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QE8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O3C3sing1.43Å1.48Å
O2C2sing1.43Å1.40Å
C2C3sing1.53Å1.53Å
C2C1sing1.53Å1.53Å
C3C4sing1.53Å1.53Å
C4O41sing1.43Å1.43Å
C4C51sing1.53Å1.55Å
C1C71sing1.53Å1.54Å
C71C51sing1.53Å1.53Å
C71O8sing1.43Å1.45Å
C51C61sing1.53Å1.52Å
C61O6sing1.43Å1.44Å
O6C11sing1.43Å1.42Å
C6C5sing1.53Å1.49Å
C6O61sing1.43Å1.42Å
C5C7sing1.53Å1.53Å
C5C41sing1.53Å1.55Å
C7C11sing1.53Å1.50Å
C11C21sing1.53Å1.54Å
O4C41sing1.43Å1.45Å
C41C31sing1.53Å1.53Å
C31C21sing1.53Å1.53Å
C31O31sing1.43Å1.44Å
C21O21sing1.43Å1.45Å
O3H1sing0.97Å0.95Å
C4H2sing1.09Å1.10Å
C5H3sing1.09Å1.10Å
O4H4sing0.97Å0.95Å
C6H5sing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C7H7sing1.09Å1.10Å
C7H8sing1.09Å1.10Å
C11H9sing1.09Å1.10Å
O8H10sing0.97Å0.95Å
C1H11sing1.09Å1.10Å
C1H12sing1.09Å1.10Å
C51H13sing1.09Å1.10Å
C61H14sing1.09Å1.10Å
C61H15sing1.09Å1.10Å
O61H16sing0.97Å0.95Å
C41H17sing1.09Å1.10Å
O41H18sing0.97Å0.95Å
C3H19sing1.09Å1.10Å
C31H20sing1.09Å1.10Å
O31H21sing0.97Å0.95Å
C2H22sing1.09Å1.10Å
C21H23sing1.09Å1.10Å
O2H24sing0.97Å0.95Å
O21H25sing0.97Å0.95Å
C71H26sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O3C3C2107.6°109.5°
O3C3C4111.2°109.5°
C3O3H1109.5°114.0°
O3C3H19109.5°109.5°
O2C2C3112.8°109.4°
O2C2C1110.2°109.5°
O2C2H22109.3°109.5°
C2O2H24109.5°114.0°
C3C2C1109.2°109.5°
C2C3C4110.6°109.4°
C2C3H19108.9°109.4°
C3C2H22107.6°109.4°
C2C1C71109.5°109.5°
C2C1H11109.5°109.5°
C2C1H12109.5°109.4°
C1C2H22107.6°109.5°
C3C4O41105.9°109.4°
C3C4C51112.5°109.5°
C3C4H2110.0°109.5°
C4C3H19108.9°109.5°
O41C4C51107.3°109.5°
O41C4H2111.4°109.5°
C4O41H18109.5°114.0°
C4C51C71107.9°109.5°
C4C51C61109.1°109.5°
C51C4H2109.8°109.5°
C4C51H13107.9°109.5°
C1C71C51114.2°109.5°
C1C71O8105.3°109.5°
C71C1H11109.5°109.5°
C71C1H12109.5°109.5°
C1C71H26108.6°109.5°
C51C71O8110.1°109.5°
C71C51C61115.3°109.5°
C71C51H13108.2°109.5°
C51C71H26108.7°109.4°
C71O8H10109.5°114.0°
O8C71H26109.8°109.5°
C51C61O6106.8°109.5°
C61C51H13108.2°109.4°
C51C61H14110.1°109.4°
C51C61H15110.1°109.4°
C61O6C11119.3°114.0°
O6C61H14110.1°109.5°
O6C61H15110.1°109.5°
O6C11C7109.4°109.4°
O6C11C21105.6°109.4°
O6C11H9110.5°109.5°
C5C6O61111.7°109.4°
C6C5C7105.6°109.5°
C6C5C41111.1°109.4°
C6C5H3110.1°109.5°
C5C6H5108.9°109.5°
C5C6H6108.9°109.5°
O61C6H5108.9°109.5°
O61C6H6108.9°109.4°
C6O61H16109.5°114.0°
C7C5C41111.1°109.5°
C5C7C11112.3°109.5°
C7C5H3109.6°109.4°
C5C7H7108.7°109.5°
C5C7H8108.8°109.4°
C5C41O4107.4°109.5°
C5C41C31113.4°109.5°
C41C5H3109.3°109.5°
C5C41H17107.5°109.4°
C7C11C21113.0°109.5°
C11C7H7108.8°109.5°
C11C7H8108.8°109.4°
C7C11H9109.4°109.5°
C11C21C31109.5°109.5°
C11C21O21111.0°109.5°
