HS5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | S1 | doub | 1.42Å | 1.44Å | |
| S1 | O4 | doub | 1.42Å | 1.46Å | |
| S1 | N2 | sing | 1.66Å | 1.55Å | |
| S1 | C3 | sing | 1.76Å | 1.62Å | |
| N2 | C10 | sing | 1.46Å | 1.47Å | |
| N2 | C8 | sing | 1.47Å | 1.46Å | |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | O3 | doub | 1.21Å | 1.23Å | |
| C9 | N1 | sing | 1.35Å | 1.33Å | |
| N1 | O2 | doub | 1.22Å | 1.39Å | |
| C8 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | O1 | sing | 1.43Å | 1.43Å | |
| C3 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | F1 | sing | 1.35Å | 1.35Å | |
| C4 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | S1 | O4 | 126.5° | 123.2° |
| O5 | S1 | N2 | 91.8° | 106.4° |
| O5 | S1 | C3 | 103.2° | 106.4° |
| O4 | S1 | N2 | 103.1° | 106.4° |
| O4 | S1 | C3 | 110.5° | 106.4° |
| N2 | S1 | C3 | 122.1° | 107.2° |
| S1 | N2 | C10 | 120.7° | 120.0° |
| S1 | N2 | C8 | 120.8° | 120.0° |
| S1 | C3 | C5 | 119.2° | 120.0° |
| S1 | C3 | C1 | 122.5° | 120.0° |
| C10 | N2 | C8 | 118.3° | 120.1° |
| N2 | C10 | C9 | 115.7° | 109.4° |
| N2 | C10 | H10 | 107.4° | 109.4° |
| N2 | C10 | H10A | 106.0° | 109.5° |
| N2 | C8 | C6 | 135.0° | 109.5° |
| N2 | C8 | H8 | 101.7° | 109.5° |
| N2 | C8 | H8A | 95.8° | 109.5° |
| C10 | C9 | O3 | 122.7° | 120.1° |
| C10 | C9 | N1 | 116.2° | 120.0° |
| C9 | C10 | H10 | 107.5° | 109.4° |
| C9 | C10 | H10A | 106.0° | 109.5° |
| O3 | C9 | N1 | 121.1° | 120.0° |
| C9 | N1 | O2 | 117.3° | 120.0° |
| C8 | C6 | O1 | 106.6° | 109.5° |
| C6 | C8 | H8 | 101.7° | 109.5° |
| C6 | C8 | H8A | 95.9° | 109.5° |
| C8 | C6 | H6 | 110.4° | 109.5° |
| C8 | C6 | H6A | 111.1° | 109.5° |
| O1 | C6 | H6 | 110.5° | 109.4° |
| O1 | C6 | H6A | 111.1° | 109.4° |
| C6 | O1 | HO1 | 109.5° | 114.0° |
| C5 | C3 | C1 | 118.3° | 120.0° |
| C3 | C5 | C7 | 120.6° | 120.0° |
| C3 | C5 | H5 | 119.7° | 120.0° |
| C3 | C1 | C2 | 121.2° | 120.1° |
| C3 | C1 | H1 | 119.4° | 120.0° |
| C5 | C7 | C4 | 120.5° | 120.0° |
| C7 | C5 | H5 | 119.7° | 120.0° |
| C5 | C7 | H7 | 119.7° | 120.0° |
| C7 | C4 | F1 | 120.7° | 120.0° |
| C7 | C4 | C2 | 119.4° | 120.0° |
| C4 | C7 | H7 | 119.8° | 120.1° |
| F1 | C4 | C2 | 119.9° | 120.0° |
| C4 | C2 | C1 | 120.0° | 119.9° |
| C4 | C2 | H2 | 120.0° | 120.1° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | 119.4° | 120.0° |
| H10 | C10 | H10A | 114.5° | 109.5° |
| H8 | C8 | H8A | 132.6° | 109.5° |
| H6 | C6 | H6A | 107.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | S1 | O4 | N2 | 102.3° | 122.9° |
| O5 | S1 | O4 | C3 | 125.6° | 123.0° |
| O5 | S1 | N2 | C3 | 106.9° | 113.6° |
| O5 | S1 | N2 | C10 | 175.0° | 156.5° |
| O5 | S1 | N2 | C8 | 1.1° | 23.6° |
| O5 | S1 | C3 | C5 | 156.1° | 23.5° |
| O5 | S1 | C3 | C1 | 22.1° | 156.2° |
| O4 | S1 | N2 | C3 | 124.9° | 113.5° |
| O4 | S1 | N2 | C10 | 46.8° | 23.6° |
| O4 | S1 | N2 | C8 | 127.1° | 156.5° |
| O4 | S1 | C3 | C5 | 18.2° | 156.5° |
| O4 | S1 | C3 | C1 | 159.9° | 23.2° |
| S1 | N2 | C10 | C8 | 174.0° | 180.0° |
| S1 | N2 | C10 | C9 | 69.8° | 95.0° |
| S1 | N2 | C8 | C6 | 88.3° | 95.0° |
