BPL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.41Å | 1.42Å | Aromatic |
| C4 | C15 | sing | 1.46Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.42Å | Aromatic |
| C5 | C14 | sing | 1.41Å | 1.42Å | Aromatic |
| C6 | C7 | sing | 1.46Å | 1.42Å | Aromatic |
| C6 | C11 | sing | 1.41Å | 1.42Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C7 | C16 | sing | 1.42Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.41Å | 1.42Å | Aromatic |
| C8 | N21 | sing | 1.39Å | 1.44Å | |
| C9 | C10 | doub | 1.42Å | 1.43Å | Aromatic |
| C9 | C17 | sing | 1.41Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.46Å | 1.42Å | Aromatic |
| C10 | C20 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | C12 | doub | 1.41Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.36Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | doub | 1.41Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | doub | 1.35Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | doub | 1.36Å | 1.39Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | doub | 1.36Å | 1.40Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| N21 | C22 | sing | 1.35Å | 1.39Å | |
| N21 | H21 | sing | 0.97Å | 1.00Å | |
| C22 | O23 | doub | 1.22Å | 1.23Å | |
| C22 | N24 | sing | 1.35Å | 1.38Å | |
| N24 | C25 | sing | 1.47Å | 1.45Å | |
| N24 | H24 | sing | 0.97Å | 1.01Å | |
| C25 | H26 | sing | 1.09Å | 1.11Å | |
| C25 | H27 | sing | 1.09Å | 1.11Å | |
| C25 | H28 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C14 | 119.9° | 120.1° |
| C2 | C1 | H1 | 119.0° | 119.9° |
| C1 | C2 | C3 | 120.3° | 121.5° |
| C1 | C2 | H2 | 119.9° | 119.3° |
| C14 | C1 | H1 | 121.0° | 120.0° |
| C1 | C14 | C5 | 120.3° | 118.9° |
| C1 | C14 | C13 | 120.5° | 121.8° |
| C3 | C2 | H2 | 119.8° | 119.2° |
| C2 | C3 | C4 | 120.4° | 120.2° |
| C2 | C3 | H3 | 119.2° | 119.9° |
| C4 | C3 | H3 | 120.4° | 119.9° |
| C3 | C4 | C5 | 119.7° | 118.8° |
| C3 | C4 | C15 | 120.5° | 121.7° |
| C5 | C4 | C15 | 119.7° | 119.4° |
| C4 | C5 | C6 | 120.2° | 119.7° |
| C4 | C5 | C14 | 119.2° | 120.5° |
| C4 | C15 | C16 | 120.3° | 121.0° |
| C4 | C15 | H15 | 120.7° | 119.6° |
| C6 | C5 | C14 | 120.5° | 119.8° |
| C5 | C6 | C7 | 119.5° | 119.7° |
| C5 | C6 | C11 | 119.8° | 119.6° |
| C5 | C14 | C13 | 119.2° | 119.3° |
| C7 | C6 | C11 | 120.7° | 120.7° |
| C6 | C7 | C8 | 119.3° | 119.5° |
| C6 | C7 | C16 | 118.9° | 119.2° |
| C6 | C11 | C10 | 119.7° | 118.5° |
| C6 | C11 | C12 | 117.9° | 119.7° |
| C8 | C7 | C16 | 121.7° | 121.3° |
| C7 | C8 | C9 | 120.5° | 120.8° |
| C7 | C8 | N21 | 121.9° | 119.6° |
| C7 | C16 | C15 | 121.3° | 121.0° |
| C7 | C16 | H16 | 121.2° | 119.6° |
| C9 | C8 | N21 | 117.7° | 119.6° |
| C8 | C9 | C10 | 120.1° | 121.0° |
| C8 | C9 | C17 | 121.1° | 120.1° |
| C8 | N21 | C22 | 125.2° | 120.0° |
| C8 | N21 | H21 | 116.0° | 120.0° |
| C10 | C9 | C17 | 118.7° | 119.0° |
| C9 | C10 | C11 | 119.6° | 119.6° |
| C9 | C10 | C20 | 118.0° | 119.6° |
| C9 | C17 | C18 | 121.9° | 119.9° |
