D6O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OB1 | CG1 | doub | 1.21Å | 1.22Å | |
| CG1 | NE1 | sing | 1.35Å | 1.33Å | |
| OB | CG | doub | 1.22Å | 1.24Å | |
| OB2 | CG | sing | 1.35Å | 1.25Å | |
| NE1 | CZ | sing | 1.35Å | 1.33Å | |
| CG | CD2 | sing | 1.48Å | 1.47Å | |
| CZ | OH | doub | 1.21Å | 1.21Å | |
| CZ | CE2 | sing | 1.48Å | 1.47Å | |
| CD2 | CE2 | doub | 1.34Å | 1.33Å | |
| NE1 | H1 | sing | 0.97Å | 1.00Å | |
| CE2 | H2 | sing | 1.08Å | 1.08Å | |
| CD2 | H3 | sing | 1.08Å | 1.08Å | |
| CG1 | H4 | sing | 1.08Å | 1.08Å | |
| OB2 | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OB1 | CG1 | NE1 | 119.5° | 120.0° |
| OB1 | CG1 | H4 | 120.2° | 120.0° |
| CG1 | NE1 | CZ | 120.8° | 120.0° |
| CG1 | NE1 | H1 | 119.6° | 120.0° |
| NE1 | CG1 | H4 | 120.3° | 120.0° |
| OB | CG | OB2 | 121.8° | 120.0° |
| OB | CG | CD2 | 119.0° | 120.0° |
| OB2 | CG | CD2 | 119.1° | 120.0° |
| CG | OB2 | H5 | 109.5° | 117.0° |
| NE1 | CZ | OH | 122.4° | 120.0° |
| NE1 | CZ | CE2 | 119.4° | 120.0° |
| CZ | NE1 | H1 | 119.6° | 120.0° |
| CG | CD2 | CE2 | 124.2° | 120.0° |
| CG | CD2 | H3 | 117.9° | 119.9° |
| OH | CZ | CE2 | 118.2° | 120.0° |
| CZ | CE2 | CD2 | 125.3° | 120.0° |
| CZ | CE2 | H2 | 117.3° | 120.0° |
| CD2 | CE2 | H2 | 117.3° | 120.0° |
| CE2 | CD2 | H3 | 117.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OB1 | CG1 | NE1 | H4 | 180.0° | 179.9° |
| OB1 | CG1 | NE1 | CZ | 161.8° | 0.0° |
| OB1 | CG1 | NE1 | H1 | 18.2° | 180.0° |
| CG1 | NE1 | CZ | H1 | 180.0° | 180.0° |
| CG1 | NE1 | CZ | OH | 34.7° | 0.0° |
| CG1 | NE1 | CZ | CE2 | 145.4° | 180.0° |
| OB | CG | OB2 | CD2 | 179.3° | 179.7° |
| OB | CG | CD2 | CE2 | 3.8° | 6.0° |
| OB | CG | CD2 | H3 | 176.2° | 174.0° |
| OB | CG | OB2 | H5 | 0.0° | 0.1° |
| OB2 | CG | CD2 | CE2 | 176.9° | 173.7° |
| OB2 | CG | CD2 | H3 | 3.1° | 6.3° |
| NE1 | CZ | OH | CE2 | 179.9° | 180.0° |
| NE1 | CZ | CE2 | CD2 | 8.1° | 171.6° |
| NE1 | CZ | CE2 | H2 | 171.9° | 8.4° |
| CZ | NE1 | CG1 | H4 | 18.2° | 180.0° |
| CG | CD2 | CE2 | CZ | 0.7° | 30.6° |
| CG | CD2 | CE2 | H3 | 180.0° | 180.0° |
| CG | CD2 | CE2 | H2 | 179.4° | 149.4° |
| CD2 | CG | OB2 | H5 | 179.3° | 179.7° |
| OH | CZ | CE2 | CD2 | 171.9° | 8.4° |
| OH | CZ | NE1 | H1 | 145.3° | 180.0° |
| OH | CZ | CE2 | H2 | 8.0° | 171.6° |
| CZ | CE2 | CD2 | H2 | 180.0° | 180.0° |
| CE2 | CZ | NE1 | H1 | 34.6° | 0.0° |
| CZ | CE2 | CD2 | H3 | 179.3° | 149.4° |
| H1 | NE1 | CG1 | H4 | 161.7° | 0.1° |
| H2 | CE2 | CD2 | H3 | 0.7° | 30.7° |
