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2TZ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C25C3sing1.53Å1.54Å
C22C3sing1.53Å1.53Å
C3C24sing1.53Å1.55Å
C3S1sing1.81Å1.79Å
O4S1doub1.42Å1.44Å
S1C20sing1.81Å1.77Å
S1O5doub1.42Å1.44Å
C20C18sing1.53Å1.52Å
C2C1sing1.53Å1.49Å
C18C1sing1.53Å1.55Å
C18N1sing1.46Å1.47Å
C11C12doub1.38Å1.40ÅAromatic
C11C10sing1.38Å1.41ÅAromatic
C12C7sing1.38Å1.42ÅAromatic
N1C26sing1.46Å1.49Å
N1C5sing1.34Å1.37Å
CL1C10sing1.74Å1.70Å
C10C9doub1.38Å1.40ÅAromatic
C7C26sing1.51Å1.52Å
C7C8doub1.38Å1.42ÅAromatic
C26C19sing1.53Å1.54Å
O1C5doub1.21Å1.23Å
C5C4sing1.50Å1.53Å
C9C8sing1.38Å1.41ÅAromatic
C13C14doub1.38Å1.42ÅAromatic
C13C6sing1.38Å1.41ÅAromatic
C14C15sing1.38Å1.41ÅAromatic
C19O6sing1.43Å1.42Å
C19C6sing1.51Å1.52Å
C4O6sing1.43Å1.43Å
C4C21sing1.53Å1.52Å
C6C17doub1.38Å1.42ÅAromatic
C15C16doub1.38Å1.38ÅAromatic
C17C16sing1.38Å1.41ÅAromatic
C16CL2sing1.74Å1.72Å
C21C23sing1.51Å1.54Å
O2C23doub1.21Å1.20Å
C23O3sing1.34Å1.35Å
C17H1sing1.08Å1.08Å
C15H2sing1.08Å1.08Å
C14H3sing1.08Å1.08Å
C13H4sing1.08Å1.08Å
C19H5sing1.09Å1.10Å
C4H6sing1.09Å1.10Å
C21H7sing1.09Å1.10Å
C21H8sing1.09Å1.10Å
O3H9sing0.97Å0.95Å
C18H10sing1.09Å1.10Å
C20H11sing1.09Å1.10Å
C20H12sing1.09Å1.10Å
C26H13sing1.09Å1.10Å
C8H14sing1.08Å1.08Å
C9H15sing1.08Å1.08Å
C11H16sing1.08Å1.08Å
C12H17sing1.08Å1.08Å
C1H18sing1.09Å1.10Å
C1H19sing1.09Å1.10Å
C2H20sing1.09Å1.10Å
C2H21sing1.09Å1.10Å
C2H22sing1.09Å1.10Å
C22H23sing1.09Å1.10Å
C22H24sing1.09Å1.10Å
C22H25sing1.09Å1.10Å
C24H26sing1.09Å1.10Å
C24H27sing1.09Å1.10Å
C24H28sing1.09Å1.10Å
C25H29sing1.09Å1.10Å
C25H30sing1.09Å1.10Å
C25H31sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C25C3C22109.9°109.4°
C25C3C24114.7°109.5°
C25C3S1106.6°109.5°
C3C25H29109.5°109.5°
C3C25H30109.4°109.5°
C3C25H31109.5°109.5°
C22C3C24109.2°109.5°
C22C3S1105.0°109.5°
C3C22H23109.5°109.5°
C3C22H24109.5°109.5°
C3C22H25109.5°109.5°
C24C3S1111.0°109.5°
C3C24H26109.5°109.5°
C3C24H27109.4°109.4°
C3C24H28109.5°109.4°
C3S1O4106.5°108.6°
C3S1C20103.2°101.9°
C3S1O5108.5°108.6°
O4S1C20109.4°108.6°
O4S1O5120.5°119.2°
C20S1O5107.5°108.6°
S1C20C18110.8°109.5°
S1C20H11109.1°109.5°
S1C20H12109.1°109.4°
C20C18C1113.2°109.4°
C20C18N1112.7°109.5°
C20C18H10105.3°109.5°
C18C20H11109.2°109.5°
C18C20H12109.1°109.5°
C2C1C18114.8°109.4°
C2C1H18108.1°109.5°
C2C1H19108.1°109.5°
C1C2H20109.5°109.5°
C1C2H21109.5°109.5°
C1C2H22109.5°109.4°
C1C18N1113.7°109.5°
C1C18H10105.0°109.5°
C18C1H18108.1°109.5°
C18C1H19108.1°109.5°
C18N1C26117.3°118.8°
C18N1C5118.9°118.7°
