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PSF

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O2Psing1.62Å1.45Å
O2C2sing1.42Å1.45Å
O1Psing1.62Å1.45Å
O1CBsing1.42Å1.48Å
PO4doub1.50Å1.46Å
PO3sing1.62Å1.50Å
O3HO3sing0.98Å0.95Å
C2C3sing1.52Å1.48Å
C2H21sing1.09Å1.10Å
C2H22sing1.10Å1.10Å
C3O11sing1.43Å1.57Å
C3C4sing1.52Å1.63Å
C3H31sing1.10Å1.10Å
O11C1sing1.37Å1.30Å
O12C1doub1.22Å1.34Å
C1C13sing1.51Å1.39Å
C4O52sing1.43Å1.58Å
C4H41sing1.10Å1.10Å
C4H42sing1.09Å1.10Å
C5O51doub1.22Å1.29Å
C5O52sing1.37Å1.41Å
C5C6sing1.51Å1.61Å
C6C7sing1.53Å1.63Å
C6H61sing1.10Å1.10Å
C6H62sing1.10Å1.10Å
C7C8sing1.53Å27.97Å
C7H71sing1.10Å1.10Å
C7H72sing1.10Å1.10Å
C13C14sing1.53Å1.44Å
C13H131sing1.10Å1.10Å
C13H132sing1.10Å1.10Å
C14C15sing1.53Å1.41Å
C14H141sing1.10Å1.10Å
C14H142sing1.10Å1.10Å
C15C16sing1.53Å34.11Å
C15H151sing1.10Å1.10Å
C15H152sing1.10Å1.10Å
NCAsing1.44Å1.49Å
NH1sing1.01Å1.00Å
NH2sing1.01Å1.00Å
CACBsing1.52Å1.50Å
CACsing1.51Å1.50Å
CAHAsing1.09Å1.10Å
CBHB1sing1.09Å1.10Å
CBHB2sing1.10Å1.10Å
COT1doub1.22Å1.24Å
COT2sing1.36Å1.24Å
OT2HXTsing0.98Å0.95Å
C8C9sing1.53Å0.00Å
C8H81sing1.10Å0.00Å
C8H82sing1.10Å0.00Å
C9C10sing1.52Å0.00Å
C9H91sing1.10Å0.00Å
C9H92sing1.10Å0.00Å
C10H101sing1.09Å0.00Å
C10H102sing1.09Å0.00Å
C10H103sing1.10Å0.00Å
C16C17sing1.52Å0.00Å
C16H161sing1.10Å0.00Å
C16H162sing1.10Å0.00Å
C17H171sing1.09Å0.00Å
C17H172sing1.09Å0.00Å
C17H173sing1.09Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
PO2C2120.4°118.2°
O2PO1110.8°103.2°
O2PO4109.5°115.2°
O2PO3108.0°103.3°
O2C2C392.6°109.8°
O2C2H21115.5°108.0°
O2C2H22118.8°107.3°
PO1CB126.5°120.1°
O1PO4108.6°115.1°
O1PO3110.7°104.5°
O1CBCA99.6°109.2°
O1CBHB1112.9°107.8°
O1CBHB2114.9°108.7°
O4PO3109.2°114.0°
PO3HO3109.5°118.8°
C3C2H21115.5°111.6°
C3C2H22118.8°111.1°
C2C3O1195.7°108.7°
C2C3C4130.6°111.5°
C2C3H31129.1°111.2°
H21C2H2297.3°108.8°
O11C3C4132.2°108.0°
O11C3H31125.4°106.7°
C3O11C1124.4°115.6°
C4C3H3135.6°110.6°
C3C4O52128.0°108.9°
C3C4H41103.7°111.2°
C3C4H4299.3°111.2°
O11C1O12124.0°125.8°
O11C1C13114.9°109.0°
O12C1C13121.0°125.2°
C1C13C14104.6°113.2°
C1C13H131111.1°109.1°
C1C13H132112.2°107.1°
O52C4H41103.7°107.8°
O52C4H4299.4°108.0°
C4O52C5122.6°115.5°
H41C4H42125.5°109.5°
