OA0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | S | doub | 1.42Å | 1.42Å | |
| S | C | sing | 1.76Å | 1.76Å | |
| C | C1 | doub | 1.37Å | 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 | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.48Å | 1.48Å | |
| C6 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| O3 | C9 | sing | 1.36Å | 1.37Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | O4 | sing | 1.36Å | 1.41Å | |
| O4 | S | sing | 1.52Å | 1.59Å | |
| S | O5 | doub | 1.42Å | 1.43Å | |
| O3 | H6 | sing | 0.97Å | 0.95Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H | sing | 1.08Å | 1.08Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | S | C | 107.5° | 106.6° |
| O | S | O4 | 107.8° | 106.7° |
| O | S | O5 | 123.6° | 123.4° |
| S | C | C1 | 115.5° | 121.9° |
| S | C | C5 | 123.2° | 117.4° |
| C | S | O4 | 100.0° | 105.7° |
| C | S | O5 | 110.9° | 106.7° |
| C | C1 | C2 | 120.0° | 119.6° |
| C1 | C | C5 | 121.3° | 120.7° |
| C | C1 | H | 120.0° | 120.2° |
| C1 | C2 | O1 | 118.6° | 119.9° |
| C1 | C2 | C3 | 119.7° | 120.2° |
| C2 | C1 | H | 120.0° | 120.2° |
| O1 | C2 | C3 | 121.6° | 119.9° |
| C2 | O1 | H1 | 109.5° | 114.0° |
| C2 | C3 | O2 | 120.9° | 119.9° |
| C2 | C3 | C4 | 119.8° | 120.2° |
| O2 | C3 | C4 | 119.3° | 119.9° |
| C3 | O2 | H2 | 109.5° | 114.0° |
| C3 | C4 | C5 | 121.5° | 119.6° |
| C3 | C4 | H3 | 119.2° | 120.2° |
| C4 | C5 | C | 117.6° | 119.8° |
| C4 | C5 | C6 | 122.1° | 122.0° |
| C5 | C4 | H3 | 119.3° | 120.2° |
| C | C5 | C6 | 119.7° | 118.3° |
| C5 | C6 | C7 | 122.4° | 118.9° |
| C5 | C6 | C11 | 120.3° | 121.1° |
| C6 | C7 | C8 | 121.2° | 120.4° |
| C7 | C6 | C11 | 117.3° | 119.9° |
| C6 | C7 | H4 | 119.4° | 119.8° |
| C7 | C8 | C9 | 120.1° | 119.9° |
| C7 | C8 | H5 | 119.9° | 120.1° |
| C8 | C7 | H4 | 119.4° | 119.8° |
| C8 | C9 | O3 | 119.4° | 119.9° |
| C8 | C9 | C10 | 120.1° | 120.2° |
| C9 | C8 | H5 | 120.0° | 120.0° |
| O3 | C9 | C10 | 120.4° | 119.9° |
| C9 | O3 | H6 | 109.5° | 114.0° |
| C9 | C10 | C11 | 119.2° | 120.5° |
| C9 | C10 | H7 | 120.4° | 119.8° |
| C6 | C11 | C10 | 122.0° | 119.1° |
| C6 | C11 | O4 | 122.7° | 123.3° |
| C10 | C11 | O4 | 115.1° | 117.6° |
| C11 | C10 | H7 | 120.4° | 119.8° |
| C11 | O4 | S | 123.7° | 116.2° |
| O4 | S | O5 | 104.4° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | S | C | O4 | 112.4° | 113.2° |
| O | S | C | O5 | 137.8° | 133.5° |
| O | S | C | C1 | 94.7° | 37.2° |
| O | S | C | C5 | 83.4° | 142.8° |
| O | S | O4 | C11 | 75.9° | 160.9° |
| O | S | O4 | O5 | 133.0° | 133.5° |
| S | C | C1 | C5 | 178.2° | 180.0° |
| S | C | C1 | C2 | 177.2° | 179.5° |
| S | C | C5 | C4 | 175.3° | 178.6° |
| S | C | C5 | C6 | 13.4° | 0.0° |
| C | S | O4 | C11 | 36.3° | 47.7° |
| C | S | O4 | O5 | 114.8° | 113.3° |
| S | C | C1 | H | 2.8° | 0.6° |