N1C18H10105.9°109.5°
C12C11C10120.1°119.9°
C11C12C7120.5°120.0°
C12C11H16120.0°120.1°
C11C12H17119.8°120.0°
C11C10CL1120.5°120.0°
C11C10C9120.6°120.0°
C10C11H16120.0°120.0°
C12C7C26119.3°120.0°
C12C7C8118.5°120.1°
C7C12H17119.8°120.0°
C26N1C5123.8°122.5°
N1C26C7117.5°109.4°
N1C26C19112.5°110.0°
N1C26H13103.8°109.4°
N1C5O1123.0°118.9°
N1C5C4118.9°122.3°
CL1C10C9118.9°120.0°
C10C9C8119.2°120.0°
C10C9H15120.4°120.0°
C26C7C8122.1°120.0°
C7C26C19114.0°109.4°
C7C26H13103.6°109.3°
C7C8C9121.2°120.0°
C7C8H14119.4°120.0°
C26C19O6113.7°108.7°
C26C19C6114.9°109.6°
C26C19H5103.5°109.7°
C19C26H13103.4°109.4°
O1C5C4118.2°118.8°
C5C4O6114.8°109.8°
C5C4C21109.4°109.4°
C5C4H6105.5°109.3°
C9C8H14119.4°120.0°
C8C9H15120.4°120.0°
C14C13C6119.7°120.0°
C13C14C15121.1°120.0°
C13C14H3119.4°120.0°
C14C13H4120.2°120.0°
C13C6C19121.5°120.0°
C13C6C17118.6°120.0°
C6C13H4120.1°120.0°
C14C15C16118.9°120.0°
C14C15H2120.6°120.0°
C15C14H3119.4°120.0°
O6C19C6114.5°109.6°
C19O6C4116.2°113.0°
O6C19H5104.6°109.6°
C19C6C17119.8°120.0°
C6C19H5103.7°109.6°
O6C4C21114.0°109.4°
O6C4H6106.7°109.4°
C4C21C23114.9°109.4°
C21C4H6105.6°109.4°
C4C21H7108.1°109.5°
C4C21H8108.1°109.5°
C6C17C16120.5°120.0°
C6C17H1119.8°120.0°
C15C16C17121.2°120.0°
C15C16CL2114.3°120.0°
C16C15H2120.5°120.0°
C17C16CL2124.5°120.0°
C16C17H1119.8°120.0°
C21C23O2125.0°120.0°
C21C23O3110.8°120.0°
C23C21H7108.1°109.5°
C23C21H8108.1°109.5°
O2C23O3124.2°120.0°
C23O3H9109.5°117.0°
H7C21H8109.4°109.5°
H11C20H12109.5°109.5°
H18C1H19109.5°109.5°
H20C2H21109.5°109.5°
H20C2H22109.5°109.5°
H21C2H22109.4°109.5°
H23C22H24109.5°109.5°
H23C22H25109.5°109.5°
H24C22H25109.4°109.4°
H26C24H27109.5°109.5°
H26C24H28109.5°109.5°
H27C24H28109.5°109.5°
H29C25H30109.5°109.4°
H29C25H31109.4°109.5°
H30C25H31109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C25C3C22C24126.6°120.0°
C25C3C22S1114.3°120.0°
C25C3C24S1120.9°120.0°
C25C3S1O442.5°65.5°
C25C3S1C2072.7°180.0°
C25C3S1O5173.5°65.5°
C25C3C22H23180.0°60.0°
C25C3C22H2460.0°60.0°
C25C3C22H2560.0°180.0°
C25C3C24H26180.0°60.0°
C25C3C24H2760.0°60.0°
C25C3C24H2860.0°180.0°
C3C25H29H30120.0°120.0°
C3C25H29H31120.0°120.0°
C3C25H30H31120.0°120.0°
C22C3C24S1115.3°120.0°
C22C3S1O474.1°174.5°
C22C3S1C20170.8°60.0°
C22C3S1O557.0°54.5°
C3C22H23H24120.0°120.0°
C3C22H23H25120.0°120.0°
C3C22H24H25120.0°120.0°
C22C3C24H2656.1°180.0°
C22C3C24H2763.8°60.0°
C22C3C24H28176.1°60.0°
C22C3C25H29180.0°180.0°
C22C3C25H3060.0°60.0°
C22C3C25H3160.0°60.0°
C24C3S1O4168.0°54.5°
C24C3S1C2052.9°60.0°
C24C3S1O560.9°174.5°