O51C5O52103.5°125.9°
O51C5C6133.1°125.2°
O52C5C6121.3°108.9°
C5C6C7127.6°113.2°
C5C6H61103.8°109.1°
C5C6H6299.5°107.1°
C7C6H61103.8°109.7°
C7C6H6299.5°109.1°
C6C7C8134.1°112.5°
C6C7H71102.0°108.3°
C6C7H7296.3°110.2°
H61C6H62125.2°108.4°
C8C7H71102.0°108.8°
C8C7H7296.3°109.9°
C7C8C990.0°111.2°
C7C8H8190.0°110.1°
C7C8H8290.0°109.5°
H71C7H72131.5°107.0°
C14C13H131111.1°109.7°
C14C13H132112.2°109.1°
C13C14C15113.9°112.5°
C13C14H141108.0°108.4°
C13C14H142107.0°110.3°
H131C13H132105.8°108.5°
C15C14H141108.0°108.8°
C15C14H142107.0°109.8°
C14C15C1688.2°111.2°
C14C15H151117.3°110.1°
C14C15H152121.1°109.5°
H141C14H142113.0°106.9°
C16C15H151117.3°109.4°
C16C15H152121.1°109.5°
C15C16C1790.0°111.5°
C15C16H16190.0°109.8°
C15C16H16290.0°109.9°
H151C15H15294.3°107.0°
CANH1109.5°119.0°
CANH2109.5°118.9°
NCACB113.8°111.6°
NCAC126.7°107.3°
NCAHA89.8°105.4°
H1NH2109.5°120.7°
CBCAC113.6°110.6°
CBCAHA116.2°111.8°
CACBHB1112.9°111.1°
CACBHB2114.9°111.6°
CCAHA90.2°110.0°
CACOT1116.7°125.2°
CACOT2118.6°111.9°
HB1CBHB2102.1°108.4°
OT1COT2124.7°122.9°
COT2HXT109.5°115.2°
C9C8H8190.0°109.3°
C9C8H8290.0°109.5°
C8C9C1090.0°111.5°
C8C9H9190.0°109.9°
C8C9H9290.0°109.9°
H81C8H8290.0°107.1°
C10C9H9190.0°109.1°
C10C9H9290.0°109.2°
C9C10H10190.0°111.0°
C9C10H10290.0°111.0°
C9C10H10390.0°110.3°
H91C9H9290.0°107.2°
H101C10H10290.0°108.3°
H101C10H10390.0°108.1°
H102C10H10390.0°108.1°
C17C16H16190.0°109.1°
C17C16H16290.0°109.2°
C16C17H17190.0°111.0°
C16C17H17290.0°111.0°
C16C17H17390.0°110.3°
H161C16H16290.0°107.3°
H171C17H17290.0°108.3°
H171C17H17390.0°108.0°
H172C17H17390.0°108.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2PO1O4120.3°126.4°
O2PO1O3119.8°107.8°
O2PO1CB0.6°173.7°
O2PO4O3118.1°119.3°
O2PO3HO38.4°80.1°
PO2C2C3176.7°180.0°
PO2C2H2156.7°58.0°
PO2C2H2258.2°59.2°
C2O2PO1155.8°53.7°
C2O2PO436.1°180.0°
C2O2PO382.8°54.9°
O2C2C3H21120.0°119.8°
O2C2C3H22125.0°118.5°
O2C2H21H22126.7°116.2°
O2C2C3O1188.1°58.7°
O2C2C3C478.8°60.2°
O2C2C3H31125.7°175.9°
O1PO4O3120.8°120.8°
O1PO3HO3129.9°172.3°
PO1CBCA124.4°180.0°
PO1CBHB14.3°59.2°
PO1CBHB2112.3°58.1°
CBO1PO4120.9°60.0°
CBO1PO3119.2°65.9°
O1CBCAN93.2°178.1°
O1CBCAHB1120.0°118.8°
O1CBCAHB2123.4°120.2°
O1CBCAC61.8°58.8°
