H0J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C6 | sing | 1.48Å | 1.46Å | |
| C4 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| C7 | C6 | doub | 1.36Å | 1.37Å | Aromatic |
| C7 | C8 | sing | 1.37Å | 1.39Å | Aromatic |
| C3 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C6 | S1 | sing | 1.76Å | 1.72Å | Aromatic |
| C8 | C9 | doub | 1.37Å | 1.37Å | Aromatic |
| C9 | S1 | sing | 1.76Å | 1.72Å | Aromatic |
| C9 | C10 | sing | 1.46Å | 1.40Å | |
| N2 | C10 | sing | 1.35Å | 1.32Å | |
| C10 | S2 | doub | 1.71Å | 1.66Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C1 | C2 | 119.0° | 118.6° |
| C1 | C5 | C4 | 119.0° | 119.0° |
| C1 | C5 | H1 | 120.5° | 120.5° |
| C5 | C1 | H4 | 120.5° | 120.7° |
| C1 | C2 | C3 | 118.5° | 119.4° |
| C2 | C1 | H4 | 120.5° | 120.7° |
| C1 | C2 | H5 | 120.7° | 120.3° |
| C5 | C4 | C6 | 121.6° | 119.7° |
| C5 | C4 | N1 | 122.5° | 120.5° |
| C4 | C5 | H1 | 120.5° | 120.4° |
| C2 | C3 | N1 | 123.9° | 121.0° |
| C3 | C2 | H5 | 120.7° | 120.3° |
| C2 | C3 | H6 | 118.1° | 119.5° |
| C6 | C4 | N1 | 115.9° | 119.8° |
| C4 | C6 | C7 | 128.9° | 125.1° |
| C4 | C6 | S1 | 119.5° | 125.2° |
| C4 | N1 | C3 | 117.1° | 121.6° |
| C6 | C7 | C8 | 112.7° | 114.7° |
| C7 | C6 | S1 | 111.6° | 109.8° |
| C6 | C7 | H2 | 123.6° | 122.7° |
| C7 | C8 | C9 | 112.8° | 114.7° |
| C8 | C7 | H2 | 123.7° | 122.6° |
| C7 | C8 | H3 | 123.6° | 122.7° |
| N1 | C3 | H6 | 118.0° | 119.5° |
| C6 | S1 | C9 | 91.0° | 91.1° |
| C8 | C9 | S1 | 111.6° | 109.6° |
| C8 | C9 | C10 | 126.5° | 125.2° |
| C9 | C8 | H3 | 123.6° | 122.6° |
| S1 | C9 | C10 | 121.9° | 125.2° |
| C9 | C10 | N2 | 118.0° | 120.0° |
| C9 | C10 | S2 | 119.0° | 120.0° |
| N2 | C10 | S2 | 123.1° | 120.0° |
| C10 | N2 | H7 | 120.0° | 120.0° |
| C10 | N2 | H8 | 120.0° | 120.0° |
| H7 | N2 | H8 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C1 | C2 | H4 | 180.0° | 179.9° |
| C1 | C5 | C4 | H1 | 180.0° | 180.0° |
| C5 | C1 | C2 | C3 | 0.6° | 0.0° |
| C1 | C5 | C4 | C6 | 179.5° | 180.0° |
| C1 | C5 | C4 | N1 | 0.3° | 0.0° |
| C5 | C1 | C2 | H5 | 179.4° | 180.0° |
| C2 | C1 | C5 | C4 | 0.4° | 0.0° |
| C1 | C2 | C3 | H5 | 180.0° | 180.0° |
| C1 | C2 | C3 | N1 | 0.8° | 0.0° |
| C2 | C1 | C5 | H1 | 179.6° | 180.0° |
| C1 | C2 | C3 | H6 | 179.2° | 180.0° |
| C5 | C4 | C6 | N1 | 179.3° | 180.0° |
| C5 | C4 | C6 | C7 | 3.3° | 179.8° |
| C5 | C4 | N1 | C3 | 0.4° | 0.1° |
| C5 | C4 | C6 | S1 | 178.7° | 0.0° |
| C4 | C5 | C1 | H4 | 179.6° | 179.9° |
| C2 | C3 | N1 | C4 | 0.6° | 0.1° |
| C2 | C3 | N1 | H6 | 180.0° | 180.0° |
| C3 | C2 | C1 | H4 | 179.4° | 179.9° |
| C4 | C6 | C7 | S1 | 178.1° | 179.8° |
| C4 | C6 | C7 | C8 | 178.6° | 180.0° |
| C6 | C4 | N1 | C3 | 179.7° | 179.9° |
| C4 | C6 | S1 | C9 | 176.4° | 179.9° |
| C6 | C4 | C5 | H1 | 0.5° | 0.0° |
| C4 | C6 | C7 | H2 | 1.4° | 0.0° |
| N1 | C4 | C6 | C7 | 176.0° | 0.2° |
| N1 | C4 | C6 | S1 | 2.0° | 180.0° |
| N1 | C4 | C5 | H1 | 179.8° | 180.0° |
| C4 | N1 | C3 | H6 | 179.4° | 180.0° |
| C6 | C7 | C8 | H2 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 3.4° | 0.0° |
| C7 | C6 | S1 | C9 | 1.9° | 0.3° |
| C6 | C7 | C8 | H3 | 176.6° | 180.0° |
| C8 | C7 | C6 | S1 | 0.5° | 0.2° |
| C7 | C8 | C9 | H3 | 180.0° | 180.0° |
| C7 | C8 | C9 | S1 | 4.8° | 0.3° |
| C7 | C8 | C9 | C10 | 174.8° | 180.0° |
| N1 | C3 | C2 | H5 | 179.2° | 180.0° |
| C6 | S1 | C9 | C8 | 3.8° | 0.3° |
| C6 | S1 | C9 | C10 | 175.8° | 180.0° |
| S1 | C6 | C7 | H2 | 179.5° | 179.8° |
| C8 | C9 | S1 | C10 | 179.6° | 179.7° |
| C8 | C9 | C10 | N2 | 5.4° | 145.0° |
| C8 | C9 | C10 | S2 | 174.2° | 35.0° |
| C9 | C8 | C7 | H2 | 176.6° | 180.0° |
| S1 | C9 | C10 | N2 | 175.0° | 35.3° |
| S1 | C9 | C10 | S2 | 5.4° | 144.7° |
| S1 | C9 | C8 | H3 | 175.3° | 179.8° |
| C9 | C10 | N2 | S2 | 179.6° | 180.0° |
| C10 | C9 | C8 | H3 | 5.1° | 0.1° |
| C9 | C10 | N2 | H7 | 179.6° | 179.9° |
| C9 | C10 | N2 | H8 | 0.4° | 0.0° |
| C10 | N2 | H7 | H8 | 180.0° | 179.9° |
| S2 | C10 | N2 | H7 | 0.0° | 0.0° |
| S2 | C10 | N2 | H8 | 180.0° | 180.0° |
| H1 | C5 | C1 | H4 | 0.4° | 0.1° |
| H2 | C7 | C8 | H3 | 3.4° | 0.0° |
| H4 | C1 | C2 | H5 | 0.6° | 0.1° |
| H5 | C2 | C3 | H6 | 0.8° | 0.0° |
