OD5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | S | doub | 1.42Å | 1.44Å | |
| C | S | sing | 1.76Å | 1.76Å | |
| C | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| O1 | C2 | sing | 1.36Å | 1.36Å | |
| C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| O2 | C3 | sing | 1.36Å | 1.36Å | |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | S | sing | 1.76Å | 1.76Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| O3 | C9 | sing | 1.36Å | 1.37Å | |
| C9 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| O4 | C10 | sing | 1.36Å | 1.36Å | |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| S | O5 | doub | 1.42Å | 1.44Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| O4 | H8 | sing | 0.97Å | 0.95Å | |
| O3 | H7 | sing | 0.97Å | 0.95Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C1 | H | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | S | C | 108.1° | 106.4° |
| O | S | C6 | 108.2° | 106.4° |
| O | S | O5 | 118.9° | 123.1° |
| S | C | C1 | 118.9° | 119.9° |
| S | C | C5 | 119.9° | 120.0° |
| C | S | C6 | 104.5° | 107.2° |
| C | S | O5 | 108.0° | 106.4° |
| C | C1 | C2 | 119.3° | 120.0° |
| C1 | C | C5 | 121.2° | 120.1° |
| C | C1 | H | 120.3° | 120.0° |
| C1 | C2 | O1 | 118.7° | 120.0° |
| C1 | C2 | C3 | 120.0° | 119.8° |
| C2 | C1 | H | 120.4° | 120.0° |
| O1 | C2 | C3 | 121.3° | 120.1° |
| C2 | O1 | H1 | 109.5° | 114.0° |
| C2 | C3 | O2 | 120.6° | 120.0° |
| C2 | C3 | C4 | 119.6° | 119.8° |
| O2 | C3 | C4 | 119.7° | 120.1° |
| C3 | O2 | H2 | 109.5° | 114.0° |
| C3 | C4 | C5 | 120.5° | 120.0° |
| C3 | C4 | H3 | 119.7° | 120.0° |
| C4 | C5 | C | 119.4° | 120.2° |
| C5 | C4 | H3 | 119.7° | 120.0° |
| C4 | C5 | H4 | 120.3° | 119.9° |
| C | C5 | H4 | 120.3° | 119.9° |
| S | C6 | C7 | 119.9° | 119.9° |
| S | C6 | C11 | 119.1° | 120.0° |
| C6 | S | O5 | 108.2° | 106.4° |
| C6 | C7 | C8 | 119.4° | 120.2° |
| C7 | C6 | C11 | 121.0° | 120.2° |
| C6 | C7 | H5 | 120.3° | 119.9° |
| C7 | C8 | C9 | 120.4° | 120.0° |
| C7 | C8 | H6 | 119.8° | 120.0° |
| C8 | C7 | H5 | 120.3° | 119.9° |
| C8 | C9 | O3 | 119.7° | 120.1° |
| C8 | C9 | C10 | 119.6° | 119.9° |
| C9 | C8 | H6 | 119.8° | 120.0° |
| O3 | C9 | C10 | 120.7° | 120.1° |
| C9 | O3 | H7 | 109.5° | 114.0° |
| C9 | C10 | O4 | 120.8° | 120.1° |
| C9 | C10 | C11 | 119.9° | 119.8° |
| O4 | C10 | C11 | 119.3° | 120.1° |
| C10 | O4 | H8 | 109.5° | 114.0° |
| C10 | C11 | C6 | 119.6° | 120.0° |
| C10 | C11 | H9 | 120.2° | 120.0° |
| C6 | C11 | H9 | 120.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | S | C | C6 | 115.1° | 113.6° |
| O | S | C | O5 | 129.8° | 132.9° |
| O | S | C | C1 | 170.4° | 23.4° |
| O | S | C | C5 | 11.6° | 156.5° |
| O | S | C6 | O5 | 130.1° | 132.9° |
| O | S | C6 | C7 | 154.7° | 23.6° |
| O | S | C6 | C11 | 25.7° | 156.2° |
| S | C | C1 | C5 | 178.0° | 179.8° |
| S | C | C1 | C2 | 177.4° | 179.8° |
