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1V2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O2C20sing1.43Å1.43Å
C20C21sing1.53Å1.53Å
C20C19sing1.53Å1.53Å
C21C22sing1.53Å1.54Å
C19C18sing1.53Å1.55Å
C22N2sing1.47Å1.49Å
C18N2sing1.47Å1.49Å
C18C23sing1.53Å1.54Å
N2C8sing1.47Å1.48Å
O1C23sing1.43Å1.43Å
C8C7sing1.53Å1.54Å
C7C6sing1.51Å1.54Å
C6C5doub1.38Å1.39ÅAromatic
C6C4sing1.38Å1.40ÅAromatic
C5C3sing1.38Å1.39ÅAromatic
C4C2doub1.38Å1.40ÅAromatic
C3C1doub1.39Å1.39ÅAromatic
C2C1sing1.39Å1.40ÅAromatic
C1N1sing1.40Å1.34Å
N1C9sing1.39Å1.34Å
C9N3doub1.30Å1.33ÅAromatic
C9S1sing1.76Å1.66ÅAromatic
N3C11sing1.33Å1.35ÅAromatic
CL1C14sing1.74Å1.72Å
C13C14doub1.38Å1.39ÅAromatic
C13C12sing1.39Å1.39ÅAromatic
S1C10sing1.76Å1.68ÅAromatic
C11C12sing1.48Å1.39Å
C11C10doub1.34Å1.34ÅAromatic
C14C15sing1.39Å1.39ÅAromatic
C12C17doub1.39Å1.40ÅAromatic
C15CL2sing1.74Å1.73Å
C15C16doub1.38Å1.39ÅAromatic
C17C16sing1.38Å1.40ÅAromatic
C13H1sing1.08Å1.08Å
C16H2sing1.08Å1.08Å
C17H3sing1.08Å1.08Å
C10H4sing1.08Å1.08Å
N1H5sing0.97Å1.00Å
C3H6sing1.08Å1.08Å
C5H7sing1.08Å1.08Å
C2H8sing1.08Å1.08Å
C4H9sing1.08Å1.08Å
C7H10sing1.09Å1.10Å
C7H11sing1.09Å1.10Å
C8H12sing1.09Å1.10Å
C8H13sing1.09Å1.10Å
C22H15sing1.09Å1.10Å
C22H16sing1.09Å1.10Å
C21H17sing1.09Å1.10Å
C21H18sing1.09Å1.10Å
C20H19sing1.09Å1.10Å
O2H20sing0.97Å0.95Å
C19H21sing1.09Å1.10Å
C19H22sing1.09Å1.10Å
C18H23sing1.09Å1.10Å
C23H24sing1.09Å1.10Å
C23H25sing1.09Å1.10Å
O1H26sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2C20C21110.0°109.5°
O2C20C19110.0°109.5°
O2C20H19110.1°109.6°
C20O2H20109.5°114.0°
C21C20C19109.1°109.2°
C20C21C22109.4°109.3°
C20C21H17109.5°109.5°
C20C21H18109.5°109.6°
C21C20H19108.7°109.5°
C20C19C18110.8°109.3°
C19C20H19108.7°109.5°
C20C19H21109.1°109.6°
C20C19H22109.1°109.5°
C21C22N2111.3°109.5°
C21C22H15109.0°109.4°
C21C22H16109.0°109.4°
C22C21H17109.5°109.5°
C22C21H18109.5°109.5°
C19C18N2112.1°109.5°
C19C18C23109.0°109.5°
C18C19H21109.1°109.5°
C18C19H22109.1°109.5°
C19C18H23107.8°109.4°
C22N2C18111.7°111.2°
C22N2C8109.3°111.0°
N2C22H15109.0°109.4°
N2C22H16109.0°109.6°
N2C18C23111.4°109.5°
C18N2C8109.3°111.0°
N2C18H23108.5°109.5°
C18C23O1111.6°109.5°
C23C18H23107.9°109.5°
C18C23H24108.9°109.5°
C18C23H25108.9°109.4°
N2C8C7112.0°109.5°
N2C8H12108.8°109.5°
N2C8H13108.8°109.5°
O1C23H24108.9°109.5°
O1C23H25108.9°109.5°
C23O1H26109.5°114.0°
C8C7C6112.9°109.5°
C8C7H10108.6°109.5°
C8C7H11108.6°109.4°
C7C8H12108.8°109.5°
C7C8H13108.8°109.4°
C7C6C5119.0°119.9°
C7C6C4121.5°119.9°
C6C7H10108.6°109.5°
C6C7H11108.6°109.5°
C5C6C4119.5°120.2°
C6C5C3120.3°120.1°
C6C5H7119.8°120.0°
C6C4C2120.2°120.1°
C6C4H9119.9°119.9°
C5C3C1120.6°119.9°
C5C3H6119.7°120.1°
C3C5H7119.9°119.9°
C4C2C1120.2°119.9°
C4C2H8119.9°120.0°
C2C4H9119.9°120.0°
C3C1C2119.3°119.9°
C3C1N1117.4°120.1°
