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PUP

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O12C10sing1.43Å1.39Å
C10C11sing1.53Å1.50Å
C11O13sing1.44Å1.39Å
C11C12sing1.54Å1.46Å
O10Pdoub1.48Å1.51Å
O13Csing1.44Å1.42Å
C12O14sing1.43Å1.41Å
C12C13sing1.55Å1.44Å
C01C02sing1.53Å1.47Å
C01O01sing1.43Å1.42Å
PO14sing1.61Å1.60Å
PO01sing1.61Å1.56Å
PO11sing1.61Å1.50Å
CC13sing1.55Å1.46Å
C02O02sing1.44Å1.39Å
C02C03sing1.54Å1.49Å
O02C05sing1.44Å1.42Å
C13Osing1.43Å1.38Å
O08P01doub1.48Å1.52Å
C09C08doub1.35Å1.42Å
C09N01sing1.37Å1.38Å
C03O03sing1.43Å1.41Å
C03C04sing1.55Å1.41Å
O07P01sing1.61Å1.50Å
C05N01sing1.46Å1.47Å
C05C04sing1.55Å1.46Å
C08C07sing1.42Å1.43Å
O03P01sing1.61Å1.61Å
N01C06sing1.35Å1.37Å
P01O09sing1.61Å1.52Å
C04O04sing1.43Å1.39Å
C07O06doub1.22Å1.41Å
C07Nsing1.35Å1.37Å
C06Nsing1.35Å1.37Å
C06O05doub1.22Å1.23Å
NH1sing0.97Å1.00Å
C01H2sing1.09Å1.10Å
C01H3sing1.09Å1.10Å
C02H4sing1.09Å1.10Å
C03H5sing1.09Å1.10Å
C04H6sing1.09Å1.10Å
C05H7sing1.09Å1.10Å
C08H8sing1.08Å1.08Å
C09H9sing1.08Å1.08Å
C10H10sing1.09Å1.10Å
C10H11sing1.09Å1.10Å
C11H12sing1.09Å1.10Å
C12H13sing1.09Å1.10Å
C13H14sing1.09Å1.10Å
CH15sing1.09Å1.10Å
CH16sing1.09Å1.10Å
O04H17sing0.97Å0.95Å
O07H18sing0.97Å0.95Å
O09H19sing0.97Å0.95Å
O11H20sing0.97Å0.95Å
O12H21sing0.97Å0.95Å
OH22sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O12C10C11117.9°109.5°
O12C10H10107.3°109.4°
O12C10H11107.3°109.4°
C10O12H21109.5°114.0°
C10C11O13109.6°109.9°
C10C11C12112.2°109.9°
C11C10H10107.3°109.5°
C11C10H11107.3°109.5°
C10C11H12109.6°109.9°
O13C11C12104.1°107.3°
C11O13C107.3°107.0°
O13C11H12111.1°109.8°
C11C12O14110.9°110.5°
C11C12C13103.1°104.2°
C12C11H12110.2°110.0°
C11C12H13110.4°110.4°
O10PO14109.1°109.5°
O10PO01109.4°109.5°
O10PO11108.8°109.5°
O13CC13106.5°103.5°
O13CH15110.2°110.6°
O13CH16110.2°110.7°
O14C12C13110.2°110.5°
C12O14P120.4°123.0°
O14C12H13111.2°110.5°
C12C13C104.7°102.1°
C12C13O110.2°110.9°
C13C12H13110.7°110.6°
C12C13H14110.4°111.0°
C02C01O01118.9°109.4°
C01C02O02108.8°109.9°
C01C02C03110.9°109.8°
C02C01H2107.1°109.5°
C02C01H3107.1°109.5°
C01C02H4110.3°109.9°
C01O01P120.0°123.0°
O01C01H2107.1°109.5°
O01C01H3107.1°109.4°
O14PO01109.1°109.4°
O14PO11109.9°109.5°
O01PO11110.4°109.5°
PO11H20109.5°114.0°
CC13O109.7°110.9°
CC13H14110.2°110.9°
C13CH15110.2°110.6°
C13CH16110.2°110.6°
O02C02C03105.4°107.3°
C02O02C05107.3°107.0°
O02C02H4111.5°109.9°
C02C03O03109.2°110.5°
C02C03C04102.4°104.2°
C03C02H4109.9°110.0°
C02C03H5111.4°110.5°
O02C05N01115.0°110.6°
O02C05C04106.3°103.5°
O02C05H7107.4°110.7°
OC13H14111.3°110.8°
C13OH22109.5°114.0°
O08P01O07109.7°109.5°
O08P01O03109.2°109.5°
O08P01O09109.4°109.5°
C08C09N01120.7°119.8°
C09C08C07118.0°119.1°
C09C08H8121.0°120.5°
C08C09H9119.7°120.1°
C09N01C05119.3°119.8°
C09N01C06119.1°120.6°
N01C09H9119.7°120.1°
