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12D

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
P1O3sing1.61Å1.51Å
P1O6sing1.61Å1.60Å
P1O1sing1.61Å1.51Å
O1H14sing0.97Å0.95Å
O2P1doub1.48Å1.51Å
O3H15sing0.97Å0.95Å
P2O6sing1.61Å1.61Å
P2O7sing1.61Å1.61Å
O4P2doub1.48Å1.52Å
O5P2sing1.61Å1.50Å
O5H16sing0.97Å0.95Å
O7C1sing1.43Å1.43Å
C1C2sing1.53Å1.52Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C2C3sing1.54Å1.52Å
C2H3sing1.09Å1.10Å
O8C5sing1.44Å1.44Å
O8C2sing1.44Å1.43Å
C3O9sing1.44Å1.42Å
C3H4sing1.09Å1.10Å
O9C11sing1.44Å1.44Å
C4C3sing1.55Å1.51Å
C4O10sing1.44Å1.42Å
C4H5sing1.09Å1.10Å
O10C11sing1.44Å1.44Å
C5C4sing1.54Å1.52Å
C5H6sing1.09Å1.10Å
N1C5sing1.46Å1.49Å
C6N1sing1.36Å1.34ÅAromatic
C6H7sing1.08Å1.08Å
N2C7sing1.35Å1.34ÅAromatic
N2C6doub1.30Å1.35ÅAromatic
C7C10sing1.41Å1.39ÅAromatic
C8C7doub1.40Å1.39ÅAromatic
C8N4sing1.33Å1.35ÅAromatic
N3C8sing1.38Å1.36Å
N3H8sing0.97Å1.00Å
N3H9sing0.97Å1.00Å
N4C9doub1.32Å1.34ÅAromatic
C9N5sing1.32Å1.34ÅAromatic
C9H10sing1.08Å1.08Å
C10N1sing1.37Å1.34ÅAromatic
C10N5doub1.33Å1.36ÅAromatic
C11C12sing1.52Å1.52Å
C11C16sing1.50Å1.52Å
C12C13sing1.51Å1.39Å
C12H11sing1.09Å1.10Å
C13C14doub1.33Å1.38Å
C13H12sing1.08Å1.08Å
C14N7sing1.48Å1.36Å
C15C14sing1.47Å1.39Å
C15H13sing1.08Å1.08Å
C16C15doub1.33Å1.39Å
N6C12sing1.47Å1.37Å
N6O12sing1.22Å1.40Å
N7O14sing1.22Å1.39Å
N7O13doub1.22Å1.39Å
N8C16sing1.48Å1.36Å
N8O15sing1.22Å1.39Å
O11N6doub1.22Å1.39Å
O16N8doub1.22Å1.38Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O3P1O6103.0°109.5°
O3P1O1111.6°109.5°
O3P1O2113.9°109.5°
P1O3H15109.5°114.0°
O6P1O1106.9°109.5°
O6P1O2106.9°109.5°
P1O6P2128.0°134.0°
P1O1H14109.5°114.0°
O1P1O2113.6°109.5°
O6P2O7101.2°109.5°
O6P2O4110.4°109.5°
O6P2O5110.4°109.5°
O7P2O4107.9°109.4°
O7P2O5106.6°109.5°
P2O7C1122.6°123.0°
O4P2O5118.7°109.5°
P2O5H16109.5°114.0°
O7C1C2109.0°109.4°
O7C1H1109.6°109.5°
O7C1H2109.7°109.5°
C2C1H1109.6°109.5°
C2C1H2109.7°109.4°
C1C2C3107.9°110.3°
C1C2H3109.2°110.3°
C1C2O8110.3°110.3°
H1C1H2109.1°109.5°
C3C2H3112.3°110.4°
C3C2O8107.1°104.9°
C2C3O9112.6°108.7°
C2C3H4108.6°112.7°