C1C3H6119.7°120.1°
C2C1N1123.4°120.0°
C1C2H8119.9°120.1°
C1N1C9127.8°120.0°
C1N1H5116.1°120.0°
N1C9N3128.4°125.3°
N1C9S1123.9°125.3°
C9N1H5116.1°120.0°
N3C9S1107.7°109.4°
C9N3C11115.3°116.8°
C9S1C1095.6°90.1°
N3C11C12122.6°122.3°
N3C11C10114.3°115.3°
CL1C14C13119.9°119.9°
CL1C14C15119.3°120.0°
C14C13C12119.4°119.9°
C13C14C15120.8°120.1°
C14C13H1120.3°120.1°
C13C12C11118.7°120.1°
C13C12C17120.0°119.8°
C12C13H1120.3°120.0°
S1C10C11107.2°108.3°
S1C10H4126.4°125.8°
C12C11C10123.1°122.4°
C11C12C17121.3°120.1°
C11C10H4126.4°125.9°
C14C15CL2118.4°119.8°
C14C15C16120.4°120.2°
C12C17C16120.5°119.9°
C12C17H3119.8°120.1°
CL2C15C16121.2°119.9°
C15C16C17119.0°120.2°
C15C16H2120.5°119.9°
C17C16H2120.5°119.9°
C16C17H3119.8°120.1°
H10C7H11109.5°109.5°
H12C8H13109.5°109.5°
H15C22H16109.5°109.4°
H17C21H18109.5°109.5°
H21C19H22109.5°109.5°
H24C23H25109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2C20C21C19120.8°119.9°
O2C20C21H19120.7°120.2°
O2C20C19H19120.7°120.2°
O2C20C21C22179.8°177.6°
O2C20C19C18177.2°177.6°
O2C20C21H1760.2°57.7°
O2C20C21H1859.9°62.4°
O2C20C19H2157.0°57.6°
O2C20C19H2262.6°62.5°
C21C20C19H19118.5°119.9°
C20C21C22H17120.0°119.9°
C20C21C22H18120.0°120.0°
C21C20C19C1856.4°57.7°
C20C21C22N259.7°59.2°
C20C21C22H1560.5°179.2°
C20C21C22H16180.0°60.9°
C20C21H17H18120.0°120.1°
C21C20O2H20180.0°60.0°
C21C20C19H2163.8°62.3°
C21C20C19H22176.6°177.6°
C19C20C21C2259.0°57.6°
C20C19C18H21120.2°120.0°
C20C19C18H22120.2°119.9°
C20C19C18N254.0°59.2°
C20C19C18C23177.7°179.2°
C19C20C21H17179.0°62.3°
C19C20C21H1861.0°177.6°
C19C20O2H2059.7°179.7°
C20C19H21H22119.4°120.1°
C20C19C18H2365.4°60.8°
C21C22N2H15120.3°120.0°
C21C22N2H16120.3°120.0°
C21C22N2C1856.9°61.8°
C21C22N2C8178.0°174.2°
C21C22H15H16119.2°119.9°
C22C21H17H18120.0°120.1°
C22C21C20H1959.5°62.3°
C19C18N2C2253.8°61.8°
C19C18N2C23122.4°120.0°
C19C18N2H23119.0°120.0°
C19C18C23H23116.9°120.0°
C19C18N2C8174.9°174.2°
C19C18C23O154.5°56.8°
C18C19C20H1962.1°62.2°
C18C19H21H22119.4°120.0°
C19C18C23H2465.8°63.3°
C19C18C23H25174.8°176.7°
C22N2C18C8121.1°124.0°
C22N2C18C23176.2°178.2°
C22N2C8C749.8°64.6°
C22N2C8H12170.2°55.4°
C22N2C8H1370.6°175.5°
N2C22H15H16119.2°120.1°
N2C22C21H17179.7°60.7°
N2C22C21H1860.3°179.2°
C22N2C18H2365.2°58.2°
N2C18C23H23119.0°120.0°
N2C18C23O169.6°63.3°
C18N2C8C7172.3°171.3°
C18N2C8H1267.3°68.7°
C18N2C8H1351.9°51.3°
C18N2C22H1563.4°178.3°
C18N2C22H16177.2°58.3°
N2C18C19H2166.2°60.8°
N2C18C19H22174.2°179.1°
N2C18C23H24170.1°176.7°
N2C18C23H2550.7°56.7°
C23C18N2C862.7°54.2°
C18C23O1H24120.3°120.1°
C18C23O1H25120.3°119.9°
C23C18C19H2157.5°59.2°
C23C18C19H2262.1°60.9°
C18C23H24H25119.1°119.9°
C18C23O1H26180.0°180.0°
N2C8C7H12120.4°120.1°
N2C8C7H13120.4°120.0°
N2C8C7C6163.2°179.9°
N2C8C7H1076.4°59.9°
N2C8C7H1142.7°60.0°
N2C8H12H13118.8°120.0°
