0GZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C11 | doub | 1.21Å | 1.25Å | |
| O9 | C8 | doub | 1.21Å | 1.25Å | |
| C11 | O13 | sing | 1.35Å | 1.25Å | |
| C11 | C6 | sing | 1.48Å | 1.50Å | |
| C5 | C6 | doub | 1.36Å | 1.39Å | |
| C5 | C4 | sing | 1.42Å | 1.39Å | |
| C8 | O10 | sing | 1.35Å | 1.26Å | |
| C8 | C4 | sing | 1.48Å | 1.50Å | |
| C6 | O1 | sing | 1.35Å | 1.38Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | |
| O1 | C2 | sing | 1.35Å | 1.37Å | |
| C3 | C2 | sing | 1.47Å | 1.39Å | |
| C2 | O7 | doub | 1.22Å | 1.36Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| O10 | H3 | sing | 0.97Å | 0.95Å | |
| O13 | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C11 | O13 | 121.7° | 120.0° |
| O12 | C11 | C6 | 119.5° | 120.0° |
| O9 | C8 | O10 | 122.5° | 120.0° |
| O9 | C8 | C4 | 118.8° | 120.0° |
| O13 | C11 | C6 | 118.8° | 120.0° |
| C11 | O13 | H4 | 109.5° | 117.0° |
| C11 | C6 | C5 | 118.9° | 119.5° |
| C11 | C6 | O1 | 120.9° | 119.5° |
| C6 | C5 | C4 | 119.9° | 120.3° |
| C5 | C6 | O1 | 120.2° | 120.9° |
| C6 | C5 | H1 | 120.1° | 119.9° |
| C5 | C4 | C8 | 119.8° | 121.1° |
| C5 | C4 | C3 | 119.8° | 117.9° |
| C4 | C5 | H1 | 120.0° | 119.8° |
| O10 | C8 | C4 | 118.7° | 120.0° |
| C8 | O10 | H3 | 109.5° | 117.1° |
| C8 | C4 | C3 | 120.5° | 121.1° |
| C6 | O1 | C2 | 120.1° | 116.5° |
| C4 | C3 | C2 | 119.5° | 116.8° |
| C4 | C3 | H2 | 120.3° | 121.6° |
| O1 | C2 | C3 | 120.5° | 117.3° |
| O1 | C2 | O7 | 119.9° | 121.4° |
| C3 | C2 | O7 | 119.6° | 121.3° |
| C2 | C3 | H2 | 120.3° | 121.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C11 | O13 | C6 | 178.7° | 180.0° |
| O12 | C11 | C6 | C5 | 17.4° | 0.2° |
| O12 | C11 | C6 | O1 | 163.1° | 179.9° |
| O12 | C11 | O13 | H4 | 0.0° | 0.0° |
| O9 | C8 | C4 | C5 | 30.9° | 179.8° |
| O9 | C8 | O10 | C4 | 178.3° | 179.8° |
| O9 | C8 | C4 | C3 | 149.3° | 0.3° |
| O9 | C8 | O10 | H3 | 0.0° | 0.2° |
| O13 | C11 | C6 | C5 | 161.4° | 179.8° |
| O13 | C11 | C6 | O1 | 18.2° | 0.0° |
| C11 | C6 | C5 | O1 | 179.6° | 179.8° |
| C11 | C6 | C5 | C4 | 178.9° | 177.4° |
| C11 | C6 | O1 | C2 | 179.2° | 152.4° |
| C11 | C6 | C5 | H1 | 1.0° | 2.7° |
| C6 | C11 | O13 | H4 | 178.7° | 180.0° |
| C6 | C5 | C4 | H1 | 180.0° | 179.9° |
| C6 | C5 | C4 | C8 | 179.1° | 169.7° |
| C6 | C5 | C4 | C3 | 0.7° | 10.3° |
| C5 | C6 | O1 | C2 | 0.3° | 27.8° |
| C5 | C4 | C8 | O10 | 147.4° | 0.0° |
| C5 | C4 | C8 | C3 | 179.7° | 179.9° |
| C4 | C5 | C6 | O1 | 0.6° | 2.8° |
| C5 | C4 | C3 | C2 | 0.4° | 0.9° |
| C5 | C4 | C3 | H2 | 179.5° | 178.8° |
| O10 | C8 | C4 | C3 | 32.3° | 179.9° |
| C8 | C4 | C3 | C2 | 179.3° | 179.0° |
| C8 | C4 | C5 | H1 | 0.9° | 10.2° |
| C8 | C4 | C3 | H2 | 0.7° | 1.3° |
| C4 | C8 | O10 | H3 | 178.3° | 180.0° |
| C6 | O1 | C2 | C3 | 0.1° | 38.7° |
| C6 | O1 | C2 | O7 | 179.9° | 140.9° |
| O1 | C6 | C5 | H1 | 179.4° | 177.2° |
| C4 | C3 | C2 | O1 | 0.1° | 25.4° |
| C4 | C3 | C2 | H2 | 180.0° | 179.7° |
| C4 | C3 | C2 | O7 | 179.9° | 154.2° |
| C3 | C4 | C5 | H1 | 179.3° | 169.7° |
| O1 | C2 | C3 | O7 | 179.8° | 179.6° |
| O1 | C2 | C3 | H2 | 179.9° | 154.2° |
| O7 | C2 | C3 | H2 | 0.0° | 26.1° |
