5H1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | O10 | sing | 1.36Å | 1.36Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å | |
| C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | C8 | sing | 1.38Å | 1.36Å | Aromatic |
| C8 | C9 | sing | 1.41Å | 1.39Å | Aromatic |
| N1 | C2 | sing | 1.37Å | 1.37Å | Aromatic |
| C9 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | C9 | sing | 1.46Å | 1.43Å | Aromatic |
| C2 | C3 | doub | 1.34Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | O10 | HO10 | 109.5° | 114.0° |
| O10 | C5 | C6 | 119.4° | 119.9° |
| O10 | C5 | C4 | 119.8° | 119.9° |
| C6 | C5 | C4 | 120.8° | 120.3° |
| C5 | C6 | C7 | 119.5° | 120.6° |
| C5 | C6 | H6 | 120.3° | 119.7° |
| C5 | C4 | C9 | 119.1° | 119.6° |
| C5 | C4 | H4 | 120.5° | 120.1° |
| C7 | C6 | H6 | 120.3° | 119.7° |
| C6 | C7 | C8 | 119.6° | 120.0° |
| C6 | C7 | H7 | 120.2° | 120.0° |
| C8 | C7 | H7 | 120.2° | 120.0° |
| C7 | C8 | N1 | 134.3° | 133.4° |
| C7 | C8 | C9 | 120.8° | 119.5° |
| N1 | C8 | C9 | 104.9° | 107.1° |
| C8 | N1 | C2 | 110.6° | 109.9° |
| C8 | N1 | HN1 | 124.7° | 125.0° |
| C8 | C9 | C4 | 120.2° | 120.0° |
| C8 | C9 | C3 | 111.5° | 106.1° |
| N1 | C2 | C3 | 110.3° | 109.9° |
| N1 | C2 | H2 | 124.9° | 125.1° |
| C2 | N1 | HN1 | 124.7° | 125.1° |
| C9 | C4 | H4 | 120.5° | 120.3° |
| C4 | C9 | C3 | 128.3° | 133.9° |
| C9 | C3 | C2 | 102.7° | 107.0° |
| C9 | C3 | H3 | 128.6° | 126.5° |
| C2 | C3 | H3 | 128.7° | 126.5° |
| C3 | C2 | H2 | 124.8° | 125.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C5 | C6 | C4 | 179.7° | 179.7° |
| O10 | C5 | C6 | C7 | 179.6° | 180.0° |
| O10 | C5 | C6 | H6 | 0.4° | 0.1° |
| O10 | C5 | C4 | C9 | 179.8° | 179.8° |
| O10 | C5 | C4 | H4 | 0.2° | 0.1° |
| HO10 | O10 | C5 | C6 | 61.0° | 90.0° |
| HO10 | O10 | C5 | C4 | 119.3° | 90.3° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.7° | 0.0° |
| C5 | C6 | C7 | H7 | 179.3° | 179.9° |
| C6 | C5 | C4 | C9 | 0.1° | 0.6° |
| C6 | C5 | C4 | H4 | 179.9° | 179.7° |
| C4 | C5 | C6 | C7 | 0.1° | 0.3° |
| C4 | C5 | C6 | H6 | 179.9° | 179.7° |
| C5 | C4 | C9 | C8 | 0.3° | 0.5° |
| C5 | C4 | C9 | H4 | 180.0° | 179.7° |
| C5 | C4 | C9 | C3 | 179.5° | 179.8° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | N1 | 179.7° | 180.0° |
| C6 | C7 | C8 | C9 | 1.2° | 0.1° |
| H6 | C6 | C7 | C8 | 179.3° | 179.9° |
| H6 | C6 | C7 | H7 | 0.7° | 0.0° |
| C7 | C8 | N1 | C9 | 179.2° | 179.9° |
| C7 | C8 | N1 | C2 | 179.4° | 179.9° |
| C7 | C8 | C9 | C4 | 1.0° | 0.1° |
| C7 | C8 | C9 | C3 | 179.8° | 180.0° |
| C7 | C8 | N1 | HN1 | 0.7° | 0.0° |
| H7 | C7 | C8 | N1 | 0.3° | 0.1° |
| H7 | C7 | C8 | C9 | 178.8° | 180.0° |
| C8 | N1 | C2 | HN1 | 180.0° | 180.0° |
| N1 | C8 | C9 | C4 | 179.7° | 179.8° |
| N1 | C8 | C9 | C3 | 0.4° | 0.0° |
| C8 | N1 | C2 | C3 | 0.2° | 0.0° |
| C8 | N1 | C2 | H2 | 179.8° | 180.0° |
| C9 | C8 | N1 | C2 | 0.1° | 0.0° |
| C8 | C9 | C4 | C3 | 179.1° | 179.8° |
| C8 | C9 | C4 | H4 | 179.7° | 179.8° |
| C8 | C9 | C3 | C2 | 0.5° | 0.0° |
| C8 | C9 | C3 | H3 | 179.5° | 180.0° |
| C9 | C8 | N1 | HN1 | 179.9° | 179.9° |
| N1 | C2 | C3 | C9 | 0.4° | 0.0° |
| N1 | C2 | C3 | H2 | 180.0° | 180.0° |
| N1 | C2 | C3 | H3 | 179.6° | 179.9° |
| C4 | C9 | C3 | C2 | 179.7° | 179.7° |
| C4 | C9 | C3 | H3 | 0.3° | 0.2° |
| H4 | C4 | C9 | C3 | 0.6° | 0.1° |
| C9 | C3 | C2 | H3 | 180.0° | 179.9° |
| C9 | C3 | C2 | H2 | 179.6° | 180.0° |
| C3 | C2 | N1 | HN1 | 179.8° | 180.0° |
| H3 | C3 | C2 | H2 | 0.3° | 0.0° |
| H2 | C2 | N1 | HN1 | 0.2° | 0.0° |
