BK0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL16 | C12 | sing | 1.74Å | 1.78Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| O08 | C07 | doub | 1.22Å | 1.18Å | |
| C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N09 | sing | 1.40Å | 1.45Å | |
| C07 | N09 | sing | 1.35Å | 1.45Å | |
| C07 | C05 | sing | 1.48Å | 1.53Å | |
| N04 | C05 | doub | 1.33Å | 1.32Å | Aromatic |
| N04 | C03 | sing | 1.32Å | 1.32Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| C03 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C01 | doub | 1.39Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.39Å | 1.39Å | Aromatic |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| N09 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL16 | C12 | C13 | 119.9° | 119.9° |
| CL16 | C12 | C11 | 120.0° | 120.0° |
| C13 | C12 | C11 | 120.1° | 120.1° |
| C12 | C13 | C14 | 119.9° | 120.1° |
| C12 | C13 | H6 | 120.0° | 119.9° |
| C12 | C11 | C10 | 120.1° | 119.9° |
| C12 | C11 | H5 | 120.0° | 120.0° |
| C13 | C14 | C15 | 120.0° | 120.1° |
| C14 | C13 | H6 | 120.1° | 120.0° |
| C13 | C14 | H7 | 120.0° | 119.9° |
| O08 | C07 | N09 | 121.0° | 120.0° |
| O08 | C07 | C05 | 119.5° | 120.0° |
| C11 | C10 | C15 | 119.6° | 119.9° |
| C11 | C10 | N09 | 120.8° | 120.0° |
| C10 | C11 | H5 | 119.9° | 120.1° |
| C14 | C15 | C10 | 120.3° | 119.9° |
| C15 | C14 | H7 | 120.0° | 120.0° |
| C14 | C15 | H8 | 119.9° | 120.0° |
| C15 | C10 | N09 | 119.6° | 120.0° |
| C10 | C15 | H8 | 119.8° | 120.1° |
| C10 | N09 | C07 | 122.5° | 120.0° |
| C10 | N09 | H9 | 118.7° | 119.9° |
| N09 | C07 | C05 | 119.5° | 120.0° |
| C07 | N09 | H9 | 118.8° | 120.1° |
| C07 | C05 | N04 | 119.4° | 119.7° |
| C07 | C05 | C06 | 119.2° | 119.7° |
| C05 | N04 | C03 | 121.2° | 121.7° |
| N04 | C05 | C06 | 121.4° | 120.5° |
| N04 | C03 | C02 | 121.5° | 120.9° |
| N04 | C03 | H3 | 119.2° | 119.6° |
| C05 | C06 | C01 | 118.4° | 119.0° |
| C05 | C06 | H4 | 120.8° | 120.4° |
| C03 | C02 | C01 | 118.2° | 119.4° |
| C03 | C02 | H2 | 120.9° | 120.4° |
| C02 | C03 | H3 | 119.2° | 119.5° |
| C06 | C01 | C02 | 119.4° | 118.5° |
| C06 | C01 | H1 | 120.3° | 120.7° |
| C01 | C06 | H4 | 120.8° | 120.5° |
| C02 | C01 | H1 | 120.3° | 120.8° |
| C01 | C02 | H2 | 120.9° | 120.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL16 | C12 | C13 | C11 | 179.9° | 179.9° |
| CL16 | C12 | C13 | C14 | 179.9° | 180.0° |
| CL16 | C12 | C11 | C10 | 179.8° | 180.0° |
| CL16 | C12 | C11 | H5 | 0.2° | 0.0° |
| CL16 | C12 | C13 | H6 | 0.1° | 0.0° |
| C12 | C13 | C14 | H6 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.3° | 0.1° |
