BFL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C12 | sing | 1.39Å | 1.43Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | doub | 1.38Å | 1.42Å | Aromatic |
| C2 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | sing | 1.38Å | 1.43Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C13 | doub | 1.39Å | 1.43Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C5 | C7 | sing | 1.53Å | 1.54Å | |
| C5 | C9 | sing | 1.51Å | 1.55Å | |
| C5 | H5 | sing | 1.09Å | 1.12Å | |
| C6 | O1 | sing | 1.34Å | 1.21Å | |
| C6 | O2 | doub | 1.21Å | 1.29Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C7 | H73 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | C10 | doub | 1.38Å | 1.44Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.43Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | doub | 1.39Å | 1.46Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | sing | 1.48Å | 1.51Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.46Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.43Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C1 | C12 | 123.9° | 119.9° |
| C8 | C1 | H1 | 116.8° | 120.1° |
| C1 | C8 | C9 | 118.8° | 120.2° |
| C1 | C8 | H8 | 120.3° | 119.9° |
| C12 | C1 | H1 | 119.2° | 120.0° |
| C1 | C12 | C11 | 117.0° | 119.7° |
| C1 | C12 | C13 | 122.2° | 120.2° |
| C3 | C2 | C15 | 120.8° | 120.2° |
| C3 | C2 | H2 | 120.3° | 119.9° |
| C2 | C3 | C4 | 120.2° | 120.2° |
| C2 | C3 | H3 | 119.6° | 119.9° |
| C15 | C2 | H2 | 118.9° | 119.8° |
| C2 | C15 | C14 | 120.8° | 120.1° |
| C2 | C15 | H15 | 118.6° | 119.9° |
| C4 | C3 | H3 | 120.2° | 119.9° |
| C3 | C4 | C13 | 119.7° | 119.9° |
| C3 | C4 | H4 | 120.2° | 120.1° |
| C13 | C4 | H4 | 120.2° | 120.0° |
| C4 | C13 | C12 | 120.5° | 120.1° |
| C4 | C13 | C14 | 119.7° | 119.7° |
| C6 | C5 | C7 | 114.4° | 109.5° |
| C6 | C5 | C9 | 105.6° | 109.4° |
| C6 | C5 | H5 | 110.2° | 109.5° |
| C5 | C6 | O1 | 124.3° | 119.9° |
| C5 | C6 | O2 | 113.0° | 120.0° |
| C7 | C5 | C9 | 113.1° | 109.5° |
| C7 | C5 | H5 | 102.2° | 109.5° |
| C5 | C7 | H71 | 110.4° | 109.5° |
| C5 | C7 | H72 | 114.4° | 109.5° |
| C5 | C7 | H73 | 110.4° | 109.5° |
| C9 | C5 | H5 | 111.6° | 109.5° |
| C5 | C9 | C8 | 116.8° | 119.9° |
| C5 | C9 | C10 | 123.1° | 119.9° |
| O1 | C6 | O2 | 122.8° | 120.0° |
| C6 | O1 | HO1 | 124.3° | 119.9° |
| H71 | C7 | H72 | 110.4° | 109.5° |
| H71 | C7 | H73 | 99.8° | 109.5° |
| H72 | C7 | H73 | 110.4° | 109.4° |
| C9 | C8 | H8 | 120.9° | 119.9° |
| C8 | C9 | C10 | 120.1° | 120.2° |
| C9 | C10 | C11 | 120.9° | 120.2° |
| C9 | C10 | H10 | 120.0° | 119.9° |
| C11 | C10 | H10 | 119.1° | 119.9° |
| C10 | C11 | C12 | 119.4° | 119.9° |
| C10 | C11 | H11 | 119.3° | 120.1° |
| C12 | C11 | H11 | 121.3° | 120.0° |
| C11 | C12 | C13 | 120.9° | 120.1° |
| C12 | C13 | C14 | 119.8° | 120.1° |
| C13 | C14 | C15 | 118.9° | 119.9° |
| C13 | C14 | H14 | 121.4° | 120.0° |
| C15 | C14 | H14 | 119.7° | 120.1° |
| C14 | C15 | H15 | 120.7° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C1 | C12 | H1 | 180.0° | 179.8° |
| C1 | C8 | C9 | C5 | 179.5° | 179.8° |
| C1 | C8 | C9 | H8 | 180.0° | 179.5° |
| C1 | C8 | C9 | C10 | 0.1° | 0.5° |
| C8 | C1 | C12 | C11 | 0.2° | 0.2° |
| C8 | C1 | C12 | C13 | 179.1° | 179.8° |
| C1 | C12 | C13 | C4 | 135.4° | 39.8° |
| C12 | C1 | C8 | C9 | 0.0° | 0.5° |
| C12 | C1 | C8 | H8 | 180.0° | 180.0° |
| C1 | C12 | C11 | C10 | 0.3° | 0.0° |
