EYV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | doub | 1.36Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.41Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| N | C3 | sing | 1.35Å | 1.39Å | Aromatic |
| N | C2 | doub | 1.28Å | 1.29Å | Aromatic |
| C3 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| O | C | doub | 1.21Å | 1.30Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | S | sing | 1.71Å | 1.75Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C8 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | S | sing | 1.76Å | 1.73Å | Aromatic |
| C | O1 | sing | 1.34Å | 1.23Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| O1 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 119.3° | 120.4° |
| C4 | C5 | C6 | 120.7° | 120.8° |
| C5 | C4 | H3 | 120.3° | 119.7° |
| C4 | C5 | H4 | 119.7° | 119.7° |
| C4 | C3 | N | 125.5° | 129.7° |
| C4 | C3 | C8 | 119.3° | 118.5° |
| C3 | C4 | H3 | 120.3° | 119.8° |
| C5 | C6 | C7 | 120.6° | 120.1° |
| C6 | C5 | H4 | 119.7° | 119.6° |
| C5 | C6 | H5 | 119.7° | 120.0° |
| C3 | N | C2 | 110.5° | 117.8° |
| N | C3 | C8 | 115.0° | 111.8° |
| N | C2 | C1 | 122.8° | 124.2° |
| N | C2 | S | 116.2° | 111.6° |
| C3 | C8 | C7 | 121.2° | 120.2° |
| C3 | C8 | S | 109.5° | 108.0° |
| O | C | C1 | 114.4° | 120.1° |
| O | C | O1 | 123.6° | 120.0° |
| C6 | C7 | C8 | 118.8° | 120.0° |
| C7 | C6 | H5 | 119.7° | 120.0° |
| C6 | C7 | H6 | 120.6° | 120.1° |
| C1 | C2 | S | 121.0° | 124.2° |
| C2 | C1 | C | 113.3° | 109.4° |
| C2 | C1 | H1 | 108.5° | 109.5° |
| C2 | C1 | H2 | 108.5° | 109.5° |
| C2 | S | C8 | 88.8° | 90.8° |
| C1 | C | O1 | 122.0° | 120.0° |
| C | C1 | H1 | 108.5° | 109.5° |
| C | C1 | H2 | 108.5° | 109.5° |
| C7 | C8 | S | 129.1° | 131.7° |
| C8 | C7 | H6 | 120.6° | 119.9° |
| C | O1 | H7 | 109.5° | 117.0° |
| H1 | C1 | H2 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | H3 | 180.0° | 179.9° |
| C4 | C5 | C6 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | N | 174.9° | 180.0° |
| C5 | C4 | C3 | C8 | 0.7° | 0.1° |
| C4 | C5 | C6 | C7 | 1.9° | 0.0° |
| C4 | C5 | C6 | H5 | 178.2° | 180.0° |
| C3 | C4 | C5 | C6 | 1.8° | 0.0° |
| C4 | C3 | N | C8 | 175.7° | 179.9° |
| C4 | C3 | N | C2 | 174.9° | 179.8° |
| C4 | C3 | C8 | C7 | 0.3° | 0.1° |
| C4 | C3 | C8 | S | 175.4° | 180.0° |
| C3 | C4 | C5 | H4 | 178.2° | 180.0° |
| C5 | C6 | C7 | H5 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.8° | 0.0° |
| C6 | C5 | C4 | H3 | 178.2° | 180.0° |
| C5 | C6 | C7 | H6 | 179.2° | 180.0° |
| C3 | N | C2 | C1 | 178.1° | 180.0° |
| C3 | N | C2 | S | 0.7° | 0.2° |
| N | C3 | C8 | C7 | 176.4° | 180.0° |
| N | C3 | C8 | S | 0.6° | 0.1° |
| N | C3 | C4 | H3 | 5.1° | 0.1° |
| C2 | N | C3 | C8 | 0.8° | 0.1° |
| N | C2 | C1 | S | 178.8° | 179.7° |
| N | C2 | C1 | C | 57.5° | 89.7° |
| N | C2 | S | C8 | 0.3° | 0.2° |
| N | C2 | C1 | H1 | 178.1° | 150.3° |
| N | C2 | C1 | H2 | 63.1° | 30.3° |
| C3 | C8 | C7 | C6 | 0.3° | 0.0° |
| C3 | C8 | S | C2 | 0.2° | 0.2° |
| C3 | C8 | C7 | S | 174.8° | 179.9° |
| C8 | C3 | C4 | H3 | 179.3° | 180.0° |
| C3 | C8 | C7 | H6 | 179.7° | 179.9° |
| O | C | C1 | C2 | 125.1° | 0.0° |
| O | C | C1 | O1 | 179.5° | 180.0° |
| O | C | C1 | H1 | 114.3° | 120.0° |
| O | C | C1 | H2 | 4.6° | 120.0° |
| O | C | O1 | H7 | 0.0° | 0.0° |
| C6 | C7 | C8 | H6 | 180.0° | 180.0° |
| C6 | C7 | C8 | S | 174.5° | 180.0° |
| C7 | C6 | C5 | H4 | 178.1° | 180.0° |
| C2 | C1 | C | H1 | 120.6° | 120.0° |
| C2 | C1 | C | H2 | 120.6° | 120.0° |
| C1 | C2 | S | C8 | 178.6° | 180.0° |
| C2 | C1 | C | O1 | 54.4° | 180.0° |
| C2 | C1 | H1 | H2 | 118.2° | 120.0° |
| S | C2 | C1 | C | 121.3° | 90.0° |
| C2 | S | C8 | C7 | 175.5° | 179.9° |
| S | C2 | C1 | H1 | 0.7° | 30.0° |
| S | C2 | C1 | H2 | 118.1° | 149.9° |
| C | C1 | H1 | H2 | 118.3° | 120.0° |
| C1 | C | O1 | H7 | 179.5° | 180.0° |
| C8 | C7 | C6 | H5 | 179.2° | 180.0° |
| S | C8 | C7 | H6 | 5.5° | 0.0° |
| O1 | C | C1 | H1 | 66.2° | 60.0° |
| O1 | C | C1 | H2 | 174.9° | 60.0° |
| H3 | C4 | C5 | H4 | 1.8° | 0.1° |
| H4 | C5 | C6 | H5 | 1.9° | 0.0° |
| H5 | C6 | C7 | H6 | 0.7° | 0.0° |
