NMR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | B02 | doub | 1.27Å | 1.34Å | |
| O01 | B02 | sing | 1.42Å | 1.35Å | |
| B02 | C03 | sing | 1.57Å | 1.57Å | |
| C03 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
| C03 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | CL1 | sing | 1.74Å | 1.77Å | |
| C05 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | CL2 | sing | 1.74Å | 1.78Å | |
| C04 | H1 | sing | 1.08Å | 1.08Å | |
| C07 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| O01 | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | B02 | O01 | 120.1° | 120.0° |
| O11 | B02 | C03 | 119.2° | 120.0° |
| O01 | B02 | C03 | 119.4° | 120.0° |
| B02 | O01 | H4 | 109.5° | 117.1° |
| B02 | C03 | C04 | 120.2° | 120.1° |
| B02 | C03 | C10 | 119.6° | 120.2° |
| C04 | C03 | C10 | 120.1° | 119.7° |
| C03 | C04 | C05 | 118.9° | 119.9° |
| C03 | C04 | H1 | 120.5° | 120.0° |
| C03 | C10 | C08 | 119.9° | 119.9° |
| C03 | C10 | H3 | 120.1° | 120.1° |
| C04 | C05 | CL1 | 121.2° | 119.9° |
| C04 | C05 | C07 | 121.8° | 120.1° |
| C05 | C04 | H1 | 120.5° | 120.1° |
| C10 | C08 | C07 | 120.3° | 120.1° |
| C10 | C08 | CL2 | 122.1° | 120.0° |
| C08 | C10 | H3 | 120.0° | 120.0° |
| CL1 | C05 | C07 | 117.0° | 119.9° |
| C05 | C07 | C08 | 118.9° | 120.3° |
| C05 | C07 | H2 | 120.5° | 119.8° |
| C07 | C08 | CL2 | 117.6° | 119.9° |
| C08 | C07 | H2 | 120.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | B02 | O01 | C03 | 166.6° | 179.7° |
| O11 | B02 | C03 | C04 | 13.7° | 0.3° |
| O11 | B02 | C03 | C10 | 166.2° | 179.5° |
| O11 | B02 | O01 | H4 | 0.0° | 0.3° |
| O01 | B02 | C03 | C04 | 179.6° | 180.0° |
| O01 | B02 | C03 | C10 | 0.5° | 0.2° |
| B02 | C03 | C04 | C10 | 179.9° | 179.8° |
| B02 | C03 | C04 | C05 | 179.5° | 180.0° |
| B02 | C03 | C10 | C08 | 179.3° | 179.7° |
| B02 | C03 | C04 | H1 | 0.5° | 0.0° |
| B02 | C03 | C10 | H3 | 0.7° | 0.0° |
| C03 | B02 | O01 | H4 | 166.5° | 180.0° |
| C03 | C04 | C05 | H1 | 180.0° | 180.0° |
| C04 | C03 | C10 | C08 | 0.8° | 0.5° |
| C03 | C04 | C05 | CL1 | 179.3° | 180.0° |
| C03 | C04 | C05 | C07 | 0.6° | 0.0° |
| C04 | C03 | C10 | H3 | 179.2° | 179.8° |
| C10 | C03 | C04 | C05 | 0.6° | 0.2° |
| C03 | C10 | C08 | H3 | 180.0° | 179.7° |
| C03 | C10 | C08 | C07 | 0.9° | 0.6° |
| C03 | C10 | C08 | CL2 | 179.9° | 179.7° |
| C10 | C03 | C04 | H1 | 179.4° | 179.8° |
| C04 | C05 | CL1 | C07 | 178.8° | 180.0° |
| C04 | C05 | C07 | C08 | 0.7° | 0.0° |
| C04 | C05 | C07 | H2 | 179.3° | 180.0° |
| C10 | C08 | C07 | C05 | 0.9° | 0.3° |
| C10 | C08 | C07 | CL2 | 179.1° | 179.7° |
| C10 | C08 | C07 | H2 | 179.1° | 179.8° |
| CL1 | C05 | C07 | C08 | 179.5° | 180.0° |
| CL1 | C05 | C04 | H1 | 0.7° | 0.0° |
| CL1 | C05 | C07 | H2 | 0.5° | 0.0° |
| C05 | C07 | C08 | H2 | 180.0° | 179.9° |
| C05 | C07 | C08 | CL2 | 179.9° | 180.0° |
| C07 | C05 | C04 | H1 | 179.4° | 180.0° |
| C07 | C08 | C10 | H3 | 179.1° | 179.7° |
| CL2 | C08 | C07 | H2 | 0.1° | 0.0° |
| CL2 | C08 | C10 | H3 | 0.1° | 0.0° |
