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B9X

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O6C12sing1.43Å1.43Å
O6C13sing1.43Å1.43Å
C16C15sing1.53Å1.52Å
C12C11sing1.53Å1.53Å
C13C14sing1.53Å1.53Å
C15O7sing1.43Å1.43Å
O7C14sing1.43Å1.43Å
C11C10sing1.51Å1.52Å
C10O9doub1.21Å1.22Å
C10O1sing1.34Å1.46Å
O1C5sing1.45Å1.43Å
C6C5sing1.55Å1.51Å
C6C7sing1.55Å1.52Å
C5C8sing1.54Å1.52Å
CNdoub1.32Å1.35ÅAromatic
CN1sing1.32Å1.34ÅAromatic
NC3sing1.33Å1.36ÅAromatic
N1C1doub1.33Å1.36ÅAromatic
C3N4sing1.38Å1.36Å
C3C2doub1.41Å1.38ÅAromatic
C1C2sing1.41Å1.38ÅAromatic
C1N2sing1.37Å1.32ÅAromatic
C2N3sing1.35Å1.34ÅAromatic
C7N2sing1.46Å1.48Å
C7Osing1.44Å1.43Å
N2C4sing1.36Å1.34ÅAromatic
N3C4doub1.30Å1.35ÅAromatic
C8Osing1.44Å1.43Å
C8C9sing1.53Å1.51Å
C9O10sing1.43Å1.42Å
O11Psing1.61Å1.51Å
O10Psing1.61Å1.60Å
PO12sing1.61Å1.51Å
C5H1sing1.09Å1.10Å
C8H2sing1.09Å1.10Å
C9H3sing1.09Å1.10Å
C9H4sing1.09Å1.10Å
C7H5sing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C6H7sing1.09Å1.10Å
CH8sing1.08Å1.08Å
C4H9sing1.08Å1.08Å
N4H10sing0.97Å1.00Å
N4H11sing0.97Å1.00Å
C11H12sing1.09Å1.10Å
C11H13sing1.09Å1.10Å
C12H14sing1.09Å1.10Å
C12H15sing1.09Å1.10Å
C13H16sing1.09Å1.10Å
C13H17sing1.09Å1.10Å
C14H18sing1.09Å1.10Å
C14H19sing1.09Å1.10Å
C15H20sing1.09Å1.10Å
C15H21sing1.09Å1.10Å
C16H22sing1.09Å1.10Å
C16H23sing1.09Å1.10Å
C16H24sing1.09Å1.10Å
O11H25sing0.97Å0.95Å
O12H26sing0.97Å0.95Å
PO2doub1.48Å75.98Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C12O6C13115.7°114.0°
O6C12C11109.9°109.5°
O6C12H14109.4°109.4°
O6C12H15109.4°109.5°
O6C13C14110.6°109.4°
O6C13H16109.2°109.5°
O6C13H17109.2°109.5°
C16C15O7109.3°109.5°
C16C15H20109.5°109.4°
C16C15H21109.5°109.5°
C15C16H22109.5°109.5°
C15C16H23109.5°109.5°
C15C16H24109.5°109.5°
C12C11C10111.6°109.5°
C12C11H12109.0°109.4°
C12C11H13108.9°109.5°
C11C12H14109.4°109.4°
C11C12H15109.4°109.5°
C13C14O7109.5°109.5°
C14C13H16109.2°109.4°
C14C13H17109.2°109.5°
C13C14H18109.5°109.4°
C13C14H19109.5°109.5°
C15O7C14114.2°114.0°
O7C15H20109.5°109.5°
O7C15H21109.5°109.5°
O7C14H18109.5°109.5°
O7C14H19109.5°109.5°
C11C10O9120.8°120.0°
C11C10O1121.3°120.0°
C10C11H12108.9°109.5°
C10C11H13109.0°109.5°
O9C10O1117.9°120.0°
C10O1C5116.1°117.0°
O1C5C6113.2°110.5°
O1C5C8112.0°110.5°
O1C5H1110.5°110.4°
C5C6C7103.5°102.0°
C6C5C8102.3°104.2°
C6C5H1109.4°110.6°
C5C6H6110.9°110.9°
C5C6H7110.9°110.9°
C6C7N2105.9°110.5°
C6C7O107.0°103.5°
C6C7H5108.5°110.8°
C7C6H6110.9°110.9°
C7C6H7110.9°110.9°
C5C8O108.8°107.3°
C5C8C9110.2°109.9°
C8C5H1109.1°110.5°
C5C8H2109.9°109.9°
NCN1120.6°122.4°
CNC3121.2°121.2°
NCH8119.7°118.8°
CN1C1120.0°120.6°
N1CH8119.7°118.7°
NC3N4121.9°120.8°
NC3C2119.0°118.4°
