34D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | O3 | sing | 1.36Å | 1.34Å | |
| C3 | C4 | sing | 1.39Å | 1.43Å | Aromatic |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.38Å | 1.43Å | Aromatic |
| C5 | O5 | sing | 1.36Å | 1.37Å | |
| C1 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C1 | C | sing | 1.48Å | 1.51Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C | O1 | doub | 1.21Å | 1.26Å | |
| C | O2 | sing | 1.35Å | 1.26Å | |
| O2 | HA | sing | 0.97Å | 0.95Å | |
| O5 | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 119.0° | 119.9° |
| C3 | C2 | H2 | 120.5° | 120.0° |
| C2 | C3 | O3 | 116.6° | 120.0° |
| C2 | C3 | C4 | 119.7° | 120.1° |
| C1 | C2 | H2 | 120.5° | 120.1° |
| C2 | C1 | C6 | 122.2° | 119.8° |
| C2 | C1 | C | 117.5° | 120.1° |
| O3 | C3 | C4 | 123.7° | 119.9° |
| C3 | O3 | H3 | 109.5° | 106.8° |
| C3 | C4 | C5 | 122.3° | 120.2° |
| C3 | C4 | H4 | 118.9° | 119.9° |
| C5 | C4 | H4 | 118.8° | 119.9° |
| C4 | C5 | C6 | 117.3° | 120.1° |
| C4 | C5 | O5 | 121.1° | 120.0° |
| C6 | C5 | O5 | 121.6° | 120.0° |
| C5 | C6 | C1 | 119.6° | 119.9° |
| C5 | C6 | H6 | 120.2° | 120.1° |
| C5 | O5 | H5 | 109.5° | 106.8° |
| C6 | C1 | C | 120.2° | 120.1° |
| C1 | C6 | H6 | 120.2° | 120.0° |
| C1 | C | O1 | 112.1° | 120.0° |
| C1 | C | O2 | 123.9° | 120.0° |
| O1 | C | O2 | 124.0° | 120.0° |
| C | O2 | HA | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H2 | 180.0° | 179.4° |
| C2 | C3 | O3 | C4 | 179.2° | 179.7° |
| C2 | C3 | O3 | H3 | 128.7° | 89.6° |
| C2 | C3 | C4 | C5 | 0.3° | 0.3° |
| C2 | C3 | C4 | H4 | 179.7° | 179.7° |
| C3 | C2 | C1 | C6 | 0.8° | 0.6° |
| C3 | C2 | C1 | C | 177.2° | 179.7° |
| C1 | C2 | C3 | O3 | 179.4° | 179.7° |
| C1 | C2 | C3 | C4 | 0.2° | 0.6° |
| C2 | C1 | C6 | C5 | 1.1° | 0.3° |
| C2 | C1 | C6 | C | 176.2° | 179.6° |
| C2 | C1 | C6 | H6 | 178.9° | 179.8° |
| C2 | C1 | C | O1 | 111.7° | 179.7° |
| C2 | C1 | C | O2 | 66.2° | 0.3° |
| H2 | C2 | C3 | O3 | 0.6° | 0.3° |
| H2 | C2 | C3 | C4 | 179.9° | 180.0° |
| H2 | C2 | C1 | C6 | 179.2° | 180.0° |
| H2 | C2 | C1 | C | 2.8° | 0.4° |
| O3 | C3 | C4 | C5 | 178.9° | 180.0° |
| O3 | C3 | C4 | H4 | 1.1° | 0.0° |
| C4 | C3 | O3 | H3 | 52.0° | 90.1° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | O5 | 179.9° | 180.0° |
| C4 | C5 | C6 | O5 | 179.9° | 180.0° |
| C4 | C5 | C6 | C1 | 0.6° | 0.0° |
| C4 | C5 | C6 | H6 | 179.4° | 179.9° |
| C4 | C5 | O5 | H5 | 127.5° | 90.0° |
| H4 | C4 | C5 | C6 | 180.0° | 180.0° |
| H4 | C4 | C5 | O5 | 0.1° | 0.0° |
| C5 | C6 | C1 | H6 | 180.0° | 179.9° |
| C5 | C6 | C1 | C | 177.3° | 180.0° |
| C6 | C5 | O5 | H5 | 52.6° | 90.0° |
| O5 | C5 | C6 | C1 | 179.3° | 180.0° |
| O5 | C5 | C6 | H6 | 0.7° | 0.1° |
| C6 | C1 | C | O1 | 64.7° | 0.0° |
| C6 | C1 | C | O2 | 117.4° | 180.0° |
| C | C1 | C6 | H6 | 2.7° | 0.1° |
| C1 | C | O1 | O2 | 177.9° | 180.0° |
| C1 | C | O2 | HA | 177.6° | 180.0° |
| O1 | C | O2 | HA | 0.0° | 0.0° |
