4SV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C6 | doub | 1.21Å | 1.22Å | |
| C6 | O1 | sing | 1.35Å | 1.33Å | |
| C6 | C5 | sing | 1.48Å | 1.50Å | |
| C5 | C1 | sing | 1.41Å | 1.42Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | N1 | sing | 1.39Å | 1.37Å | |
| C1 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| N1 | H11N | sing | 0.97Å | 1.00Å | |
| N1 | H12N | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C6 | O1 | 124.0° | 120.0° |
| O2 | C6 | C5 | 119.8° | 120.0° |
| O1 | C6 | C5 | 116.2° | 120.0° |
| C6 | O1 | H1 | 109.5° | 117.0° |
| C6 | C5 | C1 | 122.4° | 121.0° |
| C6 | C5 | C4 | 119.7° | 121.0° |
| C1 | C5 | C4 | 118.0° | 118.1° |
| C5 | C1 | N1 | 121.8° | 120.6° |
| C5 | C1 | C2 | 117.5° | 118.8° |
| C5 | C4 | C3 | 119.1° | 119.1° |
| C5 | C4 | H4 | 120.5° | 120.5° |
| N1 | C1 | C2 | 120.7° | 120.6° |
| C1 | N1 | H11N | 109.5° | 120.0° |
| C1 | N1 | H12N | 109.5° | 120.0° |
| C1 | C2 | N2 | 125.3° | 120.8° |
| C1 | C2 | H2 | 117.3° | 119.6° |
| C4 | C3 | N2 | 123.6° | 121.2° |
| C3 | C4 | H4 | 120.4° | 120.5° |
| C4 | C3 | H3 | 118.2° | 119.4° |
| C3 | N2 | C2 | 116.5° | 122.2° |
| N2 | C3 | H3 | 118.2° | 119.4° |
| N2 | C2 | H2 | 117.4° | 119.6° |
| H11N | N1 | H12N | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C6 | O1 | C5 | 179.2° | 179.8° |
| O2 | C6 | C5 | C1 | 161.6° | 5.5° |
| O2 | C6 | C5 | C4 | 18.5° | 174.2° |
| O2 | C6 | O1 | H1 | 0.0° | 0.1° |
| O1 | C6 | C5 | C1 | 19.1° | 174.3° |
| O1 | C6 | C5 | C4 | 160.7° | 5.9° |
| C6 | C5 | C1 | C4 | 179.8° | 179.7° |
| C6 | C5 | C1 | N1 | 0.2° | 0.0° |
| C6 | C5 | C1 | C2 | 179.8° | 180.0° |
| C6 | C5 | C4 | C3 | 179.6° | 180.0° |
| C5 | C6 | O1 | H1 | 179.3° | 179.7° |
| C6 | C5 | C4 | H4 | 0.4° | 0.0° |
| C5 | C1 | N1 | C2 | 180.0° | 180.0° |
| C1 | C5 | C4 | C3 | 0.2° | 0.2° |
| C5 | C1 | C2 | N2 | 0.2° | 0.1° |
| C1 | C5 | C4 | H4 | 179.8° | 179.7° |
| C5 | C1 | N1 | H11N | 180.0° | 5.5° |
| C5 | C1 | N1 | H12N | 60.0° | 174.5° |
| C5 | C1 | C2 | H2 | 179.8° | 180.0° |
| C4 | C5 | C1 | N1 | 180.0° | 179.7° |
| C4 | C5 | C1 | C2 | 0.0° | 0.3° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | N2 | 0.2° | 0.0° |
| C5 | C4 | C3 | H3 | 179.8° | 180.0° |
| N1 | C1 | C2 | N2 | 179.8° | 179.9° |
| C1 | N1 | H11N | H12N | 120.0° | 179.9° |
| N1 | C1 | C2 | H2 | 0.2° | 0.1° |
| C1 | C2 | N2 | C3 | 0.2° | 0.2° |
| C1 | C2 | N2 | H2 | 180.0° | 179.9° |
| C2 | C1 | N1 | H11N | 0.0° | 174.5° |
| C2 | C1 | N1 | H12N | 120.0° | 5.5° |
| C4 | C3 | N2 | H3 | 180.0° | 180.0° |
| C4 | C3 | N2 | C2 | 0.0° | 0.2° |
| N2 | C3 | C4 | H4 | 179.8° | 180.0° |
| C3 | N2 | C2 | H2 | 179.8° | 179.7° |
| C2 | N2 | C3 | H3 | 180.0° | 179.7° |
| H4 | C4 | C3 | H3 | 0.2° | 0.0° |
