GOG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | C02 | doub | 1.22Å | 1.26Å | |
| O12 | C11 | doub | 1.21Å | 1.26Å | |
| C11 | O13 | sing | 1.35Å | 1.26Å | |
| C11 | C10 | sing | 1.47Å | 1.53Å | |
| C02 | C04 | sing | 1.48Å | 1.53Å | |
| C02 | O01 | sing | 1.35Å | 1.26Å | |
| C10 | C04 | doub | 1.41Å | 1.40Å | Aromatic |
| C10 | C08 | sing | 1.40Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.38Å | Aromatic |
| O09 | C08 | sing | 1.36Å | 1.40Å | |
| C08 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | H1 | sing | 1.08Å | 1.08Å | |
| C06 | H2 | sing | 1.08Å | 1.08Å | |
| C07 | H3 | sing | 1.08Å | 1.08Å | |
| O01 | H4 | sing | 0.97Å | 0.95Å | |
| O09 | H5 | sing | 0.97Å | 0.95Å | |
| O13 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | C02 | C04 | 119.8° | 120.0° |
| O03 | C02 | O01 | 120.1° | 119.9° |
| O12 | C11 | O13 | 119.6° | 120.0° |
| O12 | C11 | C10 | 121.9° | 120.0° |
| O13 | C11 | C10 | 118.5° | 120.0° |
| C11 | O13 | H6 | 109.5° | 117.0° |
| C11 | C10 | C04 | 122.7° | 120.2° |
| C11 | C10 | C08 | 118.0° | 120.3° |
| C04 | C02 | O01 | 120.1° | 120.0° |
| C02 | C04 | C10 | 122.5° | 120.2° |
| C02 | C04 | C05 | 117.7° | 120.2° |
| C02 | O01 | H4 | 109.5° | 117.0° |
| C04 | C10 | C08 | 119.3° | 119.5° |
| C10 | C04 | C05 | 119.7° | 119.6° |
| C10 | C08 | O09 | 119.9° | 120.1° |
| C10 | C08 | C07 | 120.4° | 119.8° |
| C04 | C05 | C06 | 120.8° | 120.1° |
| C04 | C05 | H1 | 119.6° | 119.9° |
| O09 | C08 | C07 | 119.7° | 120.0° |
| C08 | O09 | H5 | 109.5° | 114.0° |
| C08 | C07 | C06 | 120.2° | 120.4° |
| C08 | C07 | H3 | 119.9° | 119.8° |
| C05 | C06 | C07 | 119.6° | 120.5° |
| C06 | C05 | H1 | 119.6° | 119.9° |
| C05 | C06 | H2 | 120.2° | 119.7° |
| C07 | C06 | H2 | 120.2° | 119.8° |
| C06 | C07 | H3 | 119.9° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | C02 | C04 | O01 | 179.6° | 180.0° |
| O03 | C02 | C04 | C10 | 112.2° | 0.0° |
| O03 | C02 | C04 | C05 | 68.4° | 180.0° |
| O03 | C02 | O01 | H4 | 0.0° | 0.0° |
| O12 | C11 | O13 | C10 | 178.7° | 180.0° |
| O12 | C11 | C10 | C04 | 18.5° | 90.0° |
| O12 | C11 | C10 | C08 | 160.9° | 90.3° |
| O12 | C11 | O13 | H6 | 0.0° | 0.0° |
| O13 | C11 | C10 | C04 | 162.8° | 90.0° |
| O13 | C11 | C10 | C08 | 17.8° | 89.7° |
| C11 | C10 | C04 | C02 | 0.6° | 0.3° |
| C11 | C10 | C04 | C08 | 179.4° | 179.8° |
| C11 | C10 | C04 | C05 | 180.0° | 179.7° |
| C11 | C10 | C08 | O09 | 0.2° | 0.2° |
| C11 | C10 | C08 | C07 | 179.5° | 179.7° |
| C10 | C11 | O13 | H6 | 178.7° | 180.0° |
| C02 | C04 | C10 | C05 | 179.5° | 180.0° |
| C02 | C04 | C10 | C08 | 179.9° | 180.0° |
| C02 | C04 | C05 | C06 | 179.9° | 180.0° |
| C02 | C04 | C05 | H1 | 0.1° | 0.1° |
| C04 | C02 | O01 | H4 | 179.6° | 180.0° |
| O01 | C02 | C04 | C10 | 67.4° | 180.0° |
| O01 | C02 | C04 | C05 | 112.1° | 0.0° |
| C04 | C10 | C08 | O09 | 179.6° | 180.0° |
| C04 | C10 | C08 | C07 | 0.1° | 0.0° |
| C10 | C04 | C05 | C06 | 0.6° | 0.0° |
| C10 | C04 | C05 | H1 | 179.4° | 179.9° |
| C08 | C10 | C04 | C05 | 0.6° | 0.0° |
| C10 | C08 | O09 | C07 | 179.7° | 180.0° |
| C10 | C08 | C07 | C06 | 0.4° | 0.0° |
| C10 | C08 | C07 | H3 | 179.6° | 179.9° |
| C10 | C08 | O09 | H5 | 180.0° | 89.9° |
| C04 | C05 | C06 | H1 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.0° | 0.0° |
| C04 | C05 | C06 | H2 | 180.0° | 180.0° |
| O09 | C08 | C07 | C06 | 179.8° | 180.0° |
| O09 | C08 | C07 | H3 | 0.2° | 0.0° |
| C08 | C07 | C06 | C05 | 0.5° | 0.0° |
| C08 | C07 | C06 | H3 | 180.0° | 180.0° |
| C08 | C07 | C06 | H2 | 179.5° | 180.0° |
| C07 | C08 | O09 | H5 | 0.3° | 90.1° |
| C05 | C06 | C07 | H2 | 180.0° | 180.0° |
| C05 | C06 | C07 | H3 | 179.5° | 180.0° |
| C07 | C06 | C05 | H1 | 180.0° | 179.9° |
| H1 | C05 | C06 | H2 | 0.0° | 0.0° |
| H2 | C06 | C07 | H3 | 0.5° | 0.1° |