N1C1C2120.6°119.1°
N1C1N2132.2°134.9°
N4C3C2119.1°120.8°
C3N4H10109.5°120.0°
C3N4H11109.5°120.0°
C3C2C1118.6°118.2°
C3C2N3133.3°134.7°
C2C1N2107.1°106.0°
C1C2N3108.1°107.1°
C1N2C7123.0°126.3°
C1N2C4109.0°107.4°
C2N3C4107.0°109.5°
N2C7O116.4°110.7°
C7N2C4127.9°126.3°
N2C7H5109.0°110.6°
C7OC8108.5°107.0°
OC7H5109.7°110.7°
N2C4N3108.8°109.9°
N2C4H9125.6°125.0°
N3C4H9125.6°125.1°
OC8C9106.6°109.9°
OC8H2111.2°109.9°
C8C9O10108.8°109.4°
C9C8H2110.0°110.1°
C8C9H3109.6°109.4°
C8C9H4109.7°109.5°
C9O10P119.6°123.0°
O10C9H3109.6°109.4°
O10C9H4109.7°109.5°
O11PO10108.8°109.5°
O11PO12109.7°109.5°
PO11H25109.5°114.0°
O11PO286.0°109.5°
O10PO12106.8°109.5°
O10PO2160.3°109.5°
PO12H26109.5°114.0°
O12PO254.8°109.5°
H3C9H4109.5°109.5°
H6C6H7109.5°110.9°
H10N4H11109.5°120.0°
H12C11H13109.5°109.5°
H14C12H15109.5°109.5°
H16C13H17109.5°109.5°
H18C14H19109.5°109.4°
H20C15H21109.5°109.5°
H22C16H23109.5°109.5°
H22C16H24109.5°109.5°
H23C16H24109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O6C12C11H14120.1°119.9°
O6C12C11H15120.1°120.0°
C12O6C13C14106.5°180.0°
O6C12C11C10105.5°180.0°
O6C12C11H12134.2°60.1°
O6C12C11H1314.8°60.0°
O6C12H14H15119.8°120.0°
C12O6C13H16133.3°60.0°
C12O6C13H1713.7°60.0°
C13O6C12C1182.2°180.0°
O6C13C14H16120.1°119.9°
O6C13C14H17120.2°120.0°
O6C13C14O7120.7°65.0°
C13O6C12H1437.9°60.1°
C13O6C12H15157.8°60.0°
O6C13H16H17119.5°120.0°
O6C13C14H18119.3°175.0°
O6C13C14H190.7°55.1°
C16C15O7H20120.0°120.0°
C16C15O7H21120.0°120.0°
C16C15O7C14172.0°180.0°
C16C15H20H21120.1°120.0°
C15C16H22H23120.0°120.1°
C15C16H22H24120.0°120.0°
C15C16H23H24120.0°120.0°
C12C11C10H12120.3°119.9°
C12C11C10H13120.3°120.0°
C12C11C10O929.2°0.0°
C12C11C10O1151.1°179.8°
C12C11H12H13119.0°120.1°
C11C12H14H15119.8°120.1°
C13C14O7C15151.7°180.0°
C13C14O7H18120.0°120.0°
C13C14O7H19120.0°120.0°
C14C13H16H17119.5°120.0°
C13C14H18H19120.0°120.0°
C15O7C14H1888.3°60.0°
C15O7C14H1931.7°60.0°
O7C15H20H21120.0°120.0°
O7C15C16H22180.0°60.0°
O7C15C16H2360.0°180.0°
O7C15C16H2460.0°60.1°
O7C14C13H160.5°55.0°
O7C14C13H17119.2°175.0°
O7C14H18H19120.0°120.0°
C14O7C15H2052.1°60.0°
C14O7C15H2168.0°60.0°
C11C10O9O1179.7°179.8°
C11C10O1C584.1°179.7°
C10C11H12H13119.0°120.0°
C10C11C12H1414.5°60.1°
C10C11C12H15134.4°60.0°
O9C10O1C595.7°0.0°
O9C10C11H12149.6°120.0°
O9C10C11H1391.1°120.0°
C10O1C5C612.4°95.2°
C10O1C5C8127.5°150.0°
C10O1C5H1110.6°27.4°
O1C10C11H1230.7°60.3°
O1C10C11H1388.6°59.7°
O1C5C6C8120.7°118.7°
O1C5C6H1123.7°122.5°
O1C5C6C791.1°97.8°
O1C5C8H1122.6°122.5°
O1C5C8O101.2°120.7°
O1C5C8C9142.3°119.9°
O1C5C8H220.9°1.3°
O1C5C6H6149.9°144.0°
O1C5C6H727.9°20.4°
C5C6C7H6119.0°118.1°
C5C6C7H7119.0°118.1°
C6C5C8H1115.8°118.8°
