173
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1B | C1 | sing | 1.35Å | 1.24Å | |
| O1B | HOX | sing | 0.97Å | 0.95Å | |
| C1 | O1A | doub | 1.21Å | 1.26Å | |
| C1 | C2 | sing | 1.49Å | 1.52Å | |
| C2 | O2 | doub | 1.21Å | 1.23Å | |
| C2 | C1G | sing | 1.47Å | 1.41Å | |
| C1G | C2D | doub | 1.40Å | 1.38Å | Aromatic |
| C1G | C1D | sing | 1.40Å | 1.39Å | Aromatic |
| C2D | C2E | sing | 1.38Å | 1.41Å | Aromatic |
| C2D | H2D | sing | 1.08Å | 1.10Å | |
| C2E | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2E | H2E | sing | 1.08Å | 1.10Å | |
| C3 | C1E | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C1E | C1D | doub | 1.38Å | 1.40Å | Aromatic |
| C1E | H1E | sing | 1.08Å | 1.10Å | |
| C1D | H1D | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1B | HOX | 124.8° | 120.0° |
| O1B | C1 | O1A | 124.8° | 120.1° |
| O1B | C1 | C2 | 120.2° | 120.0° |
| O1A | C1 | C2 | 115.0° | 120.0° |
| C1 | C2 | O2 | 113.5° | 120.0° |
| C1 | C2 | C1G | 125.4° | 120.0° |
| O2 | C2 | C1G | 120.9° | 120.0° |
| C2 | C1G | C2D | 125.6° | 120.1° |
| C2 | C1G | C1D | 119.0° | 120.2° |
| C2D | C1G | C1D | 115.4° | 119.7° |
| C1G | C2D | C2E | 122.4° | 119.8° |
| C1G | C2D | H2D | 117.9° | 120.1° |
| C1G | C1D | C1E | 123.0° | 119.9° |
| C1G | C1D | H1D | 118.0° | 120.1° |
| C2E | C2D | H2D | 119.7° | 120.2° |
| C2D | C2E | C3 | 121.2° | 120.2° |
| C2D | C2E | H2E | 120.3° | 119.9° |
| C3 | C2E | H2E | 118.4° | 119.9° |
| C2E | C3 | C1E | 117.2° | 120.3° |
| C2E | C3 | H3 | 121.4° | 119.8° |
| C1E | C3 | H3 | 121.4° | 119.8° |
| C3 | C1E | C1D | 120.9° | 120.2° |
| C3 | C1E | H1E | 118.8° | 119.8° |
| C1D | C1E | H1E | 120.3° | 120.0° |
| C1E | C1D | H1D | 119.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1B | C1 | O1A | C2 | 178.1° | 180.0° |
| O1B | C1 | C2 | O2 | 163.2° | 5.3° |
| O1B | C1 | C2 | C1G | 20.3° | 174.7° |
| HOX | O1B | C1 | O1A | 180.0° | 0.0° |
| HOX | O1B | C1 | C2 | 2.0° | 179.9° |
| O1A | C1 | C2 | O2 | 18.7° | 174.8° |
| O1A | C1 | C2 | C1G | 157.9° | 5.2° |
| C1 | C2 | O2 | C1G | 176.8° | 180.0° |
| C1 | C2 | C1G | C2D | 21.3° | 173.8° |
| C1 | C2 | C1G | C1D | 156.8° | 5.9° |
| O2 | C2 | C1G | C2D | 162.3° | 6.2° |
| O2 | C2 | C1G | C1D | 19.6° | 174.1° |
| C2 | C1G | C2D | C1D | 178.1° | 179.7° |
| C2 | C1G | C2D | C2E | 179.1° | 179.9° |
| C2 | C1G | C2D | H2D | 0.9° | 0.0° |
| C2 | C1G | C1D | C1E | 179.4° | 179.8° |
| C2 | C1G | C1D | H1D | 0.6° | 0.3° |
| C1G | C2D | C2E | H2D | 180.0° | 180.0° |
| C1G | C2D | C2E | C3 | 0.4° | 0.1° |
| C1G | C2D | C2E | H2E | 179.6° | 180.0° |
| C2D | C1G | C1D | C1E | 1.1° | 0.5° |
| C2D | C1G | C1D | H1D | 178.9° | 180.0° |
| C1D | C1G | C2D | C2E | 1.0° | 0.2° |
| C1D | C1G | C2D | H2D | 179.0° | 179.7° |
| C1G | C1D | C1E | C3 | 0.7° | 0.5° |
| C1G | C1D | C1E | H1D | 180.0° | 179.4° |
| C1G | C1D | C1E | H1E | 179.3° | 179.7° |
| C2D | C2E | C3 | H2E | 180.0° | 179.9° |
| C2D | C2E | C3 | C1E | 0.1° | 0.1° |
| C2D | C2E | C3 | H3 | 179.9° | 179.9° |
| H2D | C2D | C2E | C3 | 179.6° | 180.0° |
| H2D | C2D | C2E | H2E | 0.4° | 0.1° |
| C2E | C3 | C1E | H3 | 180.0° | 180.0° |
| C2E | C3 | C1E | C1D | 0.1° | 0.2° |
| C2E | C3 | C1E | H1E | 179.9° | 180.0° |
| H2E | C2E | C3 | C1E | 180.0° | 180.0° |
| H2E | C2E | C3 | H3 | 0.1° | 0.0° |
| C3 | C1E | C1D | H1E | 180.0° | 179.8° |
| C3 | C1E | C1D | H1D | 179.3° | 179.9° |
| H3 | C3 | C1E | C1D | 179.9° | 179.8° |
| H3 | C3 | C1E | H1E | 0.1° | 0.0° |
| H1E | C1E | C1D | H1D | 0.7° | 0.3° |