| S | C | C5 | C4 | 179.1° | 180.0° |
| C | S | C6 | O5 | 114.9° | 113.5° |
| C | S | C6 | C7 | 90.4° | 90.0° |
| C | S | C6 | C11 | 89.3° | 90.3° |
| S | C | C5 | H4 | 0.9° | 0.0° |
| S | C | C1 | H | 2.6° | 0.2° |
| C | C1 | C2 | H | 180.0° | 179.5° |
| C | C1 | C2 | O1 | 177.3° | 179.8° |
| C | C1 | C2 | C3 | 2.1° | 0.4° |
| C1 | C | C5 | C4 | 1.1° | 0.2° |
| C1 | C | S | C6 | 74.5° | 90.2° |
| C1 | C | S | O5 | 40.6° | 156.2° |
| C1 | C | C5 | H4 | 178.9° | 179.8° |
| C1 | C2 | O1 | C3 | 179.4° | 179.8° |
| C1 | C2 | C3 | O2 | 173.0° | 179.7° |
| C1 | C2 | C3 | C4 | 1.8° | 0.2° |
| C2 | C1 | C | C5 | 0.6° | 0.4° |
| C1 | C2 | O1 | H1 | 180.0° | 89.8° |
| O1 | C2 | C3 | O2 | 7.7° | 0.0° |
| O1 | C2 | C3 | C4 | 177.6° | 180.0° |
| O1 | C2 | C1 | H | 2.7° | 0.3° |
| C2 | C3 | O2 | C4 | 174.7° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | O2 | H2 | 180.0° | 90.1° |
| C3 | C2 | O1 | H1 | 0.6° | 90.0° |
| C3 | C2 | C1 | H | 178.0° | 180.0° |
| O2 | C3 | C4 | C5 | 174.7° | 180.0° |
| O2 | C3 | C4 | H3 | 5.2° | 0.0° |
| C3 | C4 | C5 | H3 | 180.0° | 179.9° |
| C3 | C4 | C5 | C | 1.4° | 0.0° |
| C3 | C4 | C5 | H4 | 178.6° | 180.0° |
| C4 | C3 | O2 | H2 | 5.3° | 90.0° |
| C4 | C5 | C | H4 | 180.0° | 180.0° |
| C5 | C | S | C6 | 103.5° | 89.9° |
| C5 | C | S | O5 | 141.4° | 23.6° |
| C | C5 | C4 | H3 | 178.6° | 179.9° |
| C5 | C | C1 | H | 179.4° | 180.0° |
| S | C6 | C7 | C11 | 179.6° | 179.7° |
| S | C6 | C7 | C8 | 179.0° | 180.0° |
| S | C6 | C11 | C10 | 178.9° | 180.0° |
| S | C6 | C11 | H9 | 1.1° | 0.0° |
| S | C6 | C7 | H5 | 1.0° | 0.0° |
| C6 | C7 | C8 | H5 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.3° | 0.0° |
| C7 | C6 | C11 | C10 | 1.4° | 0.3° |
| C7 | C6 | S | O5 | 24.6° | 156.5° |
| C6 | C7 | C8 | H6 | 179.6° | 179.8° |
| C7 | C6 | C11 | H9 | 178.6° | 179.8° |
| C7 | C8 | C9 | H6 | 180.0° | 179.8° |
| C7 | C8 | C9 | O3 | 178.2° | 180.0° |
| C7 | C8 | C9 | C10 | 0.7° | 0.2° |
| C8 | C7 | C6 | C11 | 1.4° | 0.3° |
| C8 | C9 | O3 | C10 | 178.9° | 179.8° |
| C8 | C9 | C10 | O4 | 178.8° | 180.0° |
| C8 | C9 | C10 | C11 | 0.7° | 0.2° |
| C8 | C9 | O3 | H7 | 180.0° | 90.2° |
| C9 | C8 | C7 | H5 | 179.7° | 180.0° |
| O3 | C9 | C10 | O4 | 2.3° | 0.2° |
| O3 | C9 | C10 | C11 | 178.2° | 180.0° |
| O3 | C9 | C8 | H6 | 1.8° | 0.2° |
| C9 | C10 | O4 | C11 | 179.5° | 179.8° |
| C9 | C10 | C11 | C6 | 0.3° | 0.1° |
| C10 | C9 | C8 | H6 | 179.3° | 180.0° |
| C9 | C10 | C11 | H9 | 179.7° | 180.0° |
| C9 | C10 | O4 | H8 | 180.0° | 89.9° |
| C10 | C9 | O3 | H7 | 1.1° | 90.0° |
| O4 | C10 | C11 | C6 | 179.9° | 179.8° |
| O4 | C10 | C11 | H9 | 0.1° | 0.2° |
| C10 | C11 | C6 | H9 | 180.0° | 179.9° |
| C11 | C10 | O4 | H8 | 0.4° | 90.3° |
| C11 | C6 | S | O5 | 155.8° | 23.2° |
| C11 | C6 | C7 | H5 | 178.6° | 179.7° |
| H3 | C4 | C5 | H4 | 1.4° | 0.1° |
| H6 | C8 | C7 | H5 | 0.3° | 0.2° |