O03C03C04108.0°110.4°
C03O03P01121.6°122.9°
O03C03H5112.7°110.5°
C03C04C05102.1°102.1°
C03C04O04110.2°111.0°
C04C03H5112.7°110.6°
C03C04H6111.4°110.9°
O07P01O03109.4°109.5°
O07P01O09109.7°109.5°
P01O07H18109.5°114.0°
N01C05C04114.0°110.6°
C05N01C06121.5°119.7°
N01C05H7106.8°110.6°
C05C04O04110.3°110.9°
C05C04H6110.7°110.9°
C04C05H7107.0°110.6°
C08C07O06120.1°120.3°
C08C07N119.4°119.4°
C07C08H8121.0°120.5°
O03P01O09109.3°109.4°
N01C06N122.2°121.0°
N01C06O05119.9°119.5°
P01O09H19109.5°114.0°
O04C04H6111.7°110.8°
C04O04H17109.5°114.1°
O06C07N120.5°120.3°
C07NC06120.6°120.2°
C07NH1119.7°119.9°
NC06O05117.9°119.5°
C06NH1119.7°119.8°
H2C01H3109.5°109.5°
H10C10H11109.5°109.5°
H15CH16109.5°110.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O12C10C11H10121.2°120.0°
O12C10C11H11121.2°120.0°
O12C10C11O1356.2°66.4°
O12C10C11C12171.3°175.7°
O12C10H10H11116.2°120.0°
O12C10C11H1266.0°54.5°
C10C11O13C12120.2°119.4°
C10C11O13H12121.2°121.0°
C10C11C12H12122.3°121.1°
C10C11O13C89.5°145.9°
C10C11C12O14162.0°119.9°
C10C11C12C1380.1°121.5°
C11C10H10H11116.2°120.0°
C10C11C12H1338.3°2.7°
C11C10O12H21180.0°180.0°
O13C11C12H12119.3°119.5°
O13C11C12O1479.6°120.7°
O13C11C12C1338.3°2.0°
C11O13CC1311.1°40.0°
O13C11C10H1065.0°173.6°
O13C11C10H11177.4°53.5°
O13C11C12H13156.7°116.8°
C11O13CH15130.6°158.5°
C11O13CH16108.4°78.5°
C12C11O13C30.6°26.5°
C11C12O14C13113.5°114.8°
C11C12O14H13123.3°122.5°
C11C12C13H13118.1°118.7°
C11C12O14P104.3°120.0°
C11C12C13C31.0°20.9°
C11C12C13O149.0°139.1°
C12C11C10H1050.1°55.7°
C12C11C10H1167.5°64.3°
C11C12C13H1487.6°97.3°
O10PO14C1269.2°55.0°
O10PO01C0130.6°55.0°
O10PO14O01119.5°120.0°
O10PO14O11119.2°120.0°
O10PO01O11119.7°120.1°
O10PO11H200.0°179.9°
O13CC13C1213.0°37.0°
O13CC13H15119.5°118.5°
O13CC13H16119.5°118.6°
O13CC13O131.3°155.2°
CO13C11H12149.2°93.1°
O13CC13H14105.8°81.2°
O13CH15H16121.4°123.0°
O14C12C13H13123.4°122.7°
C12O14PO0150.3°175.0°
C12O14PO11171.6°65.0°
O14C12C13C87.4°97.8°
O14C12C13O30.5°20.4°
O14C12C11H1239.7°1.2°
O14C12C13H14153.9°144.0°
C13C12O14P142.2°125.2°
C12C13CO118.3°118.2°
C12C13CH14118.8°118.3°
C12C13OH14122.9°123.7°
C13C12C11H12157.6°117.5°
C12C13CH15106.5°155.5°
C12C13CH16132.6°81.6°
C12C13OH22180.0°180.0°
C02C01O01H2121.3°120.0°
C02C01O01H3121.3°120.0°
C02C01O01P163.2°180.0°
C01C02O02C03119.0°119.4°
C01C02O02H4121.8°121.0°
C01C02C03H4122.2°121.0°
C01C02O02C05105.5°145.9°
C01C02C03O03162.4°119.9°
C01C02C03C0483.4°121.5°
C02C01H2H3115.7°120.1°
C01C02C03H537.2°2.7°
C01O01PO14150.0°175.0°
C01O01PO1189.1°65.0°
O01C01C02O02132.7°66.5°
O01C01C02C0317.2°175.7°
O01C01H2H3115.7°120.0°
O01C01C02H4104.8°54.6°
O14PO01O11120.9°120.0°
PO14C12H1319.0°2.5°
O14PO11H20119.5°60.0°
PO01C01H241.8°60.0°
PO01C01H375.5°60.0°
O01PO11H20120.1°60.0°
CC13OH14122.3°123.6°
CC13C12H13149.2°139.6°
