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PE5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C48C50sing1.53Å1.54Å
C48H481sing1.09Å1.12Å
C48H482sing1.09Å1.11Å
C48H483sing1.09Å1.12Å
C50O1sing1.43Å1.43Å
C50H501sing1.09Å1.12Å
C50H502sing1.09Å1.11Å
O1C1sing1.43Å1.33Å
C1C2sing1.53Å1.54Å
C1H11sing1.09Å1.11Å
C1H12sing1.09Å1.12Å
C2O2sing1.43Å1.36Å
C2H21sing1.09Å1.11Å
C2H22sing1.09Å1.12Å
O2C3sing1.43Å1.42Å
C3C4sing1.53Å1.53Å
C3H31sing1.09Å1.12Å
C3H32sing1.09Å1.12Å
C4O3sing1.43Å1.45Å
C4H41sing1.09Å1.12Å
C4H42sing1.09Å1.12Å
O3C5sing1.43Å1.44Å
C5C6sing1.53Å1.51Å
C5H51sing1.09Å1.12Å
C5H52Asing1.09Å1.11Å
C6O4sing1.43Å1.45Å
C6H61sing1.09Å1.11Å
C6H62sing1.09Å1.12Å
O4C7sing1.43Å1.42Å
C7C8sing1.53Å1.53Å
C7H71sing1.09Å1.11Å
C7H72sing1.09Å1.12Å
C8O5sing1.43Å1.44Å
C8H81sing1.09Å1.12Å
C8H82sing1.09Å1.11Å
O5C9sing1.43Å1.42Å
C9C10sing1.53Å1.52Å
C9H91sing1.09Å1.11Å
C9H92sing1.09Å1.11Å
C10O6sing1.43Å1.46Å
C10H101sing1.09Å1.12Å
C10H102sing1.09Å1.11Å
O6C11sing1.43Å1.46Å
C11C12sing1.53Å1.50Å
C11H111sing1.09Å1.12Å
C11H112sing1.09Å1.12Å
C12O7sing1.43Å1.40Å
C12H121sing1.09Å1.11Å
C12H122sing1.09Å1.12Å
O7C13sing1.43Å1.44Å
C13C14sing1.53Å1.55Å
C13H131sing1.09Å1.11Å
C13H132sing1.09Å1.11Å
C14O8sing1.43Å1.46Å
C14H141sing1.09Å1.12Å
C14H142sing1.09Å1.12Å
O8C15sing1.43Å1.43Å
C15C16sing1.53Å1.54Å
C15H151sing1.09Å1.11Å
C15H152sing1.09Å1.11Å
C16O52sing1.43Å1.41Å
C16H161sing1.09Å1.12Å
C16H162sing1.09Å1.11Å
O52H52sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C50C48H481113.0°109.5°
C50C48H482107.4°109.5°
C50C48H483113.0°109.5°
C48C50O1107.4°109.5°
C48C50H501113.0°109.5°
C48C50H502113.0°109.5°
H481C48H482113.0°109.4°
H481C48H48397.5°109.4°
H482C48H483113.0°109.5°
O1C50H501113.0°109.5°
O1C50H502113.0°109.5°
C50O1C1112.3°106.8°
H501C50H50297.5°109.5°
O1C1C2115.3°109.5°
O1C1H11110.1°109.5°
O1C1H12110.1°109.4°
C2C1H11110.1°109.5°
C2C1H12110.1°109.5°
C1C2O2114.3°109.5°
C1C2H21110.4°109.4°
C1C2H22110.5°109.4°
H11C1H12100.1°109.5°
O2C2H21110.4°109.5°
O2C2H22110.4°109.5°
C2O2C3115.2°106.8°
H21C2H2299.9°109.5°
O2C3C4110.4°109.5°
O2C3H31111.9°109.4°
O2C3H32111.9°109.4°
C4C3H31111.8°109.5°
C4C3H32111.8°109.5°
C3C4O3105.7°109.5°
C3C4H41113.6°109.4°
C3C4H42113.6°109.4°
H31C3H3298.6°109.5°