O1CBCAHA164.5°64.1°
O1CBHB1HB2124.0°117.5°
O4PO3HO3110.7°45.7°
C3C2H21H22126.8°123.0°
C2C3O11C4166.7°121.1°
C2C3O11H31148.0°120.0°
C2C3C4H31103.2°124.2°
C2C3O11C195.6°60.0°
C2C3C4O523.6°178.8°
C2C3C4H41116.4°60.1°
C2C3C4H42113.3°62.3°
H21C2C3O1131.8°61.1°
H21C2C3C4161.2°180.0°
H21C2C3H31114.3°56.1°
H22C2C3O11146.8°177.2°
H22C2C3C446.2°58.3°
H22C2C3H310.6°65.6°
O11C3C4H3194.5°116.4°
C3O11C1O12134.5°0.1°
C3O11C1C1348.6°178.6°
O11C3C4O52165.9°59.4°
O11C3C4H4146.0°59.3°
O11C3C4H4284.3°178.3°
C4C3O11C171.1°178.9°
C3C4O52H41120.0°120.8°
C3C4O52H42109.7°120.9°
C3C4H41H42112.3°123.3°
C3C4O52C5154.4°180.0°
H31C3O11C1116.4°60.0°
H31C3C4O5299.6°57.0°
H31C3C4H41140.4°175.7°
H31C3C4H4210.1°61.9°
O11C1O12C13176.8°178.3°
O11C1C13C1479.7°63.8°
O11C1C13H131160.3°58.6°
O11C1C13H13242.2°175.9°
O12C1C13C14103.3°117.6°
O12C1C13H13116.7°120.0°
O12C1C13H132134.9°2.7°
C1C13C14H131120.0°122.1°
C1C13C14H132121.8°119.1°
C1C13H131H132122.0°116.4°
C1C13C14C15178.1°60.3°
C1C13C14H14158.1°60.0°
C1C13C14H14263.9°176.7°
O52C4H41H42112.3°117.3°
C4O52C5O51172.8°0.0°
C4O52C5C621.7°178.6°
H41C4O52C585.6°59.1°
H42C4O52C544.7°59.2°
O51C5O52C6165.5°178.6°
O51C5C6C738.2°2.4°
O51C5C6H6181.8°120.0°
O51C5C6H62148.2°122.8°
O52C5C6C7161.2°176.2°
O52C5C6H6178.8°61.4°
O52C5C6H6251.2°55.9°
C5C6C7H61120.0°122.1°
C5C6C7H62110.0°119.2°
C5C6H61H62112.4°116.4°
C5C6C7C815.6°179.6°
C5C6C7H71104.4°60.0°
C5C6C7H72120.8°56.7°
C7C6H61H62112.5°119.1°
C6C7C8H71120.0°120.0°
C6C7C8H72105.2°123.1°
C6C7H71H72109.8°118.8°
C6C7C8C990.0°178.6°
C6C7C8H8190.0°60.1°
C6C7C8H8290.0°57.4°
H61C6C7C8135.6°57.5°
H61C6C7H7115.6°177.9°
H61C6C7H72119.2°65.4°
H62C6C7C894.4°61.1°
H62C6C7H71145.6°59.2°
H62C6C7H7210.8°175.9°
C8C7H71H72109.7°118.7°
C7C8C9H8190.0°121.8°
C7C8C9H8290.0°121.2°
C7C8H81H8290.0°119.0°
C7C8C9C1090.0°178.2°
C7C8C9H9190.0°60.7°
C7C8C9H9290.0°57.0°
H71C7C8C990.0°58.6°
H71C7C8H8190.0°179.9°
H71C7C8H8290.0°62.6°
H72C7C8C990.0°58.2°
H72C7C8H8190.0°63.1°
H72C7C8H8290.0°179.4°
C14C13H131H132122.0°119.1°
C13C14C15H141120.0°120.1°
C13C14C15H142118.0°123.2°
C13C14H141H142118.2°118.8°
C13C14C15C16104.3°178.6°
C13C14C15H151135.7°60.0°
C13C14C15H15221.5°57.4°
H131C13C14C1561.9°177.5°
H131C13C14H141178.1°62.2°
