UNU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O08 | C07 | doub | 1.22Å | 1.24Å | |
| C07 | N09 | sing | 1.35Å | 1.34Å | |
| C07 | C06 | sing | 1.48Å | 1.52Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å | |
| N09 | H092 | sing | 0.97Å | 1.00Å | |
| C06 | C01 | doub | 1.40Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.41Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.40Å | Aromatic |
| C01 | H01 | sing | 1.08Å | 1.08Å | |
| C05 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C04 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C03 | C02 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C02 | H02 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O08 | C07 | N09 | 120.8° | 120.0° |
| O08 | C07 | C06 | 120.3° | 119.9° |
| N09 | C07 | C06 | 118.9° | 120.0° |
| C07 | N09 | H091 | 112.1° | 120.0° |
| C07 | N09 | H092 | 123.9° | 120.0° |
| C07 | C06 | C01 | 120.4° | 120.2° |
| C07 | C06 | C05 | 120.2° | 120.1° |
| H091 | N09 | H092 | 124.0° | 120.0° |
| C01 | C06 | C05 | 119.4° | 119.7° |
| C06 | C01 | C02 | 118.2° | 119.9° |
| C06 | C01 | H01 | 120.9° | 120.1° |
| C06 | C05 | C04 | 122.3° | 119.9° |
| C06 | C05 | H05 | 118.8° | 120.0° |
| C02 | C01 | H01 | 120.9° | 120.0° |
| C01 | C02 | C03 | 122.0° | 120.1° |
| C01 | C02 | H02 | 119.0° | 119.9° |
| C04 | C05 | H05 | 118.8° | 120.1° |
| C05 | C04 | C03 | 117.9° | 120.1° |
| C05 | C04 | H04 | 121.0° | 119.9° |
| C03 | C04 | H04 | 121.1° | 120.0° |
| C04 | C03 | C02 | 120.2° | 120.3° |
| C04 | C03 | H03 | 119.9° | 119.8° |
| C02 | C03 | H03 | 119.9° | 119.8° |
| C03 | C02 | H02 | 119.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O08 | C07 | N09 | C06 | 177.9° | 179.8° |
| O08 | C07 | N09 | H091 | 180.0° | 0.0° |
| O08 | C07 | N09 | H092 | 0.0° | 180.0° |
| O08 | C07 | C06 | C01 | 159.7° | 0.1° |
| O08 | C07 | C06 | C05 | 21.0° | 179.7° |
| C07 | N09 | H091 | H092 | 180.0° | 180.0° |
| N09 | C07 | C06 | C01 | 22.4° | 179.7° |
| N09 | C07 | C06 | C05 | 156.9° | 0.5° |
| C06 | C07 | N09 | H091 | 2.1° | 179.8° |
| C06 | C07 | N09 | H092 | 177.9° | 0.3° |
| C07 | C06 | C01 | C05 | 179.3° | 179.8° |
| C07 | C06 | C01 | C02 | 179.7° | 179.9° |
| C07 | C06 | C01 | H01 | 0.3° | 0.0° |
| C07 | C06 | C05 | C04 | 180.0° | 180.0° |
| C07 | C06 | C05 | H05 | 0.0° | 0.0° |
| C06 | C01 | C02 | H01 | 180.0° | 180.0° |
| C01 | C06 | C05 | C04 | 0.7° | 0.3° |
| C01 | C06 | C05 | H05 | 179.3° | 179.8° |
| C06 | C01 | C02 | C03 | 0.2° | 0.0° |
| C06 | C01 | C02 | H02 | 179.8° | 180.0° |
| C05 | C06 | C01 | C02 | 0.5° | 0.3° |
| C05 | C06 | C01 | H01 | 179.5° | 179.7° |
| C06 | C05 | C04 | H05 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 0.7° | 0.0° |
| C06 | C05 | C04 | H04 | 179.3° | 180.0° |
| C01 | C02 | C03 | C04 | 0.2° | 0.2° |
| C01 | C02 | C03 | H02 | 180.0° | 180.0° |
| C01 | C02 | C03 | H03 | 179.8° | 180.0° |
| H01 | C01 | C02 | C03 | 179.8° | 180.0° |
| H01 | C01 | C02 | H02 | 0.2° | 0.0° |
| C05 | C04 | C03 | H04 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 0.4° | 0.2° |
| C05 | C04 | C03 | H03 | 179.6° | 180.0° |
| H05 | C05 | C04 | C03 | 179.4° | 180.0° |
| H05 | C05 | C04 | H04 | 0.7° | 0.0° |
| C04 | C03 | C02 | H03 | 180.0° | 179.8° |
| C04 | C03 | C02 | H02 | 179.9° | 179.8° |
| H04 | C04 | C03 | C02 | 179.6° | 179.8° |
| H04 | C04 | C03 | H03 | 0.4° | 0.0° |
| H03 | C03 | C02 | H02 | 0.1° | 0.0° |
