PO6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OI | CK | sing | 1.36Å | 1.37Å | |
| OI | CH | sing | 1.43Å | 1.44Å | |
| OB | CJ | doub | 1.21Å | 1.23Å | |
| CG | CK | doub | 1.39Å | 1.39Å | Aromatic |
| CG | CE | sing | 1.38Å | 1.39Å | Aromatic |
| NA | CJ | sing | 1.35Å | 1.34Å | |
| CJ | CH | sing | 1.51Å | 1.54Å | |
| CK | CF | sing | 1.39Å | 1.39Å | Aromatic |
| CE | CC | doub | 1.38Å | 1.39Å | Aromatic |
| CF | CD | doub | 1.38Å | 1.39Å | Aromatic |
| CC | CD | sing | 1.38Å | 1.39Å | Aromatic |
| CF | H1 | sing | 1.08Å | 1.08Å | |
| CD | H2 | sing | 1.08Å | 1.08Å | |
| CC | H3 | sing | 1.08Å | 1.08Å | |
| CE | H4 | sing | 1.08Å | 1.08Å | |
| CG | H5 | sing | 1.08Å | 1.08Å | |
| CH | H6 | sing | 1.09Å | 1.10Å | |
| CH | H7 | sing | 1.09Å | 1.10Å | |
| NA | H8 | sing | 0.97Å | 1.00Å | |
| NA | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CK | OI | CH | 112.6° | 117.0° |
| OI | CK | CG | 119.6° | 120.1° |
| OI | CK | CF | 121.5° | 120.0° |
| OI | CH | CJ | 111.5° | 109.5° |
| OI | CH | H6 | 109.0° | 109.5° |
| OI | CH | H7 | 108.9° | 109.5° |
| OB | CJ | NA | 122.0° | 120.0° |
| OB | CJ | CH | 117.0° | 120.0° |
| CK | CG | CE | 120.9° | 119.9° |
| CG | CK | CF | 118.9° | 119.9° |
| CK | CG | H5 | 119.5° | 120.1° |
| CG | CE | CC | 120.1° | 120.0° |
| CG | CE | H4 | 119.9° | 120.0° |
| CE | CG | H5 | 119.6° | 120.0° |
| NA | CJ | CH | 120.8° | 120.0° |
| CJ | NA | H8 | 120.0° | 120.0° |
| CJ | NA | H9 | 120.0° | 120.0° |
| CJ | CH | H6 | 109.0° | 109.5° |
| CJ | CH | H7 | 109.0° | 109.5° |
| CK | CF | CD | 120.2° | 119.9° |
| CK | CF | H1 | 119.9° | 120.0° |
| CE | CC | CD | 119.0° | 120.1° |
| CE | CC | H3 | 120.5° | 120.0° |
| CC | CE | H4 | 119.9° | 120.0° |
| CF | CD | CC | 120.8° | 120.1° |
| CD | CF | H1 | 119.9° | 120.1° |
| CF | CD | H2 | 119.6° | 119.9° |
| CC | CD | H2 | 119.6° | 120.0° |
| CD | CC | H3 | 120.5° | 119.9° |
| H6 | CH | H7 | 109.5° | 109.5° |
| H8 | NA | H9 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OI | CK | CG | CF | 179.2° | 179.5° |
| OI | CK | CG | CE | 179.8° | 180.0° |
| CK | OI | CH | CJ | 173.0° | 180.0° |
| OI | CK | CF | CD | 179.6° | 180.0° |
| OI | CK | CF | H1 | 0.4° | 0.3° |
| OI | CK | CG | H5 | 0.2° | 0.4° |
| CK | OI | CH | H6 | 66.6° | 60.0° |
| CK | OI | CH | H7 | 52.7° | 60.0° |
| OI | CH | CJ | OB | 45.9° | 0.0° |
| CH | OI | CK | CG | 154.1° | 180.0° |
| OI | CH | CJ | NA | 137.7° | 180.0° |
| OI | CH | CJ | H6 | 120.3° | 120.0° |
| OI | CH | CJ | H7 | 120.3° | 120.0° |
| CH | OI | CK | CF | 26.8° | 0.5° |
| OI | CH | H6 | H7 | 119.0° | 120.0° |
| OB | CJ | NA | CH | 176.1° | 180.0° |
| OB | CJ | CH | H6 | 166.2° | 120.0° |
| OB | CJ | CH | H7 | 74.4° | 120.0° |
| OB | CJ | NA | H8 | 0.0° | 179.9° |
| OB | CJ | NA | H9 | 180.0° | 0.0° |
| CK | CG | CE | H5 | 180.0° | 179.6° |
| CK | CG | CE | CC | 0.3° | 0.2° |
| CG | CK | CF | CD | 1.2° | 0.5° |
| CG | CK | CF | H1 | 178.8° | 179.8° |
| CK | CG | CE | H4 | 179.7° | 179.8° |
| CE | CG | CK | CF | 1.1° | 0.5° |
| CG | CE | CC | H4 | 180.0° | 180.0° |
| CG | CE | CC | CD | 0.3° | 0.0° |
| CG | CE | CC | H3 | 179.6° | 180.0° |
| NA | CJ | CH | H6 | 17.4° | 60.0° |
| NA | CJ | CH | H7 | 102.0° | 60.0° |
| CJ | NA | H8 | H9 | 180.0° | 180.0° |
| CJ | CH | H6 | H7 | 119.1° | 120.0° |
| CH | CJ | NA | H8 | 176.1° | 0.0° |
| CH | CJ | NA | H9 | 3.8° | 180.0° |
| CK | CF | CD | H1 | 180.0° | 179.7° |
| CK | CF | CD | CC | 0.6° | 0.2° |
| CK | CF | CD | H2 | 179.4° | 179.8° |
| CF | CK | CG | H5 | 178.9° | 180.0° |
| CE | CC | CD | CF | 0.2° | 0.0° |
| CE | CC | CD | H3 | 180.0° | 180.0° |
| CE | CC | CD | H2 | 179.8° | 179.9° |
| CC | CE | CG | H5 | 179.7° | 179.8° |
| CF | CD | CC | H2 | 180.0° | 179.9° |
| CF | CD | CC | H3 | 179.8° | 180.0° |
| CC | CD | CF | H1 | 179.4° | 180.0° |
| CD | CC | CE | H4 | 179.7° | 180.0° |
| H1 | CF | CD | H2 | 0.6° | 0.1° |
| H2 | CD | CC | H3 | 0.2° | 0.0° |
| H3 | CC | CE | H4 | 0.3° | 0.0° |
| H4 | CE | CG | H5 | 0.3° | 0.2° |