| N2 | S1 | C3 | C5 | 103.2° | 90.0° |
| N2 | S1 | C3 | C1 | 78.6° | 90.3° |
| S1 | N2 | C10 | H10 | 170.2° | 145.0° |
| S1 | N2 | C10 | H10A | 47.3° | 24.9° |
| S1 | N2 | C8 | H8 | 31.7° | 145.0° |
| S1 | N2 | C8 | H8A | 167.4° | 25.0° |
| C3 | S1 | N2 | C10 | 78.1° | 90.0° |
| C3 | S1 | N2 | C8 | 108.0° | 90.0° |
| S1 | C3 | C5 | C1 | 178.2° | 179.7° |
| S1 | C3 | C5 | C7 | 178.9° | 180.0° |
| S1 | C3 | C1 | C2 | 178.9° | 179.7° |
| S1 | C3 | C5 | H5 | 1.1° | 0.0° |
| S1 | C3 | C1 | H1 | 1.0° | 0.0° |
| N2 | C10 | C9 | H10 | 120.0° | 119.9° |
| N2 | C10 | C9 | H10A | 117.1° | 120.0° |
| N2 | C10 | C9 | O3 | 62.0° | 0.0° |
| N2 | C10 | C9 | N1 | 119.2° | 180.0° |
| C10 | N2 | C8 | C6 | 97.7° | 85.0° |
| N2 | C10 | H10 | H10A | 117.4° | 120.1° |
| C10 | N2 | C8 | H8 | 142.3° | 35.0° |
| C10 | N2 | C8 | H8A | 6.6° | 155.0° |
| C8 | N2 | C10 | C9 | 116.1° | 85.0° |
| N2 | C8 | C6 | H8 | 120.0° | 120.0° |
| N2 | C8 | C6 | H8A | 104.3° | 120.0° |
| N2 | C8 | C6 | O1 | 119.1° | 65.0° |
| C8 | N2 | C10 | H10 | 3.9° | 34.9° |
| C8 | N2 | C10 | H10A | 126.7° | 155.0° |
| N2 | C8 | H8 | H8A | 109.3° | 120.0° |
| N2 | C8 | C6 | H6 | 120.9° | 175.0° |
| N2 | C8 | C6 | H6A | 2.0° | 55.0° |
| C10 | C9 | O3 | N1 | 178.7° | 180.0° |
| C10 | C9 | N1 | O2 | 176.0° | 180.0° |
| C9 | C10 | H10 | H10A | 117.5° | 120.0° |
| O3 | C9 | N1 | O2 | 5.2° | 0.0° |
| O3 | C9 | C10 | H10 | 58.0° | 120.0° |
| O3 | C9 | C10 | H10A | 179.2° | 120.0° |
| N1 | C9 | C10 | H10 | 120.8° | 60.0° |
| N1 | C9 | C10 | H10A | 2.1° | 60.0° |
| C8 | C6 | O1 | H6 | 120.0° | 120.0° |
| C8 | C6 | O1 | H6A | 121.1° | 120.0° |
| C6 | C8 | H8 | H8A | 109.4° | 120.0° |
| C8 | C6 | H6 | H6A | 121.2° | 120.1° |
| C8 | C6 | O1 | HO1 | 122.6° | 180.0° |
| O1 | C6 | C8 | H8 | 0.9° | 55.0° |
| O1 | C6 | C8 | H8A | 136.6° | 175.0° |
| O1 | C6 | H6 | H6A | 121.2° | 120.0° |
| C3 | C5 | C7 | H5 | 180.0° | 180.0° |
| C3 | C5 | C7 | C4 | 0.3° | 0.1° |
| C5 | C3 | C1 | C2 | 0.8° | 0.6° |
| C3 | C5 | C7 | H7 | 179.7° | 180.0° |
| C5 | C3 | C1 | H1 | 179.2° | 179.7° |
| C1 | C3 | C5 | C7 | 0.7° | 0.3° |
| C3 | C1 | C2 | C4 | 0.5° | 0.5° |
| C3 | C1 | C2 | H1 | 180.0° | 179.7° |
| C1 | C3 | C5 | H5 | 179.3° | 179.7° |
| C3 | C1 | C2 | H2 | 179.5° | 179.7° |
| C5 | C7 | C4 | H7 | 180.0° | 179.9° |
| C5 | C7 | C4 | F1 | 179.9° | 180.0° |
| C5 | C7 | C4 | C2 | 0.1° | 0.0° |
| C7 | C4 | F1 | C2 | 179.9° | 180.0° |
| C7 | C4 | C2 | C1 | 0.2° | 0.3° |
| C4 | C7 | C5 | H5 | 179.7° | 179.9° |
| C7 | C4 | C2 | H2 | 179.8° | 180.0° |
| F1 | C4 | C2 | C1 | 179.8° | 179.7° |
| F1 | C4 | C7 | H7 | 0.1° | 0.0° |
| F1 | C4 | C2 | H2 | 0.2° | 0.0° |
| C4 | C2 | C1 | H2 | 180.0° | 179.8° |
| C2 | C4 | C7 | H7 | 180.0° | 180.0° |
| C4 | C2 | C1 | H1 | 179.4° | 179.7° |
| H8 | C8 | C6 | H6 | 119.1° | 65.0° |
| H8 | C8 | C6 | H6A | 122.0° | 175.0° |
| H8A | C8 | C6 | H6 | 16.6° | 55.1° |
| H8A | C8 | C6 | H6A | 102.3° | 65.0° |
| H6 | C6 | O1 | HO1 | 2.7° | 60.0° |
| H6A | C6 | O1 | HO1 | 116.2° | 60.0° |
| H5 | C5 | C7 | H7 | 0.3° | 0.0° |
| H2 | C2 | C1 | H1 | 0.6° | 0.0° |
