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2E6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O15P13doub1.48Å1.59Å
O12P13sing1.61Å1.60Å
O12P9sing1.61Å1.59Å
O11P9doub1.48Å1.60Å
P13O16sing1.61Å1.59Å
P13O14sing1.61Å1.49Å
O10P9sing1.61Å1.48Å
P9O8sing1.61Å1.59Å
O8C7sing1.43Å1.43Å
C3N4doub1.32Å1.35ÅAromatic
C3C2sing1.38Å1.39ÅAromatic
N4C5sing1.32Å1.36ÅAromatic
C2C1doub1.39Å1.39ÅAromatic
C5C7sing1.51Å1.53Å
C5C6doub1.38Å1.39ÅAromatic
C1C6sing1.39Å1.40ÅAromatic
C1H1sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
O14H4sing0.97Å0.95Å
O16H5sing0.97Å0.95Å
O10H6sing0.97Å0.95Å
C7H7sing1.09Å1.10Å
C7H8sing1.09Å1.10Å
C6H9sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O15P13O12107.5°109.4°
O15P13O16108.8°109.5°
O15P13O14109.7°109.4°
P13O12P9122.2°134.0°
O12P13O16107.2°109.5°
O12P13O14114.4°109.5°
O12P9O11112.7°109.5°
O12P9O10106.8°109.5°
O12P9O8110.0°109.5°
O11P9O10109.4°109.4°
O11P9O8109.4°109.4°
O16P13O14109.2°109.5°
P13O16H5109.5°114.0°
P13O14H4109.5°113.9°
O10P9O8108.6°109.4°
P9O10H6109.5°114.0°
P9O8C7122.3°123.0°
O8C7C5108.9°109.4°
O8C7H7109.7°109.5°
O8C7H8109.6°109.5°
N4C3C2120.9°120.7°
C3N4C5121.5°121.7°
N4C3H3119.5°119.6°
C3C2C1118.7°119.2°
C3C2H2120.7°120.4°
C2C3H3119.6°119.7°
N4C5C7120.3°119.6°
N4C5C6119.4°120.8°
C2C1C6119.5°118.5°
C2C1H1120.2°120.8°
C1C2H2120.6°120.5°
C7C5C6120.2°119.6°
C5C7H7109.6°109.5°
C5C7H8109.6°109.5°
C5C6C1119.9°119.1°
C5C6H9120.1°120.4°
C6C1H1120.2°120.8°
C1C6H9120.1°120.5°
H7C7H8109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O15P13O12O16116.8°120.0°
O15P13O12O14122.0°119.9°
O15P13O12P9109.4°40.0°
O15P13O16O14119.7°120.0°
O15P13O14H40.0°180.0°
O15P13O16H50.0°60.0°
P13O12P9O1155.2°45.0°
O12P13O16O14124.4°120.0°
P13O12P9O10175.3°75.0°
P13O12P9O867.1°165.0°
O12P13O14H4120.8°60.1°
O12P13O16H5115.9°180.0°
O12P9O11O10118.6°120.0°
O12P9O11O8122.7°120.0°
P9O12P13O16133.8°160.0°
P9O12P13O1412.6°80.0°
O12P9O10O8118.6°120.0°
O12P9O8C785.7°175.0°
O12P9O10H6122.2°60.0°
O11P9O10O8119.3°119.9°
O11P9O8C7150.0°55.0°
O11P9O10H60.0°180.0°
O16P13O14H4119.1°60.0°
O14P13O16H5119.6°60.0°
O10P9O8C730.8°65.0°
P9O8C7C578.3°180.0°
O8P9O10H6119.2°60.1°
P9O8C7H741.6°60.0°
P9O8C7H8161.8°60.0°
O8C7C5N4111.9°179.4°
O8C7C5H7119.9°120.0°
O8C7C5H8119.9°120.0°
O8C7C5C669.2°0.0°
O8C7H7H8120.3°120.0°
N4C3C2H3180.0°180.0°
N4C3C2C10.5°0.0°
C3N4C5C7179.6°180.0°
C3N4C5C60.6°0.6°
N4C3C2H2179.5°179.9°
C2C3N4C50.0°0.3°
C3C2C1H2180.0°179.9°
C3C2C1C60.3°0.0°
C3C2C1H1179.7°179.8°
N4C5C7C6178.9°179.4°
N4C5C6C10.9°0.6°
C5N4C3H3179.9°179.7°
N4C5C7H78.1°59.4°
N4C5C7H8128.2°60.6°
N4C5C6H9179.2°179.4°
C2C1C6C50.4°0.3°
C2C1C6H1180.0°179.8°
C1C2C3H3179.5°180.0°
C2C1C6H9179.6°179.7°
C7C5C6C1179.8°180.0°
C5C7H7H8120.3°120.0°
C7C5C6H90.2°0.0°
C5C6C1H9180.0°179.9°
C5C6C1H1179.6°180.0°
C6C5C7H7170.9°120.0°
C6C5C7H850.7°120.0°
C6C1C2H2179.7°179.9°
H1C1C2H20.3°0.3°
H1C1C6H90.4°0.1°
H2C2C3H30.5°0.1°

251801

PDB entries from 2026-04-08

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