O3C4H41113.7°109.5°
O3C4H42113.7°109.5°
C4O3C5108.6°106.8°
H41C4H4296.8°109.5°
O3C5C6109.1°109.5°
O3C5H51112.3°109.5°
O3C5H52A112.4°109.5°
C6C5H51112.4°109.4°
C6C5H52A112.4°109.5°
C5C6O4105.9°109.5°
C5C6H61113.6°109.5°
C5C6H62113.6°109.5°
H51C5H52A98.1°109.5°
O4C6H61113.6°109.4°
O4C6H62113.6°109.5°
C6O4C7110.1°106.8°
H61C6H6296.9°109.4°
O4C7C8105.6°109.5°
O4C7H71113.7°109.5°
O4C7H72113.7°109.5°
C8C7H71113.7°109.4°
C8C7H72113.7°109.4°
C7C8O5106.1°109.5°
C7C8H81113.5°109.5°
C7C8H82113.5°109.5°
H71C7H7296.8°109.5°
O5C8H81113.4°109.5°
O5C8H82113.4°109.5°
C8O5C9111.0°106.8°
H81C8H8297.0°109.5°
O5C9C10105.5°109.5°
O5C9H91113.7°109.5°
O5C9H92113.7°109.5°
C10C9H91113.7°109.5°
C10C9H92113.7°109.5°
C9C10O6108.4°109.5°
C9C10H101112.6°109.5°
C9C10H102112.6°109.5°
H91C9H9296.8°109.4°
O6C10H101112.6°109.5°
O6C10H102112.6°109.5°
C10O6C11110.0°106.8°
H101C10H10297.9°109.4°
O6C11C12109.2°109.5°
O6C11H111112.3°109.5°
O6C11H112112.3°109.5°
C12C11H111112.3°109.4°
C12C11H112112.3°109.4°
C11C12O7106.6°109.4°
C11C12H121113.3°109.5°
C11C12H122113.3°109.5°
H111C11H11298.1°109.5°
O7C12H121113.3°109.4°
O7C12H122113.3°109.5°
C12O7C13108.5°106.8°
H121C12H12297.2°109.4°
O7C13C14107.4°109.5°
O7C13H131113.0°109.5°
O7C13H132113.0°109.4°
C14C13H131113.0°109.5°
C14C13H132113.0°109.5°
C13C14O8102.9°109.5°
C13C14H141114.7°109.5°
C13C14H142114.7°109.5°
H131C13H13297.5°109.5°
O8C14H141114.7°109.4°
O8C14H142114.7°109.5°
C14O8C15111.9°106.8°
H141C14H14295.8°109.4°
O8C15C16111.9°109.5°
O8C15H151111.3°109.5°
O8C15H152111.3°109.5°
C16C15H151111.3°109.4°
C16C15H152111.4°109.5°
C15C16O52112.1°109.5°
C15C16H161111.2°109.5°
C15C16H162111.3°109.4°
H151C15H15299.0°109.5°
O52C16H161111.3°109.5°
O52C16H162111.3°109.4°
C16O52H52112.1°106.8°
H161C16H16299.1°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C50C48H481H482122.1°120.0°
C50C48H481H483118.9°120.0°
C50C48H482H483125.3°120.0°
C48C50O1H501125.3°120.0°
C48C50O1H502125.3°120.0°
C48C50H501H502118.9°120.0°
C48C50O1C1168.7°180.0°
H481C48H482H483109.5°119.9°
H481C48C50O154.7°180.0°
H481C48C50H50170.5°60.0°
H481C48C50H502180.0°60.0°
H482C48C50O1180.0°60.0°
H482C48C50H50154.7°60.0°
H482C48C50H50254.8°180.0°
H483C48C50O154.7°60.0°
H483C48C50H501180.0°180.0°