C2C3C4106.3°103.9°
H3C2O8110.0°110.4°
C5O8C2111.1°105.3°
O8C5C4107.0°104.9°
O8C5H6110.5°110.3°
O8C5N1113.0°110.3°
O9C3H4108.5°112.7°
C3O9C11107.7°104.8°
O9C3C4106.4°104.7°
H4C3C4114.6°113.4°
O9C11O10107.7°105.3°
O9C11C12112.7°110.2°
O9C11C16109.5°110.0°
C3C4O10105.4°104.7°
C3C4H5115.5°112.9°
C3C4C5104.6°103.8°
O10C4H5109.8°112.8°
C4O10C11109.6°104.8°
O10C4C5110.9°108.7°
H5C4C5110.5°113.2°
O10C11C12106.0°110.2°
O10C11C16108.3°110.0°
C4C5H6109.3°110.4°
C4C5N1114.1°110.4°
H6C5N1102.8°110.3°
C5N1C6127.8°126.3°
C5N1C10123.9°126.3°
N1C6H7125.5°125.0°
N1C6N2109.0°110.0°
C6N1C10108.3°107.4°
H7C6N2125.5°125.0°
C7N2C6107.6°109.4°
N2C7C10107.6°107.1°
N2C7C8133.4°134.7°
C10C7C8119.0°118.2°
C7C10N1107.5°106.0°
C7C10N5119.9°119.1°
C7C8N4118.6°118.5°
C7C8N3120.3°120.8°
N4C8N3121.1°120.8°
C8N4C9121.9°121.2°
C8N3H8109.5°120.0°
C8N3H9109.5°120.0°
H8N3H9109.5°119.9°
N4C9N5120.3°122.5°
N4C9H10119.9°118.8°
N5C9H10119.9°118.7°
C9N5C10120.4°120.6°
N1C10N5132.7°134.9°
C12C11C16112.4°110.9°
C11C12C13120.6°110.1°
C11C12H1133.9°109.3°
C11C12N6124.4°109.4°
C11C16C15121.5°120.2°
C11C16N8122.8°119.9°
C13C12H11140.5°109.4°
C12C13C14123.1°120.3°
C12C13H12118.5°119.8°
C13C12N6114.9°109.4°
H11C12N698.5°109.3°
C14C13H12118.5°119.8°
C13C14N7120.1°119.9°
C13C14C15120.3°120.2°
N7C14C15119.6°119.9°
C14N7O14120.8°120.0°
C14N7O13119.6°120.0°
C14C15H13119.0°120.1°
C14C15C16122.0°119.8°
H13C15C16119.0°120.1°
C15C16N8115.7°119.9°
C12N6O12118.9°120.0°
C12N6O11123.9°120.0°
O12N6O11117.2°120.0°
O14N7O13119.6°120.0°
C16N8O15120.8°120.0°
C16N8O16122.4°120.0°
O15N8O16116.8°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O3P1O6O1117.7°120.0°
O3P1O6O2120.3°120.0°
O3P1O1O2130.4°120.0°
O3P1O1H1469.7°60.0°
O3P1O6P2140.0°75.0°
O6P1O1O2117.7°120.0°
O6P1O1H1442.2°180.0°
O6P1O3H15117.7°60.0°
P1O6P2O7160.3°160.0°
P1O6P2O485.6°40.0°
P1O6P2O547.7°80.0°
O1P1O3H15128.0°60.0°
O1P1O6P2102.3°165.0°
H14O1P1O2159.9°59.9°
O2P1O3H152.3°180.0°
O2P1O6P219.7°45.0°
O6P2O7O4115.9°120.0°
O6P2O7O5115.5°120.0°
O6P2O4O5129.0°120.0°
O6P2O5H1656.7°60.0°
O6P2O7C175.3°175.0°
