2ON
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C6 | sing | 1.41Å | 1.40Å | |
| N1 | C6 | sing | 1.35Å | 1.34Å | |
| C6 | O6 | doub | 1.22Å | 1.22Å | |
| C2 | N1 | sing | 1.36Å | 1.34Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N3 | C2 | doub | 1.32Å | 1.34Å | |
| S2 | C2 | sing | 1.76Å | 1.76Å | |
| N3 | C4 | sing | 1.34Å | 1.35Å | |
| S2 | HS2 | sing | 1.41Å | 1.30Å | |
| N9 | C4 | sing | 1.37Å | 1.35Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| N7 | C5 | sing | 1.36Å | 1.35Å | Aromatic |
| N9 | C8 | sing | 1.37Å | 1.33Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.33Å | Aromatic |
| C8 | HC8 | sing | 1.08Å | 1.08Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | N1 | 119.5° | 118.3° |
| C5 | C6 | O6 | 121.1° | 120.8° |
| C6 | C5 | C4 | 118.0° | 118.6° |
| C6 | C5 | N7 | 136.0° | 134.1° |
| N1 | C6 | O6 | 119.4° | 120.9° |
| C6 | N1 | C2 | 120.3° | 120.3° |
| C6 | N1 | HN1 | 119.9° | 119.9° |
| C2 | N1 | HN1 | 119.9° | 119.8° |
| N1 | C2 | N3 | 123.4° | 121.9° |
| N1 | C2 | S2 | 117.8° | 119.1° |
| N3 | C2 | S2 | 118.8° | 119.1° |
| C2 | N3 | C4 | 118.4° | 121.1° |
| C2 | S2 | HS2 | 102.0° | 100.0° |
| N3 | C4 | N9 | 132.9° | 134.2° |
| N3 | C4 | C5 | 120.4° | 119.7° |
| N9 | C4 | C5 | 106.8° | 106.1° |
| C4 | N9 | C8 | 108.7° | 107.5° |
| C4 | N9 | HN9 | 125.7° | 126.3° |
| C4 | C5 | N7 | 106.0° | 107.2° |
| C5 | N7 | C8 | 109.1° | 109.4° |
| N9 | C8 | N7 | 109.5° | 109.8° |
| N9 | C8 | HC8 | 125.3° | 125.1° |
| C8 | N9 | HN9 | 125.6° | 126.2° |
| N7 | C8 | HC8 | 125.2° | 125.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | N1 | O6 | 179.7° | 179.7° |
| C5 | C6 | N1 | C2 | 0.3° | 0.3° |
| C5 | C6 | N1 | HN1 | 179.7° | 179.7° |
| C6 | C5 | C4 | N3 | 0.3° | 0.6° |
| C6 | C5 | C4 | N9 | 179.8° | 179.6° |
| C6 | C5 | C4 | N7 | 179.5° | 179.4° |
| C6 | C5 | N7 | C8 | 179.7° | 179.4° |
| C6 | N1 | C2 | HN1 | 180.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.2° | 0.0° |
| C6 | N1 | C2 | S2 | 179.9° | 180.0° |
| N1 | C6 | C5 | C4 | 0.3° | 0.6° |
| N1 | C6 | C5 | N7 | 179.7° | 179.8° |
| O6 | C6 | N1 | C2 | 179.5° | 179.9° |
| O6 | C6 | N1 | HN1 | 0.6° | 0.0° |
| O6 | C6 | C5 | C4 | 179.4° | 179.7° |
| O6 | C6 | C5 | N7 | 0.0° | 0.4° |
| N1 | C2 | N3 | S2 | 179.7° | 179.9° |
| N1 | C2 | N3 | C4 | 0.1° | 0.1° |
| N1 | C2 | S2 | HS2 | 179.7° | 180.0° |
| HN1 | N1 | C2 | N3 | 179.8° | 179.9° |
| HN1 | N1 | C2 | S2 | 0.1° | 0.0° |
| N3 | C2 | S2 | HS2 | 0.0° | 0.1° |
| C2 | N3 | C4 | N9 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.2° | 0.2° |
| S2 | C2 | N3 | C4 | 179.8° | 180.0° |
| N3 | C4 | N9 | C5 | 179.9° | 179.8° |
| N3 | C4 | C5 | N7 | 179.8° | 180.0° |
| N3 | C4 | N9 | C8 | 180.0° | 180.0° |
| N3 | C4 | N9 | HN9 | 0.0° | 0.1° |
| N9 | C4 | C5 | N7 | 0.3° | 0.2° |
| C4 | N9 | C8 | HN9 | 180.0° | 180.0° |
| C4 | N9 | C8 | N7 | 0.0° | 0.2° |
| C4 | N9 | C8 | HC8 | 179.9° | 180.0° |
| C5 | C4 | N9 | C8 | 0.2° | 0.2° |
| C4 | C5 | N7 | C8 | 0.3° | 0.1° |
| C5 | C4 | N9 | HN9 | 179.9° | 179.7° |
| C5 | N7 | C8 | N9 | 0.2° | 0.1° |
| C5 | N7 | C8 | HC8 | 179.8° | 179.8° |
| N9 | C8 | N7 | HC8 | 180.0° | 179.8° |
| N7 | C8 | N9 | HN9 | 179.9° | 179.8° |
| HC8 | C8 | N9 | HN9 | 0.1° | 0.0° |