H483C48C50H50270.5°60.0°
O1C50H501H502118.9°120.0°
C50O1C1C2169.3°179.9°
C50O1C1H1165.4°60.0°
C50O1C1H1244.1°60.0°
H501C50O1C166.0°60.0°
H502C50O1C143.5°60.0°
O1C1C2H11125.2°120.0°
O1C1C2H12125.3°120.0°
O1C1H11H12115.9°119.9°
O1C1C2O266.9°60.0°
O1C1C2H2158.3°180.0°
O1C1C2H22167.9°60.0°
C2C1H11H12115.9°120.1°
C1C2O2H21125.2°120.0°
C1C2O2H22125.3°120.0°
C1C2H21H22116.3°119.9°
C1C2O2C3150.3°180.0°
H11C1C2O2167.8°60.0°
H11C1C2H2166.9°60.1°
H11C1C2H2242.6°180.0°
H12C1C2O258.4°180.0°
H12C1C2H21176.4°60.0°
H12C1C2H2266.9°60.0°
O2C2H21H22116.3°120.0°
C2O2C3C462.5°180.0°
C2O2C3H31172.3°60.0°
C2O2C3H3262.8°60.0°
H21C2O2C325.0°60.0°
H22C2O2C384.5°60.0°
O2C3C4H31125.2°120.0°
O2C3C4H32125.3°120.0°
O2C3H31H32117.8°120.0°
O2C3C4O355.1°60.0°
O2C3C4H41179.6°180.0°
O2C3C4H4270.2°60.0°
C4C3H31H32117.7°120.1°
C3C4O3H41125.3°120.0°
C3C4O3H42125.3°120.0°
C3C4H41H42119.5°119.9°
C3C4O3C5176.2°180.0°
H31C3C4O370.1°59.9°
H31C3C4H4155.2°60.0°
H31C3C4H42164.6°180.0°
H32C3C4O3179.6°180.0°
H32C3C4H4154.3°60.0°
H32C3C4H4255.1°59.9°
O3C4H41H42119.6°120.1°
C4O3C5C6167.4°180.0°
C4O3C5H5142.2°60.0°
C4O3C5H52A67.3°60.0°
H41C4O3C558.5°60.0°
H42C4O3C551.0°60.0°
O3C5C6H51125.2°120.0°
O3C5C6H52A125.3°120.0°
O3C5H51H52A118.3°120.0°
O3C5C6O468.7°60.0°
O3C5C6H61166.1°180.0°
O3C5C6H6256.6°60.0°
C6C5H51H52A118.3°120.0°
C5C6O4H61125.3°120.1°
C5C6O4H62125.3°120.0°
C5C6H61H62119.5°120.0°
C5C6O4C7168.5°180.0°
H51C5C6O456.6°60.0°
H51C5C6H6168.7°60.0°
H51C5C6H62178.1°179.9°
H52AC5C6O4166.1°180.0°
H52AC5C6H6140.8°60.0°
H52AC5C6H6268.6°60.0°
O4C6H61H62119.5°119.9°
C6O4C7C8156.3°180.0°
C6O4C7H7131.1°60.0°
C6O4C7H7278.4°60.1°
H61C6O4C766.2°59.9°
H62C6O4C743.2°60.0°
O4C7C8H71125.3°120.0°
O4C7C8H72125.3°120.0°
O4C7H71H72119.6°120.0°
O4C7C8O570.7°60.0°
O4C7C8H8154.6°179.9°
O4C7C8H82164.1°60.0°
C8C7H71H72119.6°120.0°
C7C8O5H81125.3°120.0°
C7C8O5H82125.3°120.0°
C7C8H81H82119.4°120.0°
C7C8O5C9176.3°180.0°
H71C7C8O5164.1°60.0°
H71C7C8H8170.7°60.0°
H71C7C8H8238.8°180.0°
H72C7C8O554.6°180.0°
H72C7C8H81179.9°60.0°
H72C7C8H8270.6°60.0°
O5C8H81H82119.4°120.0°
C8O5C9C10179.2°180.0°
C8O5C9H9155.6°59.9°
C8O5C9H9253.9°60.0°
H81C8O5C958.4°60.0°
H82C8O5C951.0°60.0°
O5C9C10H91125.3°120.1°
O5C9C10H92125.2°120.0°
