SH8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C23 | doub | 1.22Å | 1.21Å | |
| O4 | C16 | doub | 1.22Å | 1.36Å | |
| O5 | C16 | sing | 1.35Å | 1.20Å | |
| C16 | C15 | sing | 1.47Å | 1.47Å | |
| C23 | C15 | sing | 1.47Å | 1.47Å | |
| C23 | O1 | sing | 1.35Å | 1.38Å | |
| C15 | C14 | doub | 1.39Å | 1.35Å | |
| O1 | C1 | sing | 1.35Å | 1.39Å | |
| C14 | C13 | sing | 1.42Å | 1.43Å | |
| C1 | C13 | doub | 1.41Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C4 | doub | 1.37Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| O5 | H1 | sing | 0.97Å | 0.95Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C23 | C15 | 126.7° | 121.0° |
| O6 | C23 | O1 | 116.0° | 121.0° |
| O4 | C16 | O5 | 123.9° | 120.0° |
| O4 | C16 | C15 | 111.3° | 120.0° |
| O5 | C16 | C15 | 124.6° | 120.0° |
| C16 | O5 | H1 | 109.5° | 117.0° |
| C16 | C15 | C23 | 121.1° | 121.4° |
| C16 | C15 | C14 | 119.1° | 121.4° |
| C15 | C23 | O1 | 117.2° | 117.9° |
| C23 | C15 | C14 | 119.8° | 117.2° |
| C23 | O1 | C1 | 122.4° | 116.3° |
| C15 | C14 | C13 | 121.8° | 117.9° |
| C15 | C14 | H2 | 119.1° | 121.0° |
| O1 | C1 | C13 | 120.8° | 120.3° |
| O1 | C1 | C2 | 117.9° | 120.3° |
| C14 | C13 | C1 | 117.9° | 119.8° |
| C14 | C13 | C12 | 124.0° | 120.5° |
| C13 | C14 | H2 | 119.1° | 121.0° |
| C13 | C1 | C2 | 121.3° | 119.4° |
| C1 | C13 | C12 | 118.1° | 119.7° |
| C1 | C2 | C3 | 119.2° | 119.8° |
| C1 | C2 | H5 | 120.4° | 120.1° |
| C13 | C12 | C4 | 121.6° | 119.8° |
| C13 | C12 | H3 | 119.2° | 120.1° |
| C2 | C3 | C4 | 121.3° | 120.6° |
| C2 | C3 | H4 | 119.4° | 119.6° |
| C3 | C2 | H5 | 120.4° | 120.1° |
| C12 | C4 | C3 | 118.4° | 120.6° |
| C12 | C4 | C5 | 120.6° | 119.7° |
| C4 | C12 | H3 | 119.2° | 120.1° |
| C3 | C4 | C5 | 121.0° | 119.7° |
| C4 | C3 | H4 | 119.3° | 119.8° |
| C4 | C5 | H6 | 109.5° | 109.5° |
| C4 | C5 | H7 | 109.5° | 109.5° |
| C4 | C5 | H8 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.4° |
| H6 | C5 | H8 | 109.4° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C23 | C15 | C16 | 5.2° | 26.1° |
| O6 | C23 | C15 | O1 | 175.6° | 179.9° |
| O6 | C23 | C15 | C14 | 174.2° | 154.1° |
| O6 | C23 | O1 | C1 | 173.6° | 140.7° |
| O4 | C16 | O5 | C15 | 174.8° | 180.0° |
| O4 | C16 | C15 | C23 | 51.1° | 179.7° |
| O4 | C16 | C15 | C14 | 128.2° | 0.0° |
| O4 | C16 | O5 | H1 | 0.0° | 0.0° |
