7HP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C4 | sing | 1.41Å | 1.37Å | Aromatic |
| C9 | N8 | doub | 1.30Å | 1.32Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C4 | N3 | sing | 1.34Å | 1.36Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.40Å | Aromatic |
| N3 | C2 | doub | 1.31Å | 1.34Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.38Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N1 | C6 | doub | 1.33Å | 1.43Å | Aromatic |
| C6 | O6 | sing | 1.36Å | 1.26Å | |
| C6 | C5 | sing | 1.40Å | 1.44Å | Aromatic |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C5 | N7 | sing | 1.37Å | 1.40Å | Aromatic |
| N7 | N8 | sing | 1.40Å | 1.29Å | Aromatic |
| N7 | HN7 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C9 | N8 | 106.9° | 108.7° |
| C4 | C9 | H9 | 128.1° | 125.6° |
| C9 | C4 | N3 | 126.4° | 134.4° |
| C9 | C4 | C5 | 104.7° | 106.9° |
| N8 | C9 | H9 | 125.0° | 125.6° |
| C9 | N8 | N7 | 115.5° | 109.7° |
| N3 | C4 | C5 | 128.9° | 118.8° |
| C4 | N3 | C2 | 111.5° | 120.5° |
| C4 | C5 | C6 | 120.5° | 118.4° |
| C4 | C5 | N7 | 109.0° | 106.7° |
| N3 | C2 | N1 | 123.2° | 122.5° |
| N3 | C2 | H2 | 117.1° | 118.7° |
| N1 | C2 | H2 | 119.7° | 118.7° |
| C2 | N1 | C6 | 127.6° | 121.2° |
| N1 | C6 | O6 | 124.3° | 120.7° |
| N1 | C6 | C5 | 108.3° | 118.6° |
| O6 | C6 | C5 | 127.4° | 120.7° |
| C6 | O6 | HO6 | 124.3° | 106.8° |
| C6 | C5 | N7 | 130.4° | 134.9° |
| C5 | N7 | N8 | 103.8° | 108.0° |
| C5 | N7 | HN7 | 131.1° | 126.0° |
| N8 | N7 | HN7 | 125.1° | 126.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C9 | N8 | H9 | 180.0° | 179.9° |
| C9 | C4 | N3 | C5 | 179.1° | 179.7° |
| C9 | C4 | N3 | C2 | 179.7° | 180.0° |
| C9 | C4 | C5 | C6 | 179.8° | 179.7° |
| C9 | C4 | C5 | N7 | 1.0° | 0.4° |
| C4 | C9 | N8 | N7 | 0.4° | 0.0° |
| N8 | C9 | C4 | N3 | 178.5° | 180.0° |
| N8 | C9 | C4 | C5 | 0.8° | 0.2° |
| C9 | N8 | N7 | C5 | 0.2° | 0.2° |
| C9 | N8 | N7 | HN7 | 179.8° | 180.0° |
| H9 | C9 | C4 | N3 | 1.5° | 0.1° |
| H9 | C9 | C4 | C5 | 179.2° | 179.8° |
| H9 | C9 | N8 | N7 | 179.6° | 179.9° |
| C4 | N3 | C2 | N1 | 0.5° | 0.1° |
| C4 | N3 | C2 | H2 | 179.6° | 180.0° |
| N3 | C4 | C5 | C6 | 0.6° | 0.5° |
| N3 | C4 | C5 | N7 | 178.3° | 179.8° |
| C5 | C4 | N3 | C2 | 1.2° | 0.2° |
| C4 | C5 | C6 | N1 | 0.7° | 0.5° |
| C4 | C5 | C6 | O6 | 176.1° | 179.8° |
| C4 | C5 | C6 | N7 | 178.6° | 179.1° |
| C4 | C5 | N7 | N8 | 0.8° | 0.4° |
| C4 | C5 | N7 | HN7 | 179.3° | 179.9° |
| N3 | C2 | N1 | H2 | 180.0° | 179.9° |
| N3 | C2 | N1 | C6 | 1.0° | 0.1° |
| C2 | N1 | C6 | O6 | 175.5° | 179.9° |
| C2 | N1 | C6 | C5 | 1.5° | 0.2° |
| H2 | C2 | N1 | C6 | 179.0° | 180.0° |
| N1 | C6 | O6 | C5 | 176.4° | 179.7° |
| N1 | C6 | O6 | HO6 | 180.0° | 89.9° |
| N1 | C6 | C5 | N7 | 179.3° | 179.6° |
| O6 | C6 | C5 | N7 | 2.5° | 0.7° |
| C5 | C6 | O6 | HO6 | 3.6° | 90.4° |
| C6 | C5 | N7 | N8 | 179.5° | 179.5° |
| C6 | C5 | N7 | HN7 | 0.6° | 0.7° |
| C5 | N7 | N8 | HN7 | 180.0° | 179.8° |
