SYV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C4 | sing | 1.40Å | 1.38Å | |
| C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.36Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.37Å | Aromatic |
| C6 | C1 | sing | 1.40Å | 1.37Å | Aromatic |
| C6 | O | sing | 1.36Å | 1.36Å | |
| C1 | N | sing | 1.40Å | 1.36Å | |
| O | C7 | sing | 1.34Å | 1.37Å | |
| N | C7 | sing | 1.35Å | 1.35Å | |
| N | C | sing | 1.46Å | 1.45Å | |
| C7 | O1 | doub | 1.22Å | 1.19Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C4 | C3 | 120.1° | 120.0° |
| N1 | C4 | C5 | 120.2° | 119.9° |
| C4 | N1 | H2 | 109.5° | 120.0° |
| C4 | N1 | H3 | 109.5° | 120.0° |
| C3 | C4 | C5 | 119.4° | 120.1° |
| C4 | C3 | C2 | 121.2° | 120.1° |
| C4 | C3 | H7 | 119.4° | 119.9° |
| C4 | C5 | C6 | 118.2° | 119.8° |
| C4 | C5 | H1 | 121.0° | 120.1° |
| C3 | C2 | C1 | 118.3° | 119.9° |
| C2 | C3 | H7 | 119.4° | 120.0° |
| C3 | C2 | H8 | 120.8° | 120.0° |
| C5 | C6 | C1 | 121.7° | 119.8° |
| C5 | C6 | O | 128.7° | 132.9° |
| C6 | C5 | H1 | 120.9° | 120.1° |
| C2 | C1 | C6 | 121.1° | 120.2° |
| C2 | C1 | N | 132.9° | 133.2° |
| C1 | C2 | H8 | 120.8° | 120.1° |
| C1 | C6 | O | 109.5° | 107.3° |
| C6 | C1 | N | 106.1° | 106.6° |
| C6 | O | C7 | 107.2° | 109.3° |
| C1 | N | C7 | 109.5° | 107.4° |
| C1 | N | C | 122.2° | 126.3° |
| O | C7 | N | 107.8° | 109.5° |
| O | C7 | O1 | 122.3° | 125.3° |
| C7 | N | C | 128.3° | 126.3° |
| N | C7 | O1 | 129.7° | 125.2° |
| N | C | H4 | 109.5° | 109.5° |
| N | C | H5 | 109.4° | 109.4° |
| N | C | H6 | 109.4° | 109.5° |
| H2 | N1 | H3 | 109.4° | 120.0° |
| H4 | C | H5 | 109.5° | 109.4° |
| H4 | C | H6 | 109.5° | 109.5° |
| H5 | C | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C4 | C3 | C5 | 173.7° | 179.7° |
| N1 | C4 | C3 | C2 | 170.2° | 179.7° |
| N1 | C4 | C5 | C6 | 172.7° | 179.7° |
| N1 | C4 | C5 | H1 | 7.3° | 0.2° |
| C4 | N1 | H2 | H3 | 120.0° | 180.0° |
| N1 | C4 | C3 | H7 | 9.8° | 0.3° |
| C4 | C3 | C2 | H7 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 1.0° | 0.0° |
| C4 | C3 | C2 | C1 | 2.6° | 0.0° |
| C3 | C4 | C5 | H1 | 179.0° | 180.0° |
| C3 | C4 | N1 | H2 | 180.0° | 0.0° |
| C3 | C4 | N1 | H3 | 60.0° | 180.0° |
| C4 | C3 | C2 | H8 | 177.4° | 180.0° |
| C5 | C4 | C3 | C2 | 3.6° | 0.0° |
| C4 | C5 | C6 | H1 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 2.4° | 0.0° |
| C4 | C5 | C6 | O | 177.7° | 180.0° |
| C5 | C4 | N1 | H2 | 6.3° | 179.7° |
| C5 | C4 | N1 | H3 | 126.3° | 0.2° |
| C5 | C4 | C3 | H7 | 176.4° | 179.9° |
| C3 | C2 | C1 | H8 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.8° | 0.0° |
| C3 | C2 | C1 | N | 177.6° | 180.0° |
| C5 | C6 | C1 | C2 | 3.4° | 0.0° |
| C5 | C6 | C1 | O | 176.2° | 180.0° |
| C5 | C6 | C1 | N | 175.4° | 180.0° |
| C5 | C6 | O | C7 | 174.5° | 180.0° |
| C2 | C1 | C6 | N | 178.8° | 180.0° |
| C2 | C1 | C6 | O | 179.6° | 180.0° |
| C2 | C1 | N | C7 | 178.5° | 180.0° |
| C2 | C1 | N | C | 1.8° | 0.0° |
| C1 | C2 | C3 | H7 | 177.4° | 179.9° |
| C1 | C6 | O | C7 | 1.3° | 0.0° |
| C6 | C1 | N | C7 | 0.0° | 0.0° |
| C6 | C1 | N | C | 179.7° | 180.0° |
| C1 | C6 | C5 | H1 | 177.6° | 180.0° |
| C6 | C1 | C2 | H8 | 179.2° | 180.0° |
| O | C6 | C1 | N | 0.8° | 0.0° |
| C6 | O | C7 | N | 1.3° | 0.0° |
| C6 | O | C7 | O1 | 173.5° | 180.0° |
| O | C6 | C5 | H1 | 2.3° | 0.1° |
| C1 | N | C7 | O | 0.8° | 0.0° |
| C1 | N | C7 | C | 179.7° | 180.0° |
| C1 | N | C7 | O1 | 173.4° | 179.9° |
| C1 | N | C | H4 | 180.0° | 180.0° |
| C1 | N | C | H5 | 60.0° | 60.1° |
| C1 | N | C | H6 | 60.0° | 60.0° |
| N | C1 | C2 | H8 | 2.4° | 0.0° |
| O | C7 | N | O1 | 174.3° | 180.0° |
| O | C7 | N | C | 178.8° | 180.0° |
| C7 | N | C | H4 | 0.4° | 0.0° |
| C7 | N | C | H5 | 120.4° | 120.0° |
| C7 | N | C | H6 | 119.6° | 120.0° |
| C | N | C7 | O1 | 6.9° | 0.0° |
| N | C | H4 | H5 | 120.0° | 119.9° |
| N | C | H4 | H6 | 120.0° | 120.0° |
| N | C | H5 | H6 | 120.0° | 120.0° |
| H4 | C | H5 | H6 | 120.0° | 120.0° |
| H7 | C3 | C2 | H8 | 2.6° | 0.0° |