O5C9H91H92119.6°120.0°
O5C9C10O678.2°60.0°
O5C9C10H10147.0°180.0°
O5C9C10H102156.5°60.0°
C10C9H91H92119.6°120.0°
C9C10O6H101125.2°120.1°
C9C10O6H102125.3°120.0°
C9C10H101H102118.5°120.0°
C9C10O6C1190.2°180.0°
H91C9C10O6156.5°60.1°
H91C9C10H10178.2°60.0°
H91C9C10H10231.2°179.9°
H92C9C10O647.0°180.0°
H92C9C10H101172.3°59.9°
H92C9C10H10278.3°60.0°
O6C10H101H102118.5°120.0°
C10O6C11C12179.5°180.0°
C10O6C11H11154.2°60.0°
C10O6C11H11255.3°60.0°
H101C10O6C1135.0°59.9°
H102C10O6C11144.5°60.0°
O6C11C12H111125.3°120.0°
O6C11C12H112125.2°120.0°
O6C11H111H112118.2°120.1°
O6C11C12O765.2°60.0°
O6C11C12H12160.1°180.0°
O6C11C12H122169.5°60.0°
C12C11H111H112118.2°119.9°
C11C12O7H121125.3°120.1°
C11C12O7H122125.2°120.0°
C11C12H121H122119.2°120.1°
C11C12O7C13176.1°180.0°
H111C11C12O7169.5°60.0°
H111C11C12H12165.2°60.0°
H111C11C12H12244.3°180.0°
H112C11C12O760.1°180.0°
H112C11C12H121174.7°60.0°
H112C11C12H12265.2°60.1°
O7C12H121H122119.2°120.0°
C12O7C13C14166.6°180.0°
C12O7C13H13168.1°60.0°
C12O7C13H13241.3°60.0°
H121C12O7C1350.8°59.9°
H122C12O7C1358.7°60.0°
O7C13C14H131125.3°120.0°
O7C13C14H132125.3°119.9°
O7C13H131H132118.9°120.0°
O7C13C14O872.8°60.1°
O7C13C14H14152.5°179.9°
O7C13C14H142162.0°60.0°
C14C13H131H132118.9°120.0°
C13C14O8H141125.2°120.0°
C13C14O8H142125.3°120.0°
C13C14H141H142120.6°120.0°
C13C14O8C15171.2°180.0°
H131C13C14O8162.0°60.0°
H131C13C14H14172.8°60.0°
H131C13C14H14236.7°180.0°
H132C13C14O852.5°180.0°
H132C13C14H141177.8°60.0°
H132C13C14H14272.8°60.0°
O8C14H141H142120.6°120.0°
C14O8C15C16125.3°180.0°
C14O8C15H1510.0°60.0°
C14O8C15H152109.4°60.0°
H141C14O8C1563.6°59.9°
H142C14O8C1545.9°60.0°
O8C15C16H151125.3°120.0°
O8C15C16H152125.3°120.0°
O8C15H151H152117.2°120.0°
O8C15C16O5260.4°60.0°
O8C15C16H16164.8°180.0°
O8C15C16H162174.3°59.9°
C16C15H151H152117.2°120.0°
C15C16O52H161125.3°120.1°
C15C16O52H162125.3°119.9°
C15C16H161H162117.1°120.0°
C15C16O52H52180.0°179.9°
H151C15C16O52174.3°60.0°
H151C15C16H16160.4°60.0°
H151C15C16H16249.0°179.9°
H152C15C16O5264.9°180.0°
H152C15C16H161169.9°60.0°
H152C15C16H16260.4°60.1°
O52C16H161H162117.2°120.0°
H161C16O52H5254.7°60.0°
H162C16O52H5254.7°60.0°

226707

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