A1BDD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | C01 | sing | 1.43Å | 1.40Å | |
| O02 | C03 | sing | 1.36Å | 1.40Å | |
| C10 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.53Å | |
| C07 | O08 | sing | 1.43Å | 1.39Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| O08 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O02 | C03 | 114.5° | 117.0° |
| O02 | C01 | H1 | 109.5° | 109.5° |
| O02 | C01 | H2 | 109.5° | 109.5° |
| O02 | C01 | H3 | 109.5° | 109.5° |
| O02 | C03 | C10 | 119.4° | 120.0° |
| O02 | C03 | C04 | 121.0° | 120.1° |
| C03 | C10 | C09 | 119.9° | 119.9° |
| C10 | C03 | C04 | 119.6° | 119.9° |
| C03 | C10 | H9 | 120.1° | 120.1° |
| C10 | C09 | C06 | 120.5° | 120.1° |
| C10 | C09 | H8 | 119.7° | 119.9° |
| C09 | C10 | H9 | 120.0° | 120.1° |
| C03 | C04 | C05 | 120.6° | 120.0° |
| C03 | C04 | H4 | 119.7° | 120.0° |
| C09 | C06 | C05 | 119.8° | 120.1° |
| C09 | C06 | C07 | 119.3° | 119.9° |
| C06 | C09 | H8 | 119.7° | 120.0° |
| C04 | C05 | C06 | 119.5° | 120.1° |
| C05 | C04 | H4 | 119.7° | 120.0° |
| C04 | C05 | H5 | 120.3° | 120.0° |
| C05 | C06 | C07 | 120.8° | 119.9° |
| C06 | C05 | H5 | 120.2° | 120.0° |
| C06 | C07 | O08 | 110.2° | 109.5° |
| C06 | C07 | H6 | 109.3° | 109.4° |
| C06 | C07 | H7 | 109.3° | 109.4° |
| O08 | C07 | H6 | 109.2° | 109.5° |
| O08 | C07 | H7 | 109.3° | 109.5° |
| C07 | O08 | H10 | 109.5° | 114.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H6 | C07 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O02 | C03 | C10 | 156.8° | 0.3° |
| C01 | O02 | C03 | C04 | 23.4° | 180.0° |
| O02 | C01 | H1 | H2 | 120.0° | 120.0° |
| O02 | C01 | H1 | H3 | 120.0° | 120.0° |
| O02 | C01 | H2 | H3 | 120.0° | 120.0° |
| O02 | C03 | C10 | C04 | 179.7° | 179.8° |
| O02 | C03 | C10 | C09 | 179.7° | 179.8° |
| O02 | C03 | C04 | C05 | 179.8° | 179.7° |
| C03 | O02 | C01 | H1 | 180.0° | 60.0° |
| C03 | O02 | C01 | H2 | 60.0° | 60.0° |
| C03 | O02 | C01 | H3 | 60.0° | 180.0° |
| O02 | C03 | C04 | H4 | 0.2° | 0.2° |
| O02 | C03 | C10 | H9 | 0.3° | 0.3° |
| C03 | C10 | C09 | H9 | 180.0° | 180.0° |
| C03 | C10 | C09 | C06 | 0.1° | 0.0° |
| C10 | C03 | C04 | C05 | 0.5° | 0.1° |
| C10 | C03 | C04 | H4 | 179.5° | 180.0° |
| C03 | C10 | C09 | H8 | 179.8° | 180.0° |
| C09 | C10 | C03 | C04 | 0.5° | 0.0° |
| C10 | C09 | C06 | H8 | 180.0° | 180.0° |
| C10 | C09 | C06 | C05 | 0.3° | 0.0° |
| C10 | C09 | C06 | C07 | 179.4° | 179.9° |
| C03 | C04 | C05 | H4 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.0° | 0.1° |
| C03 | C04 | C05 | H5 | 180.0° | 180.0° |
| C04 | C03 | C10 | H9 | 179.5° | 180.0° |
| C09 | C06 | C05 | C04 | 0.4° | 0.1° |
| C09 | C06 | C05 | C07 | 179.1° | 179.9° |
| C09 | C06 | C07 | O08 | 155.8° | 90.0° |
| C09 | C06 | C05 | H5 | 179.6° | 180.0° |
| C09 | C06 | C07 | H6 | 35.7° | 30.1° |
| C09 | C06 | C07 | H7 | 84.1° | 150.0° |
| C06 | C09 | C10 | H9 | 179.9° | 180.0° |
| C04 | C05 | C06 | H5 | 180.0° | 179.9° |
| C04 | C05 | C06 | C07 | 179.4° | 180.0° |
| C05 | C06 | C07 | O08 | 25.2° | 90.0° |
| C06 | C05 | C04 | H4 | 180.0° | 180.0° |
| C05 | C06 | C07 | H6 | 145.3° | 150.0° |
| C05 | C06 | C07 | H7 | 94.9° | 30.0° |
| C05 | C06 | C09 | H8 | 179.7° | 180.0° |
| C06 | C07 | O08 | H6 | 120.1° | 120.0° |
| C06 | C07 | O08 | H7 | 120.1° | 120.0° |
| C07 | C06 | C05 | H5 | 0.6° | 0.1° |
| C06 | C07 | H6 | H7 | 119.7° | 119.9° |
| C07 | C06 | C09 | H8 | 0.6° | 0.1° |
| C06 | C07 | O08 | H10 | 180.0° | 180.0° |
| O08 | C07 | H6 | H7 | 119.6° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C04 | C05 | H5 | 0.0° | 0.1° |
| H6 | C07 | O08 | H10 | 59.9° | 60.0° |
| H7 | C07 | O08 | H10 | 59.9° | 60.0° |
| H8 | C09 | C10 | H9 | 0.1° | 0.0° |