C5C6C7N2154.8°155.5°
C5C6C7O30.0°37.0°
C6C5C8O20.4°2.0°
C6C5C8C996.2°121.4°
C6C5C8H2142.5°117.4°
C5C6C7H588.2°81.6°
C5C6H6H7122.8°123.6°
C7C6C5C829.6°20.9°
C6C7N2C1120.5°89.8°
C6C7N2O118.8°114.0°
C6C7N2H5116.6°123.0°
C6C7OH5117.5°118.7°
C6C7N2C455.9°90.6°
C6C7OC817.5°40.1°
C7C6C5H1145.2°139.7°
C7C6H6H7122.7°123.8°
C5C8OC72.0°26.6°
C5C8OC9118.8°119.4°
C5C8OH2121.2°119.4°
C5C8C9H2121.3°121.1°
C5C8C9O10179.3°175.0°
C5C8C9H359.4°55.1°
C5C8C9H460.8°65.0°
C8C5C6H689.4°97.3°
C8C5C6H7148.6°139.1°
NCN1H8180.0°180.0°
NCN1C10.1°0.0°
CNC3N4180.0°179.9°
CNC3C20.2°0.0°
N1CNC30.1°0.1°
CN1C1C20.0°0.0°
CN1C1N2179.1°179.9°
NC3N4C2179.8°180.0°
NC3C2C10.1°0.0°
NC3C2N3180.0°179.8°
C3NCH8179.9°179.9°
NC3N4H100.0°180.0°
NC3N4H11120.0°0.0°
N1C1C2C30.1°0.0°
N1C1C2N2179.3°179.9°
N1C1C2N3180.0°179.8°
N1C1N2C72.7°0.1°
N1C1N2C4179.7°179.8°
C1N1CH8180.0°180.0°
N4C3C2C1180.0°179.9°
N4C3C2N30.1°0.2°
C3N4H10H11120.0°179.9°
C3C2C1N3179.9°179.8°
C3C2C1N2179.3°179.9°
C3C2N3C4180.0°179.8°
C2C3N4H10179.8°0.1°
C2C3N4H1159.9°180.0°
C2C1N2C7178.1°179.9°
C2C1N2C41.2°0.3°
C1C2N3C40.1°0.0°
N2C1C2N30.8°0.2°
C1N2C7C4176.4°179.6°
C1N2C7O120.8°156.2°
C1N2C4N31.1°0.3°
C1N2C7H53.9°33.2°
C1N2C4H9178.9°179.7°
C2N3C4N20.6°0.2°
C2N3C4H9179.4°179.8°
N2C7OH5124.3°122.9°
C7N2C4N3177.9°179.9°
N2C7OC8135.7°158.5°
N2C7C6H635.8°37.4°
N2C7C6H786.1°86.3°
C7N2C4H92.1°0.0°
OC7N2C462.9°23.4°
C7OC8C9116.8°145.9°
C7OC8H2123.3°92.8°
OC7C6H689.0°81.1°
OC7C6H7149.1°155.2°
N2C4N3H9180.0°180.0°
C4N2C7H5172.4°146.4°
OC8C9H2120.7°121.1°
OC8C9O1062.8°67.2°
OC8C5H1136.2°116.8°
OC8C9H3177.4°172.9°
OC8C9H457.1°52.8°
C8OC7H5100.0°78.5°
C8C9O10H3119.9°119.9°
C8C9O10H4119.9°120.0°
C8C9O10P175.2°180.0°
C9C8C5H119.6°2.6°
C8C9H3H4120.3°120.0°
C9O10PO111.5°175.0°
C9O10PO12116.9°65.0°
O10C9C8H258.0°53.9°
O10C9H3H4120.3°120.1°
C9O10PO2135.6°55.0°
O11PO10O12118.3°120.0°
O11PO10O2137.1°120.0°
O11PO12O269.9°120.0°
O11PO12H26180.0°60.0°
O10PO12O2172.4°120.0°
PO10C9H355.3°60.1°
PO10C9H464.9°60.0°
O10PO11H25180.0°180.0°
O10PO12H2662.2°60.0°
O12PO11H2563.5°60.0°
H1C5C8H2101.7°123.8°
H1C5C6H626.2°21.5°
H1C5C6H795.7°102.1°
H2C8C9H361.9°66.0°
H2C8C9H4177.9°174.0°
H5C7C6H6152.7°160.3°
H5C7C6H730.8°36.6°
H12C11C12H14105.8°NaN°
H12C11C12H1514.1°59.9°
H13C11C12H14134.9°59.9°
H13C11C12H15105.2°180.0°
H16C13C14H18120.5°65.1°
H16C13C14H19119.5°175.0°
H17C13C14H180.8°55.0°
H17C13C14H19120.8°65.0°
H20C15C16H2260.0°60.0°
H20C15C16H2360.0°60.0°
H20C15C16H24180.0°180.0°
H21C15C16H2260.0°179.9°
H21C15C16H23180.0°60.0°
H21C15C16H2460.0°59.9°
H22C16H23H24120.0°120.0°
H25O11PO213.3°60.0°
H26O12PO2110.1°180.0°

222415

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