| C | C1 | C2 | H | 180.0° | 180.0° |
| C | C1 | C2 | O1 | 177.7° | 179.6° |
| C | C1 | C2 | C3 | 0.5° | 0.4° |
| C1 | C | C5 | C4 | 2.8° | 1.4° |
| C1 | C | C5 | C6 | 168.5° | 180.0° |
| C1 | C | S | O4 | 152.8° | 150.4° |
| C1 | C | S | O5 | 43.0° | 96.3° |
| C1 | C2 | O1 | C3 | 177.1° | 180.0° |
| C1 | C2 | C3 | O2 | 178.6° | 179.6° |
| C1 | C2 | C3 | C4 | 0.1° | 0.4° |
| C2 | C1 | C | C5 | 0.9° | 0.5° |
| C1 | C2 | O1 | H1 | 180.0° | 90.0° |
| O1 | C2 | C3 | O2 | 4.3° | 0.4° |
| O1 | C2 | C3 | C4 | 177.1° | 179.6° |
| O1 | C2 | C1 | H | 2.3° | 0.3° |
| C2 | C3 | O2 | C4 | 178.6° | 180.0° |
| C2 | C3 | C4 | C5 | 1.9° | 0.5° |
| C2 | C3 | O2 | H2 | 180.0° | 90.0° |
| C2 | C3 | C4 | H3 | 178.2° | 179.4° |
| C3 | C2 | C1 | H | 179.5° | 179.6° |
| C3 | C2 | O1 | H1 | 2.9° | 90.0° |
| O2 | C3 | C4 | C5 | 176.7° | 179.5° |
| O2 | C3 | C4 | H3 | 3.3° | 0.5° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | C | 3.2° | 1.4° |
| C3 | C4 | C5 | C6 | 167.8° | 180.0° |
| C4 | C3 | O2 | H2 | 1.4° | 90.0° |
| C4 | C5 | C | C6 | 171.3° | 178.6° |
| C4 | C5 | C6 | C7 | 8.0° | 13.6° |
| C4 | C5 | C6 | C11 | 169.5° | 165.2° |
| C | C5 | C6 | C7 | 178.8° | 165.0° |
| C | C5 | C6 | C11 | 1.4° | 16.3° |
| C5 | C | S | O4 | 29.1° | 29.6° |
| C5 | C | S | O5 | 138.8° | 83.7° |
| C | C5 | C4 | H3 | 176.8° | 178.5° |
| C5 | C | C1 | H | 179.0° | 179.5° |
| C5 | C6 | C7 | C11 | 177.5° | 178.7° |
| C5 | C6 | C7 | C8 | 179.2° | 179.1° |
| C5 | C6 | C11 | C10 | 180.0° | 178.6° |
| C5 | C6 | C11 | O4 | 5.3° | 2.4° |
| C5 | C6 | C7 | H4 | 0.8° | 0.8° |
| C6 | C5 | C4 | H3 | 12.1° | 0.0° |
| C6 | C7 | C8 | H4 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.7° | 0.3° |
| C7 | C6 | C11 | C10 | 2.5° | 2.7° |
| C7 | C6 | C11 | O4 | 172.3° | 176.3° |
| C6 | C7 | C8 | H5 | 179.3° | 179.9° |
| C7 | C8 | C9 | H5 | 180.0° | 179.8° |
| C7 | C8 | C9 | O3 | 174.1° | 179.5° |
| C7 | C8 | C9 | C10 | 2.5° | 0.8° |
| C8 | C7 | C6 | C11 | 1.7° | 2.1° |
| C8 | C9 | O3 | C10 | 176.6° | 179.7° |
| C8 | C9 | C10 | C11 | 1.8° | 0.2° |
| C8 | C9 | O3 | H6 | 180.0° | 90.1° |
| C9 | C8 | C7 | H4 | 179.3° | 179.7° |
| C8 | C9 | C10 | H7 | 178.2° | 179.7° |
| O3 | C9 | C10 | C11 | 174.8° | 179.9° |
| O3 | C9 | C8 | H5 | 5.9° | 0.7° |
| O3 | C9 | C10 | H7 | 5.2° | 0.1° |
| C9 | C10 | C11 | C6 | 0.8° | 1.5° |
| C9 | C10 | C11 | H7 | 180.0° | 180.0° |
| C9 | C10 | C11 | O4 | 174.3° | 177.5° |
| C10 | C9 | O3 | H6 | 3.3° | 90.2° |
| C10 | C9 | C8 | H5 | 177.5° | 179.0° |
| C6 | C11 | C10 | O4 | 175.1° | 179.0° |
| C6 | C11 | O4 | S | 29.3° | 38.5° |
| C11 | C6 | C7 | H4 | 178.3° | 177.9° |
| C6 | C11 | C10 | H7 | 179.3° | 178.5° |
| C10 | C11 | O4 | S | 155.6° | 142.5° |
| C11 | O4 | S | O5 | 151.1° | 65.6° |
| O4 | C11 | C10 | H7 | 5.6° | 2.5° |
| H5 | C8 | C7 | H4 | 0.8° | 0.1° |
