0FI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S2 | C4 | doub | 1.60Å | 1.67Å | |
| N2 | C4 | sing | 1.35Å | 1.45Å | |
| N2 | C5 | sing | 1.40Å | 1.45Å | |
| C6 | C5 | doub | 1.39Å | 1.42Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S2 | C4 | N2 | 118.2° | 120.0° |
| S2 | C4 | H2 | 120.9° | 120.0° |
| C4 | N2 | C5 | 125.8° | 120.0° |
| N2 | C4 | H2 | 120.9° | 120.0° |
| C4 | N2 | H8 | 117.1° | 120.0° |
| N2 | C5 | C6 | 116.3° | 120.1° |
| N2 | C5 | C10 | 123.8° | 120.1° |
| C5 | N2 | H8 | 117.1° | 120.0° |
| C5 | C6 | C7 | 121.0° | 120.0° |
| C6 | C5 | C10 | 119.8° | 119.8° |
| C5 | C6 | H3 | 119.5° | 120.0° |
| C6 | C7 | C8 | 118.4° | 120.1° |
| C7 | C6 | H3 | 119.5° | 120.1° |
| C6 | C7 | H4 | 120.8° | 120.0° |
| C5 | C10 | C9 | 119.4° | 119.9° |
| C5 | C10 | H7 | 120.3° | 120.0° |
| C7 | C8 | C9 | 121.6° | 120.1° |
| C8 | C7 | H4 | 120.8° | 119.9° |
| C7 | C8 | H5 | 119.2° | 120.0° |
| C10 | C9 | C8 | 119.8° | 120.1° |
| C10 | C9 | H6 | 120.1° | 120.0° |
| C9 | C10 | H7 | 120.3° | 120.0° |
| C9 | C8 | H5 | 119.2° | 119.9° |
| C8 | C9 | H6 | 120.1° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S2 | C4 | N2 | H2 | 180.0° | 179.9° |
| S2 | C4 | N2 | C5 | 179.5° | 4.3° |
| S2 | C4 | N2 | H8 | 0.5° | 175.4° |
| C4 | N2 | C5 | H8 | 180.0° | 179.7° |
| C4 | N2 | C5 | C6 | 142.2° | 45.8° |
| C4 | N2 | C5 | C10 | 39.2° | 134.4° |
| N2 | C5 | C6 | C10 | 178.7° | 179.8° |
| N2 | C5 | C6 | C7 | 178.4° | 180.0° |
| N2 | C5 | C10 | C9 | 178.8° | 179.7° |
| C5 | N2 | C4 | H2 | 0.5° | 175.8° |
| N2 | C5 | C6 | H3 | 1.6° | 0.0° |
| N2 | C5 | C10 | H7 | 1.2° | 0.0° |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.6° | 0.0° |
| C6 | C5 | C10 | C9 | 0.2° | 0.5° |
| C5 | C6 | C7 | H4 | 179.4° | 180.0° |
| C6 | C5 | C10 | H7 | 179.8° | 179.8° |
| C6 | C5 | N2 | H8 | 37.8° | 133.9° |
| C7 | C6 | C5 | C10 | 0.3° | 0.2° |
| C6 | C7 | C8 | H4 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.4° | 0.0° |
| C6 | C7 | C8 | H5 | 179.5° | 180.0° |
| C5 | C10 | C9 | H7 | 180.0° | 179.8° |
| C5 | C10 | C9 | C8 | 0.4° | 0.5° |
| C10 | C5 | C6 | H3 | 179.7° | 179.8° |
| C5 | C10 | C9 | H6 | 179.6° | 179.7° |
| C10 | C5 | N2 | H8 | 140.8° | 45.9° |
| C7 | C8 | C9 | C10 | 0.1° | 0.3° |
| C7 | C8 | C9 | H5 | 180.0° | 180.0° |
| C8 | C7 | C6 | H3 | 179.4° | 180.0° |
| C7 | C8 | C9 | H6 | 179.9° | 180.0° |
| C10 | C9 | C8 | H6 | 180.0° | 179.7° |
| C10 | C9 | C8 | H5 | 180.0° | 179.7° |
| C9 | C8 | C7 | H4 | 179.6° | 179.9° |
| C8 | C9 | C10 | H7 | 179.6° | 179.7° |
| H2 | C4 | N2 | H8 | 179.5° | 4.5° |
| H3 | C6 | C7 | H4 | 0.6° | 0.1° |
| H4 | C7 | C8 | H5 | 0.5° | 0.1° |
| H5 | C8 | C9 | H6 | 0.1° | 0.0° |
| H6 | C9 | C10 | H7 | 0.4° | 0.0° |