| O5 | C16 | C15 | C23 | 133.5° | 0.3° |
| O5 | C16 | C15 | C14 | 47.2° | 180.0° |
| C16 | C15 | C23 | C14 | 179.3° | 179.7° |
| C16 | C15 | C23 | O1 | 179.2° | 153.8° |
| C16 | C15 | C14 | C13 | 178.4° | 178.6° |
| C15 | C16 | O5 | H1 | 174.8° | 180.0° |
| C16 | C15 | C14 | H2 | 1.6° | 1.4° |
| C15 | C23 | O1 | C1 | 2.5° | 39.4° |
| C23 | C15 | C14 | C13 | 0.9° | 1.1° |
| C23 | C15 | C14 | H2 | 179.1° | 178.9° |
| O1 | C23 | C15 | C14 | 1.4° | 26.0° |
| C23 | O1 | C1 | C13 | 1.2° | 28.3° |
| C23 | O1 | C1 | C2 | 176.7° | 153.1° |
| C15 | C14 | C13 | H2 | 180.0° | 180.0° |
| C15 | C14 | C13 | C1 | 2.2° | 9.8° |
| C15 | C14 | C13 | C12 | 176.6° | 170.9° |
| O1 | C1 | C13 | C14 | 1.2° | 3.4° |
| O1 | C1 | C13 | C2 | 177.9° | 178.6° |
| O1 | C1 | C13 | C12 | 177.8° | 175.9° |
| O1 | C1 | C2 | C3 | 177.5° | 177.2° |
| O1 | C1 | C2 | H5 | 2.5° | 2.8° |
| C14 | C13 | C1 | C12 | 178.9° | 179.3° |
| C14 | C13 | C1 | C2 | 179.1° | 178.0° |
| C14 | C13 | C12 | C4 | 178.8° | 178.4° |
| C14 | C13 | C12 | H3 | 1.2° | 1.6° |
| C13 | C1 | C2 | C3 | 0.5° | 1.4° |
| C1 | C13 | C12 | C4 | 0.0° | 2.3° |
| C1 | C13 | C14 | H2 | 177.8° | 170.2° |
| C1 | C13 | C12 | H3 | 180.0° | 177.7° |
| C13 | C1 | C2 | H5 | 179.5° | 178.6° |
| C2 | C1 | C13 | C12 | 0.1° | 2.7° |
| C1 | C2 | C3 | H5 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.7° | 0.4° |
| C1 | C2 | C3 | H4 | 179.3° | 179.7° |
| C13 | C12 | C4 | H3 | 180.0° | 180.0° |
| C13 | C12 | C4 | C3 | 0.2° | 0.6° |
| C13 | C12 | C4 | C5 | 179.0° | 179.4° |
| C12 | C13 | C14 | H2 | 3.4° | 9.1° |
| C2 | C3 | C4 | C12 | 0.5° | 0.8° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 178.7° | 179.3° |
| C12 | C4 | C3 | C5 | 179.2° | 179.9° |
| C12 | C4 | C3 | H4 | 179.4° | 179.3° |
| C12 | C4 | C5 | H6 | 89.6° | 90.0° |
| C12 | C4 | C5 | H7 | 150.4° | 150.0° |
| C12 | C4 | C5 | H8 | 30.4° | 30.0° |
| C3 | C4 | C12 | H3 | 179.8° | 179.4° |
| C4 | C3 | C2 | H5 | 179.3° | 179.7° |
| C3 | C4 | C5 | H6 | 89.6° | 89.9° |
| C3 | C4 | C5 | H7 | 30.4° | 30.0° |
| C3 | C4 | C5 | H8 | 150.4° | 150.0° |
| C5 | C4 | C12 | H3 | 1.0° | 0.6° |
| C5 | C4 | C3 | H4 | 1.3° | 0.7° |
| C4 | C5 | H6 | H7 | 120.0° | 120.0° |
| C4 | C5 | H6 | H8 | 120.0° | 120.1° |
| C4 | C5 | H7 | H8 | 120.0° | 120.0° |
| H4 | C3 | C2 | H5 | 0.7° | 0.2° |
| H6 | C5 | H7 | H8 | 119.9° | 120.0° |