C21C11H9108.9°109.5°
C11C21H23107.5°109.5°
O4C41C31111.8°109.5°
C41O4H4109.5°114.0°
O4C41H17108.8°109.5°
C41C31C21108.7°109.5°
C41C31O31110.6°109.5°
C31C41H17107.8°109.5°
C41C31H20108.1°109.5°
C21C31O31111.9°109.5°
C31C21O21112.4°109.5°
C21C31H20108.1°109.5°
C31C21H23107.6°109.5°
O31C31H20109.2°109.5°
C31O31H21109.5°114.0°
O21C21H23108.6°109.4°
C21O21H25109.5°114.0°
H5C6H6109.5°109.6°
H7C7H8109.5°109.5°
H11C1H12109.5°109.5°
H14C61H15109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O3C3C2O258.2°60.0°
O3C3C2C4121.7°120.0°
O3C3C2H19118.6°120.0°
O3C3C2C1178.9°180.0°
O3C3C4H19120.8°120.0°
O3C3C4O4164.9°60.0°
O3C3C4C51178.2°180.0°
O3C3C4H255.5°60.0°
O3C3C2H2262.4°59.9°
O2C2C3C1122.9°120.0°
O2C2C3H22120.6°120.0°
O2C2C1H22119.1°120.0°
O2C2C3C463.5°60.0°
O2C2C1C7166.6°60.0°
O2C2C1H1153.4°60.0°
O2C2C1H12173.4°180.0°
O2C2C3H19176.8°180.0°
C3C2C1H22116.5°120.0°
C2C3C4H19119.7°119.9°
C2C3C4O41175.5°179.9°
C2C3C4C5158.6°60.0°
C3C2C1C7157.9°60.0°
C2C3O3H1180.0°60.0°
C2C3C4H264.0°60.1°
C3C2C1H11177.8°180.0°
C3C2C1H1262.1°60.0°
C3C2O2H24180.0°180.0°
C1C2C3C459.4°60.0°
C2C1C71H11120.0°120.0°
C2C1C71H12120.0°120.0°
C2C1C71C5157.7°60.0°
C2C1C71O8178.6°180.0°
C2C1H11H12120.0°120.0°
C1C2C3H1960.3°60.0°
C1C2O2H2457.6°60.0°
C2C1C71H2663.8°60.0°
C3C4O41C51120.3°120.0°
C3C4O41H2119.6°120.0°
C3C4C51H2122.8°120.1°
C3C4C51C7154.1°60.0°
C3C4C51C61180.0°180.0°
C4C3O3H158.7°180.0°
C3C4C51H1362.6°60.0°
C3C4O41H18180.0°60.0°
C4C3C2H22175.9°180.0°
O41C4C51H2121.1°120.0°
O41C4C51C71170.2°180.0°
O41C4C51C6163.9°60.0°
O41C4C51H1353.5°59.9°
O41C4C3H1955.8°60.0°
C4C51C71C154.3°60.0°
C4C51C71C61122.2°120.0°
C4C51C71H13116.5°120.0°
C4C51C71O8172.4°180.0°
C4C51C61H13117.2°120.0°
C4C51C61O6172.5°175.0°
C4C51C61H1467.9°65.0°
C4C51C61H1552.9°55.0°
C51C4O41H1859.7°180.0°
C51C4C3H1961.1°60.0°
C4C51C71H2667.2°60.0°
C1C71C51O8118.1°120.0°
C1C71C51H26121.5°120.0°
C1C71O8H26116.8°120.0°
C1C71C51C61176.5°180.0°
C1C71O8H10180.0°60.0°
C71C1H11H12120.0°120.0°
C1C71C51H1362.2°60.0°
C71C1C2H22174.3°180.0°
C51C71O8H26119.7°119.9°
C71C51C61H13121.2°120.0°
C71C51C61O651.0°65.0°
C71C51C4H268.6°60.1°
C51C71O8H1056.5°180.0°
C51C71C1H11177.7°180.0°
C51C71C1H1262.3°60.0°
C71C51C61H14170.6°55.0°
C71C51C61H1568.6°175.0°
O8C71C51C6165.3°60.0°
O8C71C1H1161.4°60.0°
O8C71C1H1258.6°60.0°
O8C71C51H1355.9°60.0°
C51C61O6H14119.6°120.0°
C51C61O6H15119.6°120.0°
C51C61O6C11132.2°180.0°
C61C51C4H257.3°60.0°
C51C61H14H15121.2°120.0°
C61C51C71H2655.0°60.0°
C61O6C11C768.6°150.0°
C61O6C11C21169.5°90.1°
C61O6C11H951.9°29.9°
O6C61C51H1370.2°55.0°
O6C61H14H15121.2°120.0°
O6C11C7C563.7°60.0°
O6C11C7C21117.3°119.9°
O6C11C7H9121.2°120.0°
O6C11C21H9118.7°120.0°