C8N2C22H1557.7°54.2°
C8N2C22H1661.7°65.8°
C8N2C18H2355.9°65.8°
O1C23C18H23171.4°176.7°
O1C23H24H25119.0°120.0°
C8C7C6H10120.5°120.0°
C8C7C6H11120.5°120.0°
C8C7C6C5131.5°90.0°
C8C7C6C448.5°89.8°
C8C7H10H11118.4°119.9°
C7C8H12H13118.8°119.9°
C7C6C5C4179.9°179.8°
C7C6C5C3179.9°180.0°
C7C6C4C2179.9°180.0°
C7C6C5H70.1°0.0°
C7C6C4H90.1°0.1°
C6C7H10H11118.4°120.1°
C6C7C8H1242.8°60.0°
C6C7C8H1376.5°60.0°
C6C5C3H7180.0°180.0°
C5C6C4C20.2°0.2°
C6C5C3C10.0°0.0°
C6C5C3H6180.0°180.0°
C5C6C4H9179.8°179.7°
C5C6C7H10108.0°150.0°
C5C6C7H1111.0°29.9°
C4C6C5C30.2°0.3°
C6C4C2H9180.0°180.0°
C6C4C2C10.1°0.0°
C4C6C5H7179.8°179.7°
C6C4C2H8179.9°180.0°
C4C6C7H1072.0°30.2°
C4C6C7H11169.0°150.3°
C5C3C1H6180.0°180.0°
C5C3C1C20.3°0.3°
C5C3C1N1179.4°180.0°
C4C2C1C30.3°0.3°
C4C2C1H8180.0°180.0°
C4C2C1N1179.4°180.0°
C3C1C2N1179.1°179.7°
C3C1N1C9165.8°36.8°
C3C1N1H514.2°143.1°
C1C3C5H7180.0°180.0°
C3C1C2H8179.7°179.7°
C2C1N1C915.2°143.5°
C2C1N1H5164.9°36.6°
C2C1C3H6179.7°179.7°
C1C2C4H9179.9°180.0°
C1N1C9H5180.0°179.9°
C1N1C9N310.7°173.2°
C1N1C9S1170.1°6.9°
N1C1C3H60.6°0.0°
N1C1C2H80.6°0.0°
N1C9N3S1179.3°179.9°
N1C9N3C11179.9°180.0°
N1C9S1C10179.7°179.9°
N3C9S1C100.3°0.0°
C9N3C11C12179.8°180.0°
C9N3C11C100.7°0.2°
N3C9N1H5169.3°6.7°
S1C9N3C110.6°0.1°
C9S1C10C110.0°0.1°
C9S1C10H4180.0°179.8°
S1C9N1H510.0°173.2°
N3C11C12C137.8°0.2°
N3C11C10S10.4°0.2°
N3C11C12C10179.0°179.8°
N3C11C12C17172.8°179.7°
N3C11C10H4179.6°179.7°
CL1C14C13C15180.0°179.9°
CL1C14C13C12179.9°180.0°
CL1C14C15CL20.0°0.0°
CL1C14C15C16179.9°180.0°
CL1C14C13H10.1°0.2°
C14C13C12H1180.0°179.8°
C14C13C12C11179.6°180.0°
C14C13C12C170.2°0.0°
C13C14C15CL2180.0°179.9°
C13C14C15C160.1°0.1°
C13C12C11C17179.4°180.0°
C13C12C11C10171.2°180.0°
C12C13C14C150.1°0.1°
C13C12C17C160.2°0.1°
C13C12C17H3179.8°180.0°
S1C10C11C12179.5°180.0°
S1C10C11H4180.0°179.9°
C11C12C17C16179.6°180.0°
C11C12C13H10.4°0.3°
C11C12C17H30.4°0.0°
C12C11C10H40.5°0.1°
C10C11C12C178.2°0.0°
C14C15CL2C16179.9°180.0°
C14C15C16C170.2°0.0°
C15C14C13H1179.9°179.7°
C14C15C16H2179.8°180.0°
C12C17C16C150.2°0.1°
C12C17C16H3180.0°180.0°
C17C12C13H1179.8°179.8°
C12C17C16H2179.8°180.0°
CL2C15C16C17179.9°180.0°
CL2C15C16H20.1°0.0°
C15C16C17H2180.0°180.0°
C15C16C17H3179.8°180.0°
H2C16C17H30.2°0.0°
H6C3C5H70.0°0.0°
H8C2C4H90.1°0.0°
H10C7C8H12163.3°NaN°
H10C7C8H1344.0°60.0°
H11C7C8H1277.7°60.0°
H11C7C8H13163.0°180.0°
H15C22C21H1759.5°59.3°
H15C22C21H18179.5°60.8°
H16C22C21H1760.0°179.2°
H16C22C21H1860.0°59.1°
H17C21C20H1960.6°177.8°
H18C21C20H19179.4°57.7°
H19C20O2H2060.1°60.2°
H19C20C19H21177.7°177.8°
H19C20C19H2258.1°57.7°
H21C19C18H23174.4°179.2°
H22C19C18H2354.8°59.1°
H23C18C23H2451.1°56.6°
H23C18C23H2568.3°63.3°
H24C23O1H2659.7°59.9°
H25C23O1H2659.7°60.1°

226262

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