13X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C6 | sing | 1.36Å | 1.32Å | |
| C1 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.34Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.36Å | Aromatic |
| O8 | C2 | sing | 1.36Å | 1.36Å | |
| C2 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | O9 | sing | 1.36Å | 1.41Å | |
| O9 | H1 | sing | 0.97Å | 0.95Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| O8 | H3 | sing | 0.97Å | 0.95Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| O7 | H5 | sing | 0.97Å | 0.95Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C6 | C1 | 119.7° | 120.0° |
| O7 | C6 | C5 | 118.3° | 120.0° |
| C6 | O7 | H5 | 109.5° | 114.0° |
| C6 | C1 | C2 | 119.2° | 120.0° |
| C1 | C6 | C5 | 121.9° | 120.0° |
| C6 | C1 | H6 | 120.4° | 120.0° |
| C1 | C2 | O8 | 120.1° | 120.0° |
| C1 | C2 | C3 | 122.2° | 120.0° |
| C2 | C1 | H6 | 120.4° | 120.0° |
| C6 | C5 | C4 | 118.6° | 120.0° |
| C6 | C5 | H4 | 120.7° | 120.0° |
| O8 | C2 | C3 | 117.5° | 120.0° |
| C2 | O8 | H3 | 109.5° | 114.0° |
| C2 | C3 | C4 | 116.9° | 120.0° |
| C2 | C3 | H2 | 121.5° | 120.0° |
| C5 | C4 | C3 | 120.7° | 120.0° |
| C5 | C4 | O9 | 120.9° | 120.0° |
| C4 | C5 | H4 | 120.7° | 120.0° |
| C3 | C4 | O9 | 118.0° | 120.0° |
| C4 | C3 | H2 | 121.5° | 120.0° |
| C4 | O9 | H1 | 109.5° | 114.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C6 | C1 | C5 | 178.0° | 180.0° |
| O7 | C6 | C1 | C2 | 179.7° | 179.7° |
| O7 | C6 | C5 | C4 | 178.7° | 180.0° |
| O7 | C6 | C5 | H4 | 1.2° | 0.0° |
| O7 | C6 | C1 | H6 | 0.3° | 0.0° |
| C6 | C1 | C2 | H6 | 180.0° | 179.7° |
| C6 | C1 | C2 | O8 | 179.6° | 179.7° |
| C6 | C1 | C2 | C3 | 5.7° | 0.2° |
| C1 | C6 | C5 | C4 | 0.7° | 0.0° |
| C1 | C6 | C5 | H4 | 179.2° | 179.9° |
| C1 | C6 | O7 | H5 | 180.0° | 89.9° |
| C2 | C1 | C6 | C5 | 1.7° | 0.3° |
| C1 | C2 | O8 | C3 | 174.9° | 180.0° |
| C1 | C2 | C3 | C4 | 8.4° | 0.0° |
| C1 | C2 | C3 | H2 | 171.6° | 180.0° |
| C1 | C2 | O8 | H3 | 180.0° | 90.0° |
| C6 | C5 | C4 | H4 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 3.7° | 0.2° |
| C6 | C5 | C4 | O9 | 176.0° | 180.0° |
| C5 | C6 | O7 | H5 | 1.9° | 90.0° |
| C5 | C6 | C1 | H6 | 178.3° | 180.0° |
| O8 | C2 | C3 | C4 | 176.8° | 180.0° |
| O8 | C2 | C3 | H2 | 3.2° | 0.0° |
| O8 | C2 | C1 | H6 | 0.4° | 0.0° |
| C2 | C3 | C4 | C5 | 7.3° | 0.3° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | O9 | 179.8° | 180.0° |
| C3 | C2 | O8 | H3 | 5.0° | 90.0° |
| C3 | C2 | C1 | H6 | 174.3° | 180.0° |
| C5 | C4 | C3 | O9 | 172.5° | 179.7° |
| C5 | C4 | O9 | H1 | 180.0° | 90.3° |
| C5 | C4 | C3 | H2 | 172.7° | 179.7° |
| C3 | C4 | O9 | H1 | 7.5° | 90.0° |
| C3 | C4 | C5 | H4 | 176.3° | 179.8° |
| O9 | C4 | C3 | H2 | 0.2° | 0.0° |
| O9 | C4 | C5 | H4 | 4.0° | 0.0° |