O6C11C21C3160.7°60.0°
O6C11C21O21174.6°180.0°
O6C11C7H756.7°60.1°
O6C11C7H8175.9°180.0°
C11O6C61H1412.6°60.0°
C11O6C61H15108.2°60.1°
O6C11C21H2355.9°60.1°
C5C6O61H5120.3°120.0°
C5C6O61H6120.3°119.9°
C6C5C7C41120.6°120.0°
C6C5C7H3118.5°120.0°
C6C5C41H3121.6°120.0°
C6C5C7C11169.4°179.9°
C6C5C41O466.8°60.0°
C6C5C41C31169.2°180.0°
C5C6H5H6119.0°120.1°
C6C5C7H770.2°60.0°
C6C5C7H848.9°60.0°
C5C6O61H16180.0°180.0°
C6C5C41H1750.1°60.0°
O61C6C5C757.6°65.0°
O61C6C5C4163.0°175.0°
O61C6C5H3175.8°55.0°
O61C6H5H6119.0°120.0°
C7C5C41H3121.1°120.0°
C5C7C11H7120.4°120.1°
C5C7C11H8120.4°119.9°
C5C7C11C2153.6°59.9°
C7C5C41O4175.9°179.9°
C7C5C41C3152.0°60.0°
C7C5C6H562.7°175.1°
C7C5C6H6177.9°54.9°
C5C7H7H8118.7°120.0°
C5C7C11H9175.1°180.0°
C7C5C41H1767.1°60.0°
C41C5C7C1148.8°59.9°
C5C41O4C31125.0°120.0°
C5C41O4H17116.1°120.0°
C5C41C31H17118.9°119.9°
C5C41C31C2157.2°60.0°
C5C41C31O31179.4°180.0°
C5C41O4H4180.0°180.0°
C41C5C6H5176.7°55.0°
C41C5C6H657.3°65.1°
C41C5C7H7169.2°180.0°
C41C5C7H871.7°60.0°
C5C41C31H2059.9°60.0°
C7C11C21H9121.8°120.1°
C7C11C21C3158.8°60.0°
C7C11C21O2165.9°60.0°
C11C7C5H372.1°60.0°
C11C7H7H8118.7°120.0°
C7C11C21H23175.5°180.0°
C11C21C31C4158.9°60.0°
C11C21C31O21123.9°120.0°
C11C21C31H23116.6°120.0°
C11C21C31O31178.6°180.0°
C11C21O21H23118.0°120.0°
C21C11C7H7174.1°180.0°
C21C11C7H866.8°60.0°
C11C21C31H2058.2°60.0°
C11C21O21H25180.0°179.9°
O4C41C31H17119.5°120.0°
O4C41C31C21178.8°180.0°
O4C41C31O3157.9°60.0°
O4C41C5H354.8°60.0°
O4C41C31H2061.7°60.0°
C41C31C21O31122.5°120.0°
C41C31C21H20117.1°120.0°
C41C31O31H20118.9°120.0°
C41C31C21O2165.0°60.0°
C31C41C5H369.1°60.0°
C31C41O4H455.1°60.0°
C41C31O31H21180.0°180.0°
C41C31C21H23175.5°180.0°
C21C31O31H20119.7°120.0°
C31C21O21H23119.0°120.0°
C31C21C11H9179.4°179.9°
C21C31C41H1761.7°60.0°
C21C31O31H2158.6°60.0°
C31C21O21H2557.0°60.0°
O31C31C21O2157.5°60.0°
O31C31C41H1761.6°60.0°
O31C31C21H2362.0°60.0°
O21C21C11H955.9°60.0°
O21C21C31H20177.9°180.0°
H1O3C3H1961.8°60.0°
H2C4C51H13174.7°179.9°
H2C4O41H1860.4°60.0°
H2C4C3H19176.3°180.0°
H3C5C6H555.5°65.0°
H3C5C6H663.9°174.9°
H3C5C7H748.3°60.0°
H3C5C7H8167.5°180.0°
H3C5C41H17171.8°180.0°
H4O4C41H1763.9°60.0°
H5C6O61H1659.7°60.0°
H6C6O61H1659.7°60.1°
H7C7C11H964.5°59.9°
H8C7C11H954.7°60.1°
H9C11C21H2362.8°59.9°
H10O8C71H2663.2°60.0°
H11C1C2H2265.7°60.0°
H11C1C71H2656.1°60.0°
H12C1C2H2254.3°60.0°
H12C1C71H26176.2°179.9°
H13C51C61H1449.4°175.0°
H13C51C61H15170.2°65.0°
H13C51C71H26176.3°180.0°
H17C41C31H20178.8°180.0°
H19C3C2H2256.2°60.0°
H20C31O31H2161.1°60.0°
H20C31C21H2358.4°60.0°
H22C2O2H2460.4°60.1°
H23C21O21H2562.0°59.9°

227344

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