A1BDA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C09 | sing | 1.53Å | 1.52Å | |
| C08 | C06 | sing | 1.51Å | 1.50Å | |
| C09 | C10 | sing | 1.51Å | 1.53Å | |
| C06 | O07 | doub | 1.21Å | 1.18Å | |
| C06 | C05 | sing | 1.47Å | 1.53Å | |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C05 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C02 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | C04 | doub | 1.40Å | 1.40Å | Aromatic |
| C02 | C03 | doub | 1.39Å | 1.41Å | Aromatic |
| C02 | CL01 | sing | 1.74Å | 1.79Å | |
| C04 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H4 | sing | 1.09Å | 1.10Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C08 | C06 | 105.6° | 105.4° |
| C08 | C09 | C10 | 107.5° | 106.3° |
| C09 | C08 | H4 | 110.4° | 110.3° |
| C08 | C09 | H5 | 109.9° | 110.1° |
| C09 | C08 | H6 | 110.5° | 110.3° |
| C08 | C09 | H7 | 110.0° | 110.0° |
| C08 | C06 | O07 | 127.0° | 125.9° |
| C08 | C06 | C05 | 108.0° | 108.1° |
| C06 | C08 | H4 | 110.5° | 110.6° |
| C06 | C08 | H6 | 110.4° | 110.0° |
| C09 | C10 | C11 | 130.8° | 130.5° |
| C09 | C10 | C05 | 109.1° | 109.5° |
| C10 | C09 | H5 | 110.0° | 110.4° |
| C10 | C09 | H7 | 110.0° | 109.8° |
| O07 | C06 | C05 | 124.9° | 126.0° |
| C06 | C05 | C10 | 109.1° | 110.7° |
| C06 | C05 | C04 | 129.8° | 130.0° |
| C11 | C10 | C05 | 120.1° | 119.9° |
| C10 | C11 | C02 | 118.9° | 120.4° |
| C10 | C11 | H1 | 120.5° | 119.8° |
| C10 | C05 | C04 | 121.1° | 119.3° |
| C11 | C02 | C03 | 120.4° | 120.2° |
| C11 | C02 | CL01 | 120.9° | 119.9° |
| C02 | C11 | H1 | 120.5° | 119.8° |
| C05 | C04 | C03 | 118.7° | 120.1° |
| C05 | C04 | H3 | 120.7° | 119.9° |
| C03 | C02 | CL01 | 118.7° | 119.9° |
| C02 | C03 | C04 | 120.8° | 120.1° |
| C02 | C03 | H2 | 119.6° | 119.9° |
| C04 | C03 | H2 | 119.6° | 119.9° |
| C03 | C04 | H3 | 120.7° | 120.0° |
| H4 | C08 | H6 | 109.5° | 110.2° |
| H5 | C09 | H7 | 109.5° | 110.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C08 | C06 | H4 | 119.4° | 119.1° |
| C09 | C08 | C06 | H6 | 119.4° | 118.8° |
| C08 | C09 | C10 | H5 | 119.7° | 119.4° |
| C08 | C09 | C10 | H7 | 119.7° | 119.0° |
| C09 | C08 | C06 | O07 | 173.9° | 179.7° |
| C09 | C08 | C06 | C05 | 8.1° | 0.2° |
| C08 | C09 | C10 | C11 | 174.0° | 179.9° |
| C08 | C09 | C10 | C05 | 5.8° | 0.4° |
| C09 | C08 | H4 | H6 | 121.8° | 122.0° |
| C08 | C09 | H5 | H7 | 120.9° | 121.6° |
| C06 | C08 | C09 | C10 | 8.4° | 0.4° |
| C08 | C06 | O07 | C05 | 177.8° | 179.9° |
| C08 | C06 | C05 | C10 | 4.7° | 0.0° |
| C08 | C06 | C05 | C04 | 174.0° | 180.0° |
| C06 | C08 | H4 | H6 | 121.8° | 121.9° |
| C06 | C08 | C09 | H5 | 128.1° | 119.2° |
| C06 | C08 | C09 | H7 | 111.2° | 119.2° |
| C09 | C10 | C05 | C06 | 0.7° | 0.3° |
| C09 | C10 | C11 | C05 | 179.8° | 179.7° |
| C09 | C10 | C11 | C02 | 179.7° | 179.7° |
| C09 | C10 | C05 | C04 | 179.6° | 179.8° |
| C09 | C10 | C11 | H1 | 0.3° | 0.3° |
| C10 | C09 | C08 | H4 | 127.8° | 119.0° |
| C10 | C09 | H5 | H7 | 121.0° | 121.4° |
| C10 | C09 | C08 | H6 | 110.9° | 119.0° |
| O07 | C06 | C05 | C10 | 177.2° | 180.0° |
| O07 | C06 | C05 | C04 | 4.1° | 0.1° |
| O07 | C06 | C08 | H4 | 54.5° | 61.1° |
| O07 | C06 | C08 | H6 | 66.7° | 60.9° |
| C06 | C05 | C10 | C11 | 179.2° | 180.0° |
| C06 | C05 | C10 | C04 | 178.9° | 180.0° |
| C06 | C05 | C04 | C03 | 179.3° | 180.0° |
| C06 | C05 | C04 | H3 | 0.7° | 0.0° |
| C05 | C06 | C08 | H4 | 127.4° | 118.9° |
| C05 | C06 | C08 | H6 | 111.3° | 119.1° |
| C10 | C11 | C02 | H1 | 180.0° | 180.0° |
| C11 | C10 | C05 | C04 | 0.3° | 0.0° |
| C10 | C11 | C02 | C03 | 0.4° | 0.0° |
| C10 | C11 | C02 | CL01 | 179.6° | 180.0° |
| C11 | C10 | C09 | H5 | 54.4° | 60.7° |
| C11 | C10 | C09 | H7 | 66.3° | 60.9° |
| C05 | C10 | C11 | C02 | 0.1° | 0.0° |
| C10 | C05 | C04 | C03 | 0.7° | 0.0° |
| C05 | C10 | C11 | H1 | 179.9° | 180.0° |
| C10 | C05 | C04 | H3 | 179.3° | 180.0° |
| C05 | C10 | C09 | H5 | 125.5° | 119.0° |
| C05 | C10 | C09 | H7 | 113.9° | 119.4° |
| C11 | C02 | C03 | CL01 | 180.0° | 180.0° |
| C11 | C02 | C03 | C04 | 0.8° | 0.0° |
| C11 | C02 | C03 | H2 | 179.2° | 180.0° |
| C05 | C04 | C03 | C02 | 1.0° | 0.0° |
| C05 | C04 | C03 | H3 | 180.0° | 180.0° |
| C05 | C04 | C03 | H2 | 179.0° | 180.0° |
| C02 | C03 | C04 | H2 | 180.0° | 180.0° |
| C03 | C02 | C11 | H1 | 179.6° | 180.0° |
| C02 | C03 | C04 | H3 | 179.0° | 180.0° |
| CL01 | C02 | C03 | C04 | 179.1° | 180.0° |
| CL01 | C02 | C11 | H1 | 0.4° | 0.0° |
| CL01 | C02 | C03 | H2 | 0.9° | 0.0° |
| H2 | C03 | C04 | H3 | 1.0° | 0.1° |
| H4 | C08 | C09 | H5 | 112.5° | 121.4° |
| H4 | C08 | C09 | H7 | 8.1° | 0.2° |
| H5 | C09 | C08 | H6 | 8.8° | 0.5° |
| H6 | C08 | C09 | H7 | 129.4° | 122.2° |