C24C3C22H2353.4°60.0°
C24C3C22H24173.4°180.0°
C24C3C22H2566.6°60.0°
C3C24H26H27120.0°120.0°
C3C24H26H28120.0°120.0°
C3C24H27H28120.0°119.9°
C24C3C25H2956.5°60.0°
C24C3C25H3063.5°180.0°
C24C3C25H31176.5°60.0°
C3S1O4C20110.9°110.1°
C3S1O4O5123.9°124.9°
C3S1C20O5114.5°114.5°
C3S1C20C18161.2°177.4°
C3S1C20H1178.6°57.3°
C3S1C20H1241.0°62.6°
S1C3C22H2365.7°180.0°
S1C3C22H2454.3°60.0°
S1C3C22H25174.3°60.0°
S1C3C24H2659.1°60.0°
S1C3C24H27179.1°179.9°
S1C3C24H2860.9°60.0°
S1C3C25H2966.8°60.0°
S1C3C25H30173.2°60.0°
S1C3C25H3153.2°180.0°
O4S1C20O5132.4°131.0°
O4S1C20C1848.1°68.1°
O4S1C20H11168.4°171.8°
O4S1C20H1272.1°51.8°
S1C20C18H11120.2°120.0°
S1C20C18H12120.2°120.0°
S1C20C18C1173.3°178.8°
S1C20C18N155.8°58.8°
S1C20C18H1059.1°61.2°
S1C20H11H12119.4°120.0°
O5S1C20C1884.3°62.9°
O5S1C20H1136.0°57.1°
O5S1C20H12155.6°177.1°
C20C18C1C275.6°179.8°
C20C18C1N1130.4°120.0°
C20C18C1H10114.3°120.0°
C20C18N1H10114.6°120.0°
C20C18N1C26115.5°87.2°
C20C18N1C562.2°92.8°
C18C20H11H12119.4°120.0°
C20C18C1H1845.2°60.2°
C20C18C1H19163.6°59.8°
C2C1C18H18120.8°120.0°
C2C1C18H19120.8°120.0°
C2C1C18N1154.0°60.2°
C2C1C18H1038.7°59.8°
C2C1H18H19117.6°120.0°
C1C2H20H21120.0°120.0°
C1C2H20H22120.0°120.0°
C1C2H21H22120.0°120.0°
C1C18N1H10114.8°120.0°
C1C18N1C26113.9°32.8°
C1C18N1C568.4°147.2°
C1C18C20H1166.5°61.1°
C1C18C20H1253.1°58.9°
C18C1H18H19117.6°120.0°
C18C1C2H20180.0°55.4°
C18C1C2H2160.0°64.6°
C18C1C2H2260.0°175.4°
C18N1C26C5177.6°180.0°
C18N1C26C741.8°41.5°
C18N1C26C19177.1°161.7°
C18N1C5O19.9°1.8°
C18N1C5C4169.8°178.1°
N1C18C20H1164.4°178.9°
N1C18C20H12176.0°61.1°
C18N1C26H1371.8°78.2°
N1C18C1H1885.2°59.8°
N1C18C1H1933.2°179.8°
C12C11C10H16180.0°179.4°
C11C12C7H17180.0°179.4°
C12C11C10CL1176.7°179.7°
C12C11C10C90.6°0.3°
C11C12C7C26179.6°179.7°
C11C12C7C80.4°0.6°
C10C11C12C70.0°0.6°
C11C10CL1C9177.4°180.0°
C11C10C9C80.7°0.0°
C11C10C9H15179.3°180.0°
C10C11C12H17180.0°180.0°
C12C7C26N1116.6°60.7°
C12C7C26C8179.9°179.7°
C12C7C26C19108.7°59.8°
C12C7C8C90.3°0.3°
C12C7C26H132.9°179.5°
C12C7C8H14179.6°179.8°
C7C12C11H16180.0°180.0°
N1C26C7C19134.7°120.5°
N1C26C7H13113.7°119.7°
N1C26C7C863.4°119.5°
N1C26C19H13111.4°120.1°
C26N1C5O1172.6°178.1°
C26N1C5C47.7°1.9°
N1C26C19O635.3°49.1°
N1C26C19C6170.1°168.9°
N1C26C19H577.6°70.7°
C26N1C18H100.9°152.8°
C5N1C26C7140.6°138.5°
C5N1C26C195.3°18.4°
N1C5O1C4179.7°180.0°
N1C5C4O68.8°15.9°
N1C5C4C21120.8°104.2°
N1C5C4H6126.0°136.0°
C5N1C18H10176.8°27.2°
C5N1C26H13105.8°101.8°
CL1C10C9C8176.7°180.0°
CL1C10C9H153.3°0.0°
CL1C10C11H163.3°0.3°
C10C9C8C70.2°0.0°