| C12 | C13 | C14 | C15 | 0.0° | 0.1° |
| C13 | C12 | C11 | H5 | 179.7° | 180.0° |
| C12 | C13 | C14 | H7 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.1° |
| C12 | C11 | C10 | H5 | 180.0° | 180.0° |
| C12 | C11 | C10 | C15 | 0.5° | 0.0° |
| C12 | C11 | C10 | N09 | 179.8° | 179.7° |
| C11 | C12 | C13 | H6 | 180.0° | 179.9° |
| C13 | C14 | C15 | H7 | 180.0° | 179.9° |
| C13 | C14 | C15 | C10 | 0.2° | 0.1° |
| C13 | C14 | C15 | H8 | 179.9° | 179.8° |
| O08 | C07 | N09 | C10 | 0.0° | 4.7° |
| O08 | C07 | N09 | C05 | 179.9° | 179.9° |
| O08 | C07 | C05 | N04 | 22.1° | 179.9° |
| O08 | C07 | C05 | C06 | 157.6° | 0.0° |
| O08 | C07 | N09 | H9 | 180.0° | 175.3° |
| C11 | C10 | C15 | C14 | 0.4° | 0.1° |
| C11 | C10 | C15 | N09 | 179.4° | 179.8° |
| C11 | C10 | N09 | C07 | 50.4° | 35.3° |
| C11 | C10 | C15 | H8 | 179.6° | 179.7° |
| C11 | C10 | N09 | H9 | 129.6° | 144.6° |
| C14 | C15 | C10 | H8 | 180.0° | 179.7° |
| C14 | C15 | C10 | N09 | 179.8° | 179.7° |
| C15 | C14 | C13 | H6 | 180.0° | 179.9° |
| C15 | C10 | N09 | C07 | 130.3° | 144.9° |
| C15 | C10 | C11 | H5 | 179.5° | 180.0° |
| C10 | C15 | C14 | H7 | 179.8° | 180.0° |
| C15 | C10 | N09 | H9 | 49.7° | 35.1° |
| C10 | N09 | C07 | H9 | 180.0° | 180.0° |
| C10 | N09 | C07 | C05 | 179.9° | 175.4° |
| N09 | C10 | C11 | H5 | 0.1° | 0.3° |
| N09 | C10 | C15 | H8 | 0.2° | 0.0° |
| N09 | C07 | C05 | N04 | 157.9° | 0.0° |
| N09 | C07 | C05 | C06 | 22.3° | 180.0° |
| C07 | C05 | N04 | C06 | 179.7° | 180.0° |
| C07 | C05 | N04 | C03 | 179.8° | 179.7° |
| C07 | C05 | C06 | C01 | 179.9° | 180.0° |
| C07 | C05 | C06 | H4 | 0.1° | 0.0° |
| C05 | C07 | N09 | H9 | 0.1° | 4.6° |
| C05 | N04 | C03 | C02 | 0.1° | 0.3° |
| N04 | C05 | C06 | C01 | 0.1° | 0.0° |
| C05 | N04 | C03 | H3 | 179.9° | 179.8° |
| N04 | C05 | C06 | H4 | 179.9° | 180.0° |
| C03 | N04 | C05 | C06 | 0.1° | 0.3° |
| N04 | C03 | C02 | H3 | 180.0° | 179.9° |
| N04 | C03 | C02 | C01 | 0.1° | 0.1° |
| N04 | C03 | C02 | H2 | 179.9° | 180.0° |
| C05 | C06 | C01 | H4 | 180.0° | 180.0° |
| C05 | C06 | C01 | C02 | 0.1° | 0.2° |
| C05 | C06 | C01 | H1 | 180.0° | 180.0° |
| C03 | C02 | C01 | C06 | 0.1° | 0.2° |
| C03 | C02 | C01 | H2 | 180.0° | 180.0° |
| C03 | C02 | C01 | H1 | 179.9° | 180.0° |
| C06 | C01 | C02 | H1 | 180.0° | 179.8° |
| C06 | C01 | C02 | H2 | 179.9° | 179.7° |
| C01 | C02 | C03 | H3 | 179.8° | 179.9° |
| C02 | C01 | C06 | H4 | 180.0° | 179.7° |
| H1 | C01 | C02 | H2 | 0.1° | 0.1° |
| H1 | C01 | C06 | H4 | 0.0° | 0.1° |
| H2 | C02 | C03 | H3 | 0.2° | 0.1° |
| H6 | C13 | C14 | H7 | 0.0° | 0.0° |
| H7 | C14 | C15 | H8 | 0.1° | 0.4° |
