.0°179.0°
C5C4C3C2179.5°179.5°
C4C5C6H6177.8°179.3°
N19C22C7C29178.5°179.3°
N19C22C7C3179.8°179.6°
C22N19C23C24178.0°179.6°
C22N19C23C281.7°0.4°
N19C22C29C280.4°0.5°
N19C22C29C30179.7°179.7°
C23N19C22C7180.0°179.9°
N19C23C24C28179.6°180.0°
N19C23C24C25177.5°179.9°
C23N19C22C291.3°0.6°
N19C23C28C291.5°0.1°
N19C23C28C27179.7°179.9°
N19C23C24H242.5°0.1°
C22C7C3C4179.5°180.0°
C22C7C3C20.8°0.0°
C7C22C29C28179.0°179.8°
C7C22C29C301.8°0.4°
C7C3C4C2179.6°179.9°
C3C7C22C291.3°0.3°
C7C3C2C301.0°0.3°
C7C3C2C1178.6°179.7°
C7C3C4H4179.9°179.5°
C4C3C2C30179.3°179.7°
C4C3C2C11.7°0.2°
C3C4C5H5179.2°179.8°
C23C24C25H24180.0°179.9°
C23C24C25C263.4°0.0°
C24C23C28C29178.2°179.9°
C24C23C28C270.0°0.1°
C23C24C25H25176.7°180.0°
C25C24C23C282.9°0.1°
C24C25C26H25180.0°179.9°
C24C25C26C270.9°0.1°
C24C25C26O15177.4°180.0°
C22C29C28C230.6°0.2°
C22C29C28C30178.9°179.7°
C22C29C28C27178.5°179.8°
C22C29C30C21.8°0.1°
C22C29C30C31178.1°179.9°
C3C2C30C291.6°0.2°
C3C2C30C1178.1°179.6°
C3C2C30C31178.3°179.8°
C3C2C1O91.4°0.3°
C3C2C1N20178.4°179.7°
C2C3C4H40.5°0.4°
C23C28C29C27177.9°180.0°
C23C28C29C30178.3°180.0°
C23C28C27C262.4°0.1°
C28C23C24H24177.1°179.9°
C23C28C27H27177.6°180.0°
C25C26C27C281.9°0.1°
C25C26C27O15178.4°180.0°
C26C25C24H24176.6°179.9°
C25C26O15HO15180.0°180.0°
C25C26C27H27178.0°179.9°
C28C29C30C2179.3°179.8°
C28C29C30C310.8°0.2°
C29C28C27C26179.9°179.9°
C29C28C27H270.1°0.0°
C30C29C28C270.4°0.0°
C29C30C2C31179.9°180.0°
C29C30C2C1179.7°179.8°
C29C30C31N20179.9°180.0°
C29C30C31O80.7°0.1°
C28C27C26H27180.0°179.9°
C28C27C26O15179.7°180.0°
C30C2C1O9179.3°179.8°
C30C2C1N200.5°0.2°
C2C30C31N200.2°0.1°
C2C30C31O8179.4°179.9°
C1C2C30C310.2°0.2°
C2C1O9N20179.8°180.0°
C2C1N20C310.7°0.2°
C2C1N20HN20179.3°179.9°
C30C31N20C10.5°0.1°
C30C31N20O8179.3°180.0°
C30C31N20HN20179.5°180.0°
C27C26C25H25179.1°180.0°
C27C26O15HO151.6°0.0°
O15C26C25H252.5°0.1°
O15C26C27H270.4°0.1°
O9C1N20C31179.2°179.9°
O9C1N20HN200.8°0.0°
C1N20C31HN20180.0°179.9°
C1N20C31O8179.8°179.9°
O8C31N20HN200.2°0.1°
H4C4C5H50.8°0.7°
H5C5C6H62.2°1.0°
H12C12C13H10.1°1.1°
H12C12C17H70.6°0.9°
H24C24C25H253.4°0.0°
H1C13C14H20.6°1.7°
H2C14C16H30.0°0.8°
H3C16C17H70.1°1.1°

258735

PDB entries from 2026-08-26

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