W0E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O09 | C04 | sing | 1.36Å | 1.40Å | |
| C03 | C04 | doub | 1.39Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.38Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C02 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| C06 | N08 | sing | 1.40Å | 1.45Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å | |
| N08 | H082 | sing | 0.97Å | 1.00Å | |
| O09 | H091 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O09 | C04 | C03 | 120.7° | 120.1° |
| O09 | C04 | C05 | 119.7° | 120.0° |
| C04 | O09 | H091 | 109.5° | 113.9° |
| C04 | C03 | C02 | 120.1° | 120.1° |
| C03 | C04 | C05 | 119.7° | 119.9° |
| C04 | C03 | H031 | 119.9° | 119.9° |
| C03 | C02 | C01 | 120.2° | 119.9° |
| C03 | C02 | C07 | 120.0° | 120.1° |
| C02 | C03 | H031 | 119.9° | 119.9° |
| C04 | C05 | C06 | 120.2° | 119.9° |
| C04 | C05 | H051 | 119.9° | 120.1° |
| C01 | C02 | C07 | 119.8° | 120.0° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C07 | C06 | 119.8° | 120.1° |
| C02 | C07 | H071 | 120.1° | 120.0° |
| C05 | C06 | C07 | 120.2° | 119.9° |
| C05 | C06 | N08 | 119.5° | 120.1° |
| C06 | C05 | H051 | 119.9° | 120.1° |
| C07 | C06 | N08 | 120.3° | 120.0° |
| C06 | C07 | H071 | 120.1° | 120.0° |
| C06 | N08 | H081 | 109.5° | 120.0° |
| C06 | N08 | H082 | 109.4° | 120.1° |
| H011 | C01 | H012 | 109.4° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H081 | N08 | H082 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O09 | C04 | C03 | C05 | 180.0° | 180.0° |
| O09 | C04 | C03 | C02 | 180.0° | 179.9° |
| O09 | C04 | C05 | C06 | 179.9° | 179.9° |
| O09 | C04 | C03 | H031 | 0.0° | 0.0° |
| O09 | C04 | C05 | H051 | 0.0° | 0.0° |
| C04 | C03 | C02 | H031 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 180.0° | 180.0° |
| C04 | C03 | C02 | C07 | 0.0° | 0.3° |
| C03 | C04 | C05 | C06 | 0.0° | 0.0° |
| C03 | C04 | C05 | H051 | 180.0° | 180.0° |
| C03 | C04 | O09 | H091 | 180.0° | 90.0° |
| C02 | C03 | C04 | C05 | 0.0° | 0.0° |
| C03 | C02 | C01 | C07 | 179.9° | 179.7° |
| C03 | C02 | C07 | C06 | 0.1° | 0.5° |
| C03 | C02 | C01 | H011 | 90.0° | 89.7° |
| C03 | C02 | C01 | H012 | 150.0° | 30.3° |
| C03 | C02 | C01 | H013 | 30.0° | 150.3° |
| C03 | C02 | C07 | H071 | 179.9° | 179.7° |
| C04 | C05 | C06 | H051 | 180.0° | 179.9° |
| C04 | C05 | C06 | C07 | 0.1° | 0.3° |
| C04 | C05 | C06 | N08 | 179.8° | 180.0° |
| C05 | C04 | C03 | H031 | 180.0° | 180.0° |
| C05 | C04 | O09 | H091 | 0.0° | 90.1° |
| C01 | C02 | C07 | C06 | 179.9° | 179.7° |
| C02 | C01 | H011 | H012 | 120.0° | 120.1° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 0.0° | 0.0° |
| C01 | C02 | C07 | H071 | 0.0° | 0.0° |
| C02 | C07 | C06 | C05 | 0.2° | 0.5° |
| C02 | C07 | C06 | H071 | 180.0° | 179.8° |
| C02 | C07 | C06 | N08 | 179.8° | 179.8° |
| C07 | C02 | C01 | H011 | 89.9° | 90.0° |
| C07 | C02 | C01 | H012 | 30.0° | 150.0° |
| C07 | C02 | C01 | H013 | 150.0° | 30.0° |
| C07 | C02 | C03 | H031 | 179.9° | 179.7° |
| C05 | C06 | C07 | N08 | 180.0° | 179.7° |
| C05 | C06 | C07 | H071 | 179.8° | 179.7° |
| C05 | C06 | N08 | H081 | 180.0° | 0.1° |
| C05 | C06 | N08 | H082 | 60.0° | 180.0° |
| C07 | C06 | C05 | H051 | 179.9° | 179.8° |
| C07 | C06 | N08 | H081 | 0.0° | 179.8° |
| C07 | C06 | N08 | H082 | 120.0° | 0.3° |
| N08 | C06 | C05 | H051 | 0.2° | 0.1° |
| N08 | C06 | C07 | H071 | 0.2° | 0.0° |
| C06 | N08 | H081 | H082 | 120.0° | 179.9° |
| H011 | C01 | H012 | H013 | 120.0° | 119.9° |
