8NX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.34Å | 1.38Å | |
| N1 | C6 | sing | 1.35Å | 1.37Å | |
| C2 | O2 | doub | 1.22Å | 1.19Å | |
| C2 | N3 | sing | 1.35Å | 1.40Å | |
| N3 | C4 | sing | 1.39Å | 1.33Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | N9 | sing | 1.34Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.45Å | |
| C5 | N7 | sing | 1.38Å | 1.33Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.24Å | |
| N7 | C8 | sing | 1.35Å | 1.30Å | Aromatic |
| C8 | N9 | doub | 1.31Å | 1.35Å | Aromatic |
| C8 | N10 | sing | 1.48Å | 1.34Å | |
| N10 | O11 | doub | 1.22Å | 1.25Å | |
| N10 | O12 | sing | 1.22Å | 1.27Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 128.7° | 121.0° |
| N1 | C2 | O2 | 122.2° | 119.2° |
| N1 | C2 | N3 | 116.6° | 121.6° |
| C2 | N1 | HN1 | 115.7° | 119.5° |
| N1 | C6 | C5 | 113.7° | 119.2° |
| N1 | C6 | O6 | 120.5° | 120.4° |
| C6 | N1 | HN1 | 115.7° | 119.5° |
| O2 | C2 | N3 | 121.3° | 119.2° |
| C2 | N3 | C4 | 116.2° | 120.1° |
| C2 | N3 | HN3 | 121.9° | 119.9° |
| N3 | C4 | C5 | 128.4° | 118.9° |
| N3 | C4 | N9 | 127.0° | 133.9° |
| C4 | N3 | HN3 | 121.9° | 120.0° |
| C5 | C4 | N9 | 104.3° | 107.3° |
| C4 | C5 | C6 | 115.9° | 119.2° |
| C4 | C5 | N7 | 113.2° | 106.3° |
| C4 | N9 | C8 | 103.3° | 109.8° |
| C6 | C5 | N7 | 130.8° | 134.6° |
| C5 | C6 | O6 | 125.7° | 120.4° |
| C5 | N7 | C8 | 102.2° | 107.0° |
| C5 | N7 | HN7 | 128.9° | 126.5° |
| N7 | C8 | N9 | 116.9° | 109.8° |
| N7 | C8 | N10 | 130.3° | 125.1° |
| C8 | N7 | HN7 | 128.9° | 126.5° |
| N9 | C8 | N10 | 112.6° | 125.1° |
| C8 | N10 | O11 | 124.2° | 120.0° |
| C8 | N10 | O12 | 119.4° | 120.0° |
| O11 | N10 | O12 | 116.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | HN1 | 180.0° | 179.7° |
| N1 | C2 | O2 | N3 | 179.9° | 180.0° |
| N1 | C2 | N3 | C4 | 2.7° | 0.1° |
| C2 | N1 | C6 | C5 | 3.1° | 0.0° |
| C2 | N1 | C6 | O6 | 179.1° | 180.0° |
| N1 | C2 | N3 | HN3 | 177.3° | 180.0° |
| C6 | N1 | C2 | O2 | 179.0° | 179.9° |
| C6 | N1 | C2 | N3 | 1.1° | 0.0° |
| N1 | C6 | C5 | C4 | 6.3° | 0.0° |
| N1 | C6 | C5 | O6 | 175.8° | 180.0° |
| N1 | C6 | C5 | N7 | 176.9° | 180.0° |
| O2 | C2 | N3 | C4 | 177.4° | 179.9° |
| O2 | C2 | N1 | HN1 | 1.0° | 0.3° |
| O2 | C2 | N3 | HN3 | 2.6° | 0.0° |
| C2 | N3 | C4 | HN3 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 7.4° | 0.0° |
| C2 | N3 | C4 | N9 | 179.8° | 180.0° |
| N3 | C2 | N1 | HN1 | 178.9° | 179.7° |
| N3 | C4 | C5 | N9 | 173.7° | 180.0° |
| N3 | C4 | C5 | C6 | 9.4° | 0.0° |
| N3 | C4 | C5 | N7 | 173.2° | 180.0° |
| N3 | C4 | N9 | C8 | 175.3° | 180.0° |
| C4 | C5 | C6 | N7 | 176.8° | 180.0° |
| C4 | C5 | C6 | O6 | 177.9° | 180.0° |
| C4 | C5 | N7 | C8 | 2.2° | 0.0° |
| C5 | C4 | N9 | C8 | 1.4° | 0.0° |
| C5 | C4 | N3 | HN3 | 172.6° | 180.0° |
| C4 | C5 | N7 | HN7 | 177.8° | 180.0° |
| N9 | C4 | C5 | C6 | 176.9° | 180.0° |
| N9 | C4 | C5 | N7 | 0.5° | 0.0° |
| C4 | N9 | C8 | N7 | 3.1° | 0.0° |
| C4 | N9 | C8 | N10 | 179.0° | 180.0° |
| N9 | C4 | N3 | HN3 | 0.2° | 0.0° |
| C6 | C5 | N7 | C8 | 174.7° | 180.0° |
| C5 | C6 | N1 | HN1 | 176.9° | 179.7° |
| C6 | C5 | N7 | HN7 | 5.3° | 0.0° |
| N7 | C5 | C6 | O6 | 1.1° | 0.0° |
| C5 | N7 | C8 | HN7 | 180.0° | 180.0° |
| C5 | N7 | C8 | N9 | 3.4° | 0.0° |
| C5 | N7 | C8 | N10 | 178.4° | 180.0° |
| O6 | C6 | N1 | HN1 | 0.9° | 0.3° |
| N7 | C8 | N9 | N10 | 175.9° | 180.0° |
| N7 | C8 | N10 | O11 | 36.9° | 0.1° |
| N7 | C8 | N10 | O12 | 146.2° | 180.0° |
| N9 | C8 | N10 | O11 | 138.3° | 180.0° |
| N9 | C8 | N10 | O12 | 38.6° | 0.1° |
| N9 | C8 | N7 | HN7 | 176.7° | 180.0° |
| C8 | N10 | O11 | O12 | 176.9° | 179.9° |
| N10 | C8 | N7 | HN7 | 1.7° | 0.0° |