| C9 | C17 | H17 | 121.6° | 120.1° |
| C11 | C10 | C20 | 122.3° | 120.8° |
| C10 | C11 | C12 | 122.4° | 121.8° |
| C10 | C20 | C19 | 121.7° | 119.8° |
| C10 | C20 | H20 | 121.6° | 120.1° |
| C11 | C12 | C13 | 122.1° | 120.9° |
| C11 | C12 | H12 | 121.6° | 119.5° |
| C13 | C12 | H12 | 116.3° | 119.6° |
| C12 | C13 | C14 | 120.3° | 120.7° |
| C12 | C13 | H13 | 119.2° | 119.6° |
| C14 | C13 | H13 | 120.5° | 119.6° |
| C16 | C15 | H15 | 118.9° | 119.5° |
| C15 | C16 | H16 | 117.5° | 119.5° |
| C18 | C17 | H17 | 116.5° | 120.0° |
| C17 | C18 | C19 | 119.5° | 120.9° |
| C17 | C18 | H18 | 120.4° | 119.6° |
| C19 | C18 | H18 | 120.1° | 119.5° |
| C18 | C19 | C20 | 120.1° | 120.8° |
| C18 | C19 | H19 | 119.0° | 119.6° |
| C20 | C19 | H19 | 120.9° | 119.6° |
| C19 | C20 | H20 | 116.6° | 120.1° |
| C22 | N21 | H21 | 118.8° | 119.9° |
| N21 | C22 | O23 | 123.3° | 120.0° |
| N21 | C22 | N24 | 114.1° | 120.0° |
| O23 | C22 | N24 | 122.6° | 120.0° |
| C22 | N24 | C25 | 123.0° | 120.0° |
| C22 | N24 | H24 | 120.0° | 120.0° |
| C25 | N24 | H24 | 116.7° | 120.0° |
| N24 | C25 | H26 | 110.0° | 109.5° |
| N24 | C25 | H27 | 112.0° | 109.5° |
| N24 | C25 | H28 | 110.0° | 109.4° |
| H26 | C25 | H27 | 108.0° | 109.5° |
| H26 | C25 | H28 | 107.5° | 109.5° |
| H27 | C25 | H28 | 109.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C14 | H1 | 179.4° | 179.9° |
| C1 | C2 | C3 | H2 | 179.9° | 179.9° |
| C1 | C2 | C3 | C4 | 2.5° | 0.1° |
| C1 | C2 | C3 | H3 | 176.8° | 180.0° |
| C2 | C1 | C14 | C5 | 1.3° | 0.1° |
| C2 | C1 | C14 | C13 | 179.8° | 180.0° |
| C14 | C1 | C2 | C3 | 0.5° | 0.0° |
| C14 | C1 | C2 | H2 | 179.6° | 179.9° |
| C1 | C14 | C5 | C4 | 1.1° | 0.1° |
| C1 | C14 | C5 | C6 | 179.8° | 179.9° |
| C1 | C14 | C5 | C13 | 178.6° | 179.9° |
| C1 | C14 | C13 | C12 | 177.9° | 180.0° |
| C1 | C14 | C13 | H13 | 1.2° | 0.1° |
| H1 | C1 | C2 | C3 | 178.9° | 179.9° |
| H1 | C1 | C2 | H2 | 1.0° | 0.0° |
| H1 | C1 | C14 | C5 | 179.3° | 180.0° |
| H1 | C1 | C14 | C13 | 0.7° | 0.1° |
| C2 | C3 | C4 | H3 | 179.3° | 180.0° |
| C2 | C3 | C4 | C5 | 2.6° | 0.0° |
| C2 | C3 | C4 | C15 | 178.6° | 180.0° |
| H2 | C2 | C3 | C4 | 177.6° | 180.0° |
| H2 | C2 | C3 | H3 | 3.1° | 0.0° |
| C3 | C4 | C5 | C15 | 178.8° | 180.0° |
| C3 | C4 | C5 | C6 | 178.2° | 179.9° |
| C3 | C4 | C5 | C14 | 0.8° | 0.1° |
| C3 | C4 | C15 | C16 | 178.6° | 179.9° |
| C3 | C4 | C15 | H15 | 0.3° | 0.0° |
| H3 | C3 | C4 | C5 | 176.7° | 180.0° |
| H3 | C3 | C4 | C15 | 2.2° | 0.0° |
| C4 | C5 | C6 | C14 | 179.0° | 179.8° |
| C4 | C5 | C6 | C7 | 1.7° | 0.3° |
| C4 | C5 | C6 | C11 | 178.0° | 179.9° |
| C4 | C5 | C14 | C13 | 179.7° | 180.0° |
| C5 | C4 | C15 | C16 | 0.3° | 0.1° |
| C5 | C4 | C15 | H15 | 179.1° | 180.0° |
| C15 | C4 | C5 | C6 | 0.6° | 0.1° |
| C15 | C4 | C5 | C14 | 179.7° | 179.9° |
| C4 | C15 | C16 | C7 | 1.0° | 0.2° |
| C4 | C15 | C16 | H15 | 178.9° | 179.9° |
| C4 | C15 | C16 | H16 | 179.0° | 180.0° |
| C5 | C6 | C7 | C11 | 179.6° | 179.7° |