C10C9C8H15180.0°180.0°
C10C9C8H14179.8°180.0°
C9C10C11H16179.4°179.8°
C7C26C19H13111.7°119.7°
C26C7C8C9179.7°180.0°
C7C26C19O6172.3°169.3°
C7C26C19C652.9°70.9°
C7C26C19H559.4°49.5°
C26C7C8H140.3°0.0°
C26C7C12H170.4°0.3°
C8C7C26C1971.3°119.9°
C7C8C9H14180.0°179.9°
C8C7C26H13177.2°0.2°
C7C8C9H15179.8°180.0°
C8C7C12H17179.5°180.0°
C26C19C6C1384.2°95.8°
C26C19O6C6135.0°119.8°
C26C19O6H5112.2°119.9°
C26C19C6H5112.2°120.5°
C26C19O6C454.3°68.4°
C26C19C6C1793.5°83.6°
O1C5C4O6170.9°164.1°
O1C5C4C2159.5°75.8°
O1C5C4H653.7°44.0°
C5C4O6C1940.4°49.6°
C5C4O6C21127.3°120.1°
C5C4O6H6116.5°120.0°
C5C4C21H6113.1°119.7°
C5C4C21C23163.8°174.6°
C5C4C21H742.9°54.6°
C5C4C21H875.4°65.4°
C14C13C6H4180.0°179.7°
C13C14C15H3180.0°179.9°
C14C13C6C19177.5°180.0°
C14C13C6C170.2°0.6°
C13C14C15C160.3°0.1°
C13C14C15H2179.7°179.9°
C6C13C14C150.3°0.4°
C13C6C19O650.3°145.0°
C13C6C19C17177.7°179.4°
C13C6C17C160.6°0.6°
C13C6C17H1179.3°179.7°
C6C13C14H3179.7°179.7°
C13C6C19H5163.7°24.7°
C14C15C16H2180.0°180.0°
C14C15C16C170.2°0.0°
C14C15C16CL2178.6°179.9°
C15C14C13H4179.7°179.9°
O6C19C6H5113.4°120.3°
C19O6C4C2186.9°70.5°
O6C19C6C17132.1°35.6°
C19O6C4H6156.9°169.6°
O6C19C26H1376.0°71.0°
C6C19O6C4170.7°171.9°
C19C6C17C16177.1°180.0°
C19C6C17H12.9°0.3°
C19C6C13H42.5°0.3°
C6C19C26H1358.7°48.8°
O6C4C21H6116.8°119.9°
O6C4C21C2366.1°65.0°
C4O6C19H557.9°51.5°
O6C4C21H7173.1°175.0°
O6C4C21H854.7°55.0°
C4C21C23H7120.8°120.0°
C4C21C23H8120.8°120.0°
C4C21C23O271.2°0.0°
C4C21C23O3108.9°179.9°
C4C21H7H8117.5°120.0°
C6C17C16C150.6°0.3°
C6C17C16H1180.0°179.7°
C6C17C16CL2178.0°179.7°
C17C6C13H4179.9°179.7°
C17C6C19H518.7°155.9°
C15C16C17CL2178.6°180.0°
C15C16C17H1179.3°180.0°
C16C15C14H3179.7°180.0°
C17C16C15H2179.9°180.0°
CL2C16C17H12.0°0.0°
CL2C16C15H21.4°0.0°
C21C23O2O3179.9°179.9°
C23C21C4H650.6°54.9°
C23C21H7H8117.6°120.0°
C21C23O3H9180.0°180.0°
O2C23C21H749.7°120.0°
O2C23C21H8168.0°120.0°
O2C23O3H90.0°0.1°
O3C23C21H7130.3°60.1°
O3C23C21H811.9°60.0°
H2C15C14H30.4°0.0°
H3C14C13H40.4°0.0°
H5C19C26H13171.0°169.2°
H6C4C21H770.2°65.1°
H6C4C21H8171.5°174.9°
H10C18C20H11179.4°58.9°
H10C18C20H1261.1°178.9°
H10C18C1H18159.5°179.8°
H10C18C1H1982.1°60.2°
H14C8C9H150.2°0.1°
H16C11C12H170.0°0.6°
H18C1C2H2059.2°175.4°
H18C1C2H2160.8°55.4°
H18C1C2H22179.2°64.6°
H19C1C2H2059.2°64.6°
H19C1C2H21179.2°175.4°
H19C1C2H2260.8°55.4°
H20C2H21H22120.0°120.0°
H23C22H24H25120.0°120.0°
H26C24H27H28120.0°120.0°
H29C25H30H31120.0°120.0°

222415

PDB entries from 2024-07-10

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