O7P2O4O5121.3°119.9°
O7P2O5H1652.4°60.0°
P2O7C1C2171.7°180.0°
P2O7C1H168.4°60.0°
P2O7C1H251.5°60.1°
O4P2O5H16174.3°179.9°
O4P2O7C140.6°55.0°
O5P2O7C1169.2°65.0°
O7C1C2H1120.0°120.0°
O7C1C2H2120.2°119.9°
O7C1H1H2120.2°120.0°
O7C1C2C343.1°175.0°
O7C1C2H3165.4°52.8°
O7C1C2O873.6°69.5°
C2C1H1H2120.2°120.0°
C1C2C3H3120.4°122.2°
C1C2C3O8118.7°118.8°
C1C2H3O8121.2°122.3°
C1C2O8C5118.4°159.6°
C1C2C3O9136.4°106.0°
C1C2C3H416.2°19.7°
C1C2C3C4107.5°142.9°
H1C1C2C377.0°65.0°
H1C1C2H345.4°172.8°
H1C1C2O8166.4°50.5°
H2C1C2C3163.2°55.0°
H2C1C2H374.4°67.2°
H2C1C2O846.6°170.5°
C3C2H3O8119.2°115.5°
C3C2O8C51.2°40.7°
C2C3O9H4120.2°125.7°
C2C3O9C4116.0°110.6°
C2C3H4C4118.6°117.7°
C2C3O9C11134.4°133.6°
C2C3C4O10135.5°113.9°
C2C3C4H5103.1°123.1°
C2C3C4C518.5°0.0°
H3C2O8C5121.1°78.2°
H3C2C3O916.0°16.2°
H3C2C3H4104.2°141.9°
H3C2C3C4132.1°94.9°
O8C5C4C319.4°24.1°
O8C5C4O10132.6°135.2°
O8C5C4H5105.5°98.7°
O8C5C4H6119.7°118.9°
O8C5C4N1125.8°118.9°
O8C5H6N1120.9°122.2°
O8C5N1C668.7°23.6°
O8C5N1C10111.4°156.8°
O8C2C3O9104.9°135.2°
O8C2C3H4135.0°99.1°
O8C2C3C411.2°24.1°
C2O8C5C413.1°40.7°
C2O8C5H6105.8°78.2°
C2O8C5N1139.6°159.6°
O9C3H4C4118.7°118.8°
O9C3C4O1015.3°0.0°
O9C3C4H5136.6°123.0°
C3O9C11O1014.7°38.7°
O9C3C4C5101.7°114.0°
C3O9C11C12101.9°80.1°
C3O9C11C16132.2°157.2°
H4C3O9C11105.4°100.7°
H4C3C4O10104.6°123.3°
H4C3C4H516.8°0.3°
H4C3C4C5138.4°122.8°
C11O9C3C418.4°23.1°
O9C11O10C44.7°38.7°
O9C11O10C12120.8°118.8°
O9C11O10C16118.3°118.5°
O9C11C12C16124.3°122.1°
O9C11C12C13126.9°74.2°
O9C11C12H119.8°46.0°
O9C11C16C15128.3°88.2°
O9C11C12N655.5°165.6°
O9C11C16N852.9°91.8°
C3C4O10H5125.0°123.1°
C3C4O10C5112.7°110.5°
C3C4H5C5118.5°117.6°
C3C4O10C116.4°23.1°
C3C4C5H6100.3°94.8°
C3C4C5N1145.2°142.9°
O10C4H5C5122.5°123.9°
O10C4C5H612.9°16.3°
O10C4C5N1101.6°106.0°
C4O10C11C12116.1°80.1°
C4O10C11C16123.1°157.3°
H5C4O10C11131.4°100.0°
H5C4C5H6134.8°142.4°
H5C4C5N120.3°20.1°
C11O10C4C5106.3°133.6°
O10C11C12C16118.2°122.1°
O10C11C12C13115.6°170.0°
O10C11C12H11107.7°69.8°
O10C11C16C15114.5°156.2°
O10C11C12N662.0°49.8°
O10C11C16N864.3°23.8°