| C1 | C12 | C11 | C13 | 179.4° | 180.0° |
| C1 | C12 | C11 | H11 | 179.7° | 180.0° |
| C1 | C12 | C13 | C14 | 45.4° | 140.0° |
| H1 | C1 | C8 | C9 | 180.0° | 179.7° |
| H1 | C1 | C8 | H8 | 0.0° | 0.2° |
| H1 | C1 | C12 | C11 | 179.8° | 180.0° |
| H1 | C1 | C12 | C13 | 0.9° | 0.0° |
| C3 | C2 | C15 | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C13 | 0.1° | 0.0° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| C3 | C2 | C15 | C14 | 0.2° | 0.3° |
| C3 | C2 | C15 | H15 | 179.8° | 180.0° |
| C15 | C2 | C3 | C4 | 0.3° | 0.0° |
| C15 | C2 | C3 | H3 | 179.7° | 179.9° |
| C2 | C15 | C14 | C13 | 0.1° | 0.6° |
| C2 | C15 | C14 | H15 | 180.0° | 179.7° |
| C2 | C15 | C14 | H14 | 179.9° | 179.9° |
| H2 | C2 | C3 | C4 | 179.8° | 179.9° |
| H2 | C2 | C3 | H3 | 0.2° | 0.0° |
| H2 | C2 | C15 | C14 | 179.8° | 179.7° |
| H2 | C2 | C15 | H15 | 0.2° | 0.1° |
| C3 | C4 | C13 | H4 | 180.0° | 180.0° |
| C3 | C4 | C13 | C12 | 179.2° | 180.0° |
| C3 | C4 | C13 | C14 | 0.0° | 0.2° |
| H3 | C3 | C4 | C13 | 179.9° | 180.0° |
| H3 | C3 | C4 | H4 | 0.1° | 0.0° |
| C4 | C13 | C12 | C11 | 45.3° | 140.3° |
| C4 | C13 | C12 | C14 | 179.2° | 179.7° |
| C4 | C13 | C14 | C15 | 0.0° | 0.6° |
| C4 | C13 | C14 | H14 | 180.0° | 180.0° |
| H4 | C4 | C13 | C12 | 0.8° | 0.0° |
| H4 | C4 | C13 | C14 | 180.0° | 179.8° |
| C6 | C5 | C7 | C9 | 120.9° | 120.0° |
| C6 | C5 | C7 | H5 | 119.0° | 120.0° |
| C6 | C5 | C9 | H5 | 119.7° | 120.0° |
| C5 | C6 | O1 | O2 | 180.0° | 179.9° |
| C6 | C5 | C7 | H71 | 54.7° | 60.0° |
| C6 | C5 | C7 | H72 | 180.0° | 60.0° |
| C6 | C5 | C7 | H73 | 54.7° | 180.0° |
| C6 | C5 | C9 | C8 | 93.6° | 60.2° |
| C6 | C5 | C9 | C10 | 86.0° | 120.0° |
| C5 | C6 | O1 | HO1 | 180.0° | 180.0° |
| C7 | C5 | C9 | H5 | 114.6° | 120.0° |
| C7 | C5 | C6 | O1 | 52.5° | 60.0° |
| C7 | C5 | C6 | O2 | 127.5° | 120.0° |
| C5 | C7 | H71 | H72 | 127.5° | 120.1° |
| C5 | C7 | H71 | H73 | 116.3° | 120.0° |
| C5 | C7 | H72 | H73 | 125.3° | 120.0° |
| C7 | C5 | C9 | C8 | 140.6° | 59.7° |
| C7 | C5 | C9 | C10 | 39.8° | 120.0° |
| C9 | C5 | C6 | O1 | 72.4° | 180.0° |
| C9 | C5 | C6 | O2 | 107.6° | 0.0° |
| C9 | C5 | C7 | H71 | 66.2° | 180.0° |
| C9 | C5 | C7 | H72 | 59.1° | 60.0° |
| C9 | C5 | C7 | H73 | 175.6° | 60.0° |
| C5 | C9 | C8 | C10 | 179.6° | 179.7° |
| C5 | C9 | C8 | H8 | 0.5° | 0.2° |
| C5 | C9 | C10 | C11 | 179.5° | 180.0° |
| C5 | C9 | C10 | H10 | 0.5° | 0.1° |
| H5 | C5 | C6 | O1 | 167.0° | 60.1° |
| H5 | C5 | C6 | O2 | 13.0° | 120.0° |
| H5 | C5 | C7 | H71 | 173.8° | 60.0° |
| H5 | C5 | C7 | H72 | 60.9° | 179.9° |
| H5 | C5 | C7 | H73 | 64.3° | 60.0° |
| H5 | C5 | C9 | C8 | 26.1° | 179.7° |
| H5 | C5 | C9 | C10 | 154.3° | 0.0° |
| O2 | C6 | O1 | HO1 | 0.0° | 0.0° |
| H71 | C7 | H72 | H73 | 109.4° | 120.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.3° |
| C8 | C9 | C10 | H10 | 179.9° | 179.8° |
| H8 | C8 | C9 | C10 | 179.9° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.1° | 0.1° |
| C9 | C10 | C11 | H11 | 179.9° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 179.1° | 180.0° |
| H10 | C10 | C11 | C12 | 179.9° | 180.0° |
| H10 | C10 | C11 | H11 | 0.1° | 0.1° |
| C11 | C12 | C13 | C14 | 133.9° | 40.0° |
| H11 | C11 | C12 | C13 | 0.9° | 0.0° |
| C12 | C13 | C14 | C15 | 179.2° | 179.7° |
| C12 | C13 | C14 | H14 | 0.8° | 0.2° |
| C13 | C14 | C15 | H14 | 180.0° | 179.5° |
| C13 | C14 | C15 | H15 | 179.9° | 179.7° |
| H14 | C14 | C15 | H15 | 0.1° | 0.3° |