C13CH15H16121.4°122.9°
CC13OH2265.2°67.3°
O02C02C03H4120.2°119.5°
O02C02C03O0380.0°120.6°
O02C02C03C0434.2°2.0°
C02O02C05N01138.6°158.5°
C02O02C05C0411.5°40.0°
O02C02C01H211.4°173.6°
O02C02C01H3105.9°53.5°
O02C02C03H5154.8°116.8°
C02O02C05H7102.7°78.5°
C03C02O02C0513.5°26.5°
C02C03O03C04110.5°114.7°
C02C03O03H5124.4°122.6°
C02C03C04H5119.7°118.8°
C02C03C04C0540.0°20.9°
C02C03O03P01106.4°120.0°
C02C03C04O04157.2°139.1°
C03C02C01H2104.2°55.7°
C03C02C01H3138.5°64.4°
C02C03C04H678.2°97.4°
O02C05N01C0959.3°48.8°
O02C05C04C0333.0°37.0°
O02C05N01C04123.1°114.1°
O02C05N01H7119.1°123.0°
O02C05C04H7114.5°118.6°
O02C05N01C06120.9°130.9°
O02C05C04O04150.2°155.3°
C05O02C02H4132.7°93.1°
O02C05C04H685.7°81.2°
OC13C12H1392.9°102.3°
OC13CH1511.8°86.3°
OC13CH16109.2°36.6°
O08P01O03C03125.0°55.0°
O08P01O07O03119.8°120.0°
O08P01O07O09120.3°120.0°
O08P01O03O09119.7°120.0°
O08P01O07H180.0°180.0°
O08P01O09H190.0°60.0°
C08C09N01H9180.0°179.9°
C08C09N01C05180.0°179.7°
C09C08C07H8180.0°179.7°
C08C09N01C060.1°0.0°
C09C08C07O06180.0°179.7°
C09C08C07N0.1°0.8°
C09N01C05C06179.9°179.7°
C09N01C05C0463.8°65.3°
N01C09C08C070.1°0.5°
C09N01C06N0.1°0.3°
C09N01C06O05179.9°179.7°
C09N01C05H7178.3°171.8°
N01C09C08H8179.9°179.8°
O03C03C04H5125.1°122.6°
C03O03P01O074.9°65.0°
O03C03C04C0575.1°97.8°
C03O03P01O09115.2°175.0°
O03C03C04O0442.1°20.4°
O03C03C02H440.2°1.1°
O03C03C04H6166.7°144.0°
C03C04C05N01160.7°155.5°
C03C04C05O04117.2°118.3°
C03C04C05H6118.7°118.2°
C04C03O03P01143.0°125.2°
C03C04O04H6124.4°123.6°
C04C03C02H4154.4°117.5°
C03C04C05H781.5°81.6°
C03C04O04H17180.0°180.0°
O07P01O03O09120.2°120.0°
O07P01O09H19120.4°60.1°
N01C05C04H7117.7°122.9°
N01C05C04O0482.1°86.3°
C05N01C06N179.9°180.0°
C05N01C06O050.1°0.0°
N01C05C04H642.1°37.2°
C05N01C09H90.0°0.2°
C04C05N01C06116.0°115.0°
C05C04O04H6123.6°123.6°
C05C04C03H5159.7°139.6°
C05C04O04H1768.0°67.3°
C08C07O06N179.9°179.4°
C08C07NC060.1°0.5°
C08C07NH1179.9°179.5°
C07C08C09H9179.9°179.5°
P01O03C03H517.9°2.6°
O03P01O07H18119.8°60.0°
O03P01O09H19119.6°179.9°
N01C06NC070.1°0.0°
N01C06NO05180.0°180.0°
N01C06NH1179.9°180.0°
C06N01C05H71.8°7.9°
C06N01C09H9179.9°180.0°
O09P01O07H18120.3°60.0°
O04C04C03H583.0°102.2°
O04C04C05H735.7°36.7°
O06C07NC06180.0°180.0°
O06C07NH10.0°0.1°
O06C07C08H80.0°0.1°
C07NC06H1180.0°179.9°
C07NC06O05179.9°180.0°
NC07C08H8179.9°179.5°
O05C06NH10.1°0.1°
H2C01C02H4133.9°65.4°
H3C01C02H416.6°174.5°
H4C02C03H584.9°123.7°
H5C03C04H641.6°21.4°
H6C04C05H7159.8°160.2°
H6C04O04H1755.6°56.3°
H8C08C09H90.1°0.1°
H10C10C11H12172.8°65.4°
H10C10O12H2158.9°60.0°
H11C10C11H1255.2°174.5°
H11C10O12H2158.8°60.0°
H12C11C12H1384.1°123.7°
H13C12C13H1430.5°21.3°
H14C13CH15134.7°37.3°
H14C13CH1613.8°160.1°
H14C13OH2257.1°56.3°

222415

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