C4C5H6N1121.6°122.3°
C4C5N1C653.9°91.9°
C4C5N1C10126.1°87.7°
H6C5N1C6172.2°145.8°
H6C5N1C107.8°34.6°
C5N1C6C10180.0°179.7°
C5N1C6H70.0°0.0°
C5N1C6N2179.9°179.9°
C5N1C10C7179.9°180.0°
C5N1C10N50.1°0.9°
N1C6H7N2180.0°179.9°
N1C6N2C70.3°0.0°
C6N1C10C70.1°0.4°
C6N1C10N5179.9°179.5°
H7C6N2C7179.7°180.0°
H7C6N1C10179.9°179.7°
N2C7C10C8179.7°179.8°
N2C7C8N4179.7°180.0°
N2C7C8N30.2°0.0°
N2C7C10N10.3°0.4°
N2C7C10N5179.9°179.7°
C6N2C7C100.3°0.3°
C6N2C7C8180.0°180.0°
N2C6N1C100.1°0.2°
C10C7C8N40.1°0.3°
C10C7C8N3179.8°179.8°
C7C10N5C90.4°0.5°
C7C10N1N5179.8°179.1°
C7C8N4N3179.9°179.9°
C7C8N3H8143.3°0.1°
C7C8N3H996.7°179.9°
C7C8N4C90.5°0.0°
C8C7C10N1180.0°179.8°
C8C7C10N50.2°0.5°
N4C8N3H836.8°180.0°
N4C8N3H983.2°0.0°
C8N4C9N51.1°0.0°
C8N4C9H10178.9°179.9°
C8N3H8H9120.0°180.0°
N3C8N4C9179.6°180.0°
N4C9N5H10180.0°179.9°
N4C9N5C101.0°0.3°
C9N5C10N1179.4°179.5°
H10C9N5C10179.0°179.7°
C11C12C13H1137.0°120.1°
C11C12C13N6177.8°120.2°
C11C12H11N6143.4°119.7°
C11C12C13C141.9°33.8°
C11C12C13H12178.0°146.3°
C12C11C16C152.3°34.0°
C11C12N6O12178.7°119.9°
C12C11C16N8178.9°146.0°
C11C12N6O112.1°60.0°
C16C11C12C132.6°47.9°
C16C11C12H11134.1°168.1°
C11C16C15C141.2°1.2°
C11C16C15H13178.8°178.9°
C11C16C15N8178.9°180.0°
C16C11C12N6179.8°72.3°
C11C16N8O15178.7°180.0°
C11C16N8O161.2°0.0°
C13C12H11N6148.4°119.7°
C12C13C14H12180.0°179.9°
C12C13C14N7179.8°178.7°
C12C13C14C150.7°1.3°
C13C12N6O120.9°119.5°
C13C12N6O11179.8°60.6°
H11C12C13C1435.0°153.9°
H11C12C13H12145.0°26.2°
H11C12N6O12157.5°0.3°
H11C12N6O1121.7°179.6°
C13C14N7C15179.6°180.0°
C13C14C15H13179.7°162.9°
C13C14C15C160.3°17.0°
C14C13C12N6179.8°86.4°
C13C14N7O140.5°0.0°
C13C14N7O13179.6°180.0°
H12C13C14N70.2°1.2°
H12C13C14C15179.3°178.8°
H12C13C12N60.2°93.5°
N7C14C15H130.2°17.1°
N7C14C15C16179.8°163.0°
C14N7O14O13179.9°180.0°
C14C15H13C16180.0°179.9°
C15C14N7O14179.9°180.0°
C15C14N7O130.0°0.0°
C14C15C16N8179.9°178.8°
H13C15C16N80.1°1.1°
C15C16N8O150.2°0.0°
C15C16N8O16179.9°180.0°
C12N6O12O11179.3°179.9°
C16N8O15O16179.9°180.0°

222415

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