8TX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.35Å | 1.36Å | |
| N1 | C6 | sing | 1.35Å | 1.39Å | |
| C2 | O2 | doub | 1.22Å | 1.17Å | |
| C2 | N3 | sing | 1.35Å | 1.40Å | |
| N3 | C4 | sing | 1.38Å | 1.32Å | |
| C4 | C5 | doub | 1.37Å | 1.39Å | |
| C4 | N9 | sing | 1.37Å | 1.37Å | |
| C5 | C6 | sing | 1.41Å | 1.43Å | |
| C5 | N7 | sing | 1.40Å | 1.32Å | |
| C6 | O6 | doub | 1.22Å | 1.22Å | |
| N7 | C8 | sing | 1.35Å | 1.38Å | |
| C8 | S8 | doub | 1.71Å | 1.60Å | |
| C8 | N9 | sing | 1.35Å | 1.37Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 127.5° | 120.6° |
| N1 | C2 | O2 | 125.5° | 119.4° |
| N1 | C2 | N3 | 118.6° | 121.3° |
| C2 | N1 | HN1 | 116.2° | 119.7° |
| N1 | C6 | C5 | 111.7° | 119.3° |
| N1 | C6 | O6 | 121.9° | 120.4° |
| C6 | N1 | HN1 | 116.3° | 119.7° |
| O2 | C2 | N3 | 115.9° | 119.3° |
| C2 | N3 | C4 | 116.2° | 120.3° |
| C2 | N3 | HN3 | 121.9° | 119.9° |
| N3 | C4 | C5 | 126.1° | 119.3° |
| N3 | C4 | N9 | 128.0° | 133.2° |
| C4 | N3 | HN3 | 121.9° | 119.9° |
| C5 | C4 | N9 | 105.9° | 107.5° |
| C4 | C5 | C6 | 119.7° | 119.3° |
| C4 | C5 | N7 | 112.0° | 107.2° |
| C4 | N9 | C8 | 106.5° | 108.8° |
| C4 | N9 | HN9 | 126.8° | 125.6° |
| C6 | C5 | N7 | 128.3° | 133.5° |
| C5 | C6 | O6 | 126.3° | 120.4° |
| C5 | N7 | C8 | 104.7° | 107.6° |
| C5 | N7 | HN7 | 127.7° | 126.3° |
| N7 | C8 | S8 | 126.4° | 125.5° |
| N7 | C8 | N9 | 110.9° | 109.0° |
| C8 | N7 | HN7 | 127.6° | 126.2° |
| S8 | C8 | N9 | 122.8° | 125.5° |
| C8 | N9 | HN9 | 126.7° | 125.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | HN1 | 180.0° | 179.8° |
| N1 | C2 | O2 | N3 | 178.6° | 180.0° |
| N1 | C2 | N3 | C4 | 2.8° | 0.1° |
| C2 | N1 | C6 | C5 | 4.6° | 0.0° |
| C2 | N1 | C6 | O6 | 177.2° | 180.0° |
| N1 | C2 | N3 | HN3 | 177.2° | 180.0° |
| C6 | N1 | C2 | O2 | 175.6° | 179.9° |
| C6 | N1 | C2 | N3 | 5.8° | 0.0° |
| N1 | C6 | C5 | C4 | 0.7° | 0.0° |
| N1 | C6 | C5 | O6 | 178.1° | 180.0° |
| N1 | C6 | C5 | N7 | 179.7° | 180.0° |
| O2 | C2 | N3 | C4 | 178.6° | 179.9° |
| O2 | C2 | N1 | HN1 | 4.4° | 0.3° |
| O2 | C2 | N3 | HN3 | 1.4° | 0.0° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.9° |
| C2 | N3 | C4 | C5 | 0.8° | 0.1° |
| C2 | N3 | C4 | N9 | 177.8° | 180.0° |
| N3 | C2 | N1 | HN1 | 174.2° | 179.7° |
| N3 | C4 | C5 | N9 | 177.6° | 179.9° |
| N3 | C4 | C5 | C6 | 1.8° | 0.0° |
| N3 | C4 | C5 | N7 | 177.9° | 180.0° |
| N3 | C4 | N9 | C8 | 178.4° | 180.0° |
| N3 | C4 | N9 | HN9 | 1.6° | 0.1° |
| C4 | C5 | C6 | N7 | 179.6° | 180.0° |
| C4 | C5 | C6 | O6 | 178.8° | 180.0° |
| C4 | C5 | N7 | C8 | 0.5° | 0.0° |
| C5 | C4 | N9 | C8 | 0.9° | 0.1° |
| C5 | C4 | N3 | HN3 | 179.2° | 180.0° |
| C4 | C5 | N7 | HN7 | 179.5° | 180.0° |
| C5 | C4 | N9 | HN9 | 179.1° | 180.0° |
| N9 | C4 | C5 | C6 | 179.4° | 180.0° |
| N9 | C4 | C5 | N7 | 0.3° | 0.0° |
| C4 | N9 | C8 | N7 | 1.2° | 0.1° |
| C4 | N9 | C8 | S8 | 177.5° | 180.0° |
| C4 | N9 | C8 | HN9 | 180.0° | 179.9° |
| N9 | C4 | N3 | HN3 | 2.2° | 0.1° |
| C6 | C5 | N7 | C8 | 179.9° | 180.0° |
| C5 | C6 | N1 | HN1 | 175.4° | 179.8° |
| C6 | C5 | N7 | HN7 | 0.1° | 0.0° |
| N7 | C5 | C6 | O6 | 1.6° | 0.0° |
| C5 | N7 | C8 | HN7 | 180.0° | 180.0° |
| C5 | N7 | C8 | S8 | 177.7° | 180.0° |
| C5 | N7 | C8 | N9 | 1.0° | 0.0° |
| O6 | C6 | N1 | HN1 | 2.8° | 0.2° |
| N7 | C8 | S8 | N9 | 178.6° | 179.9° |
| N7 | C8 | N9 | HN9 | 178.8° | 180.0° |
| S8 | C8 | N7 | HN7 | 2.3° | 0.0° |
| S8 | C8 | N9 | HN9 | 2.4° | 0.1° |
| N9 | C8 | N7 | HN7 | 178.9° | 180.0° |