H131C13C14H14256.1°54.6°
H132C13C14C1556.3°58.8°
H132C13C14H14163.7°179.1°
H132C13C14H142174.3°64.2°
C15C14H141H142118.2°118.6°
C14C15C16H151120.0°121.8°
C14C15C16H152125.8°121.2°
C14C15H151H152128.5°118.9°
C14C15C16C1790.0°178.2°
C14C15C16H16190.0°60.7°
C14C15C16H16290.0°57.0°
H141C14C15C1615.7°58.5°
H141C14C15H151104.3°180.0°
H141C14C15H152141.5°62.7°
H142C14C15C16137.6°58.2°
H142C14C15H15117.7°63.2°
H142C14C15H15296.6°179.4°
C16C15H151H152128.4°118.6°
C15C16C17H16190.0°121.4°
C15C16C17H16290.0°121.6°
C15C16H161H16290.0°119.4°
C15C16C17H17190.0°60.3°
C15C16C17H17290.0°60.2°
C15C16C17H17390.0°180.0°
H151C15C16C1790.0°60.0°
H151C15C16H16190.0°61.1°
H151C15C16H16290.0°178.8°
H152C15C16C1790.0°57.0°
H152C15C16H16190.0°178.1°
H152C15C16H16290.0°64.2°
CANH1H2120.0°166.5°
NCACBC155.1°119.4°
NCACBHA102.3°117.8°
NCACHA89.8°114.1°
NCACBHB126.8°59.4°
NCACBHB2143.4°61.7°
NCACOT1169.9°35.9°
NCACOT210.3°146.5°
H1NCACB135.4°27.7°
H1NCAC73.4°93.5°
H1NCAHA16.6°149.3°
H2NCACB104.6°165.6°
H2NCAC46.6°73.2°
H2NCAHA136.6°44.0°
CBCACHA118.9°123.9°
CACBHB1HB2124.0°122.9°
CBCACOT118.7°86.0°
CBCACOT2161.5°91.6°
CCACBHB1178.1°60.0°
CCACBHB261.5°179.0°
CACOT1OT2179.8°177.4°
CACOT2HXT179.8°177.8°
HACACBHB175.5°177.2°
HACACBHB241.1°56.1°
HACACOT1100.3°150.1°
HACACOT279.6°32.3°
OT1COT2HXT0.0°0.1°
C9C8H81H8290.0°118.5°
C8C9C10H9190.0°121.6°
C8C9C10H9290.0°121.6°
C8C9H91H9290.0°119.3°
C8C9C10H10190.0°60.3°
C8C9C10H10290.0°60.2°
C8C9C10H10390.0°180.0°
H81C8C9C1090.0°60.0°
H81C8C9H9190.0°61.1°
H81C8C9H9290.0°178.8°
H82C8C9C1090.0°57.0°
H82C8C9H9190.0°178.1°
H82C8C9H9290.0°64.2°
C10C9H91H9290.0°118.1°
C9C10H101H10290.0°122.1°
C9C10H101H10390.0°121.0°
C9C10H102H10390.0°121.0°
H91C9C10H10190.0°178.1°
H91C9C10H10290.0°61.3°
H91C9C10H10390.0°58.4°
H92C9C10H10190.0°61.3°
H92C9C10H10290.0°178.2°
H92C9C10H10390.0°58.5°
H101C10H102H10390.0°116.8°
C17C16H161H16290.0°118.1°
C16C17H171H17290.0°122.1°
C16C17H171H17390.0°121.0°
C16C17H172H17390.0°121.1°
H161C16C17H17190.0°178.2°
H161C16C17H17290.0°61.3°
H161C16C17H17390.0°58.5°
H162C16C17H17190.0°61.3°
H162C16C17H17290.0°178.2°
H162C16C17H17390.0°58.4°
H171C17H172H17390.0°116.8°

246704

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