| C5 | C6 | C7 | C8 | 179.5° | 179.7° |
| C5 | C6 | C7 | C16 | 2.3° | 0.5° |
| C5 | C6 | C11 | C10 | 179.4° | 180.0° |
| C5 | C6 | C11 | C12 | 1.1° | 0.1° |
| C6 | C5 | C14 | C13 | 1.3° | 0.1° |
| C14 | C5 | C6 | C7 | 179.3° | 179.9° |
| C14 | C5 | C6 | C11 | 1.1° | 0.1° |
| C5 | C14 | C13 | C12 | 3.5° | 0.1° |
| C5 | C14 | C13 | H13 | 177.4° | 180.0° |
| C6 | C7 | C8 | C16 | 178.1° | 179.2° |
| C6 | C7 | C8 | C9 | 0.2° | 0.5° |
| C6 | C7 | C8 | N21 | 178.8° | 179.7° |
| C7 | C6 | C11 | C10 | 0.3° | 0.2° |
| C7 | C6 | C11 | C12 | 179.2° | 179.8° |
| C6 | C7 | C16 | C15 | 2.0° | 0.4° |
| C6 | C7 | C16 | H16 | 178.0° | 179.8° |
| C11 | C6 | C7 | C8 | 0.8° | 0.5° |
| C11 | C6 | C7 | C16 | 177.3° | 179.8° |
| C6 | C11 | C10 | C9 | 2.1° | 0.0° |
| C6 | C11 | C10 | C12 | 179.5° | 179.9° |
| C6 | C11 | C10 | C20 | 179.3° | 180.0° |
| C6 | C11 | C12 | C13 | 1.1° | 0.1° |
| C6 | C11 | C12 | H12 | 179.6° | 180.0° |
| C7 | C8 | C9 | N21 | 179.0° | 179.7° |
| C7 | C8 | C9 | C10 | 1.6° | 0.3° |
| C7 | C8 | C9 | C17 | 179.4° | 179.7° |
| C8 | C7 | C16 | C15 | 179.9° | 179.7° |
| C8 | C7 | C16 | H16 | 0.1° | 0.6° |
| C7 | C8 | N21 | C22 | 92.7° | 120.3° |
| C7 | C8 | N21 | H21 | 89.7° | 59.7° |
| C16 | C7 | C8 | C9 | 177.9° | 179.8° |
| C16 | C7 | C8 | N21 | 3.2° | 0.5° |
| C7 | C16 | C15 | H16 | 180.0° | 179.8° |
| C7 | C16 | C15 | H15 | 179.9° | 179.9° |
| C8 | C9 | C10 | C17 | 179.0° | 180.0° |
| C8 | C9 | C10 | C11 | 2.7° | 0.0° |
| C8 | C9 | C10 | C20 | 178.6° | 180.0° |
| C8 | C9 | C17 | C18 | 179.8° | 180.0° |
| C8 | C9 | C17 | H17 | 1.0° | 0.0° |
| C9 | C8 | N21 | C22 | 88.3° | 60.0° |
| C9 | C8 | N21 | H21 | 89.3° | 120.0° |
| N21 | C8 | C9 | C10 | 179.4° | 180.0° |
| N21 | C8 | C9 | C17 | 0.4° | 0.0° |
| C8 | N21 | C22 | H21 | 177.6° | 180.0° |
| C8 | N21 | C22 | O23 | 3.8° | 0.0° |
| C8 | N21 | C22 | N24 | 174.2° | 180.0° |
| C9 | C10 | C11 | C20 | 178.6° | 180.0° |
| C9 | C10 | C11 | C12 | 177.4° | 179.9° |
| C10 | C9 | C17 | C18 | 0.8° | 0.0° |
| C10 | C9 | C17 | H17 | 180.0° | 180.0° |
| C9 | C10 | C20 | C19 | 1.9° | 0.0° |
| C9 | C10 | C20 | H20 | 179.4° | 179.9° |
| C17 | C9 | C10 | C11 | 178.2° | 180.0° |
| C17 | C9 | C10 | C20 | 0.4° | 0.0° |
| C9 | C17 | C18 | H17 | 179.3° | 180.0° |
| C9 | C17 | C18 | C19 | 0.6° | 0.0° |
| C9 | C17 | C18 | H18 | 179.0° | 180.0° |
| C10 | C11 | C12 | C13 | 178.4° | 180.0° |
| C10 | C11 | C12 | H12 | 0.9° | 0.1° |
| C11 | C10 | C20 | C19 | 176.8° | 179.9° |
| C11 | C10 | C20 | H20 | 2.0° | 0.1° |
| C20 | C10 | C11 | C12 | 1.2° | 0.1° |
| C10 | C20 | C19 | C18 | 2.1° | 0.0° |
| C10 | C20 | C19 | H20 | 178.8° | 179.9° |
| C10 | C20 | C19 | H19 | 178.0° | 180.0° |
| C11 | C12 | C13 | H12 | 179.3° | 179.9° |
| C11 | C12 | C13 | C14 | 3.5° | 0.1° |
| C11 | C12 | C13 | H13 | 177.4° | 180.0° |
| C12 | C13 | C14 | H13 | 179.1° | 179.9° |
| H12 | C12 | C13 | C14 | 177.2° | 180.0° |
| H12 | C12 | C13 | H13 | 1.9° | 0.1° |
| H15 | C15 | C16 | H16 | 0.1° | 0.1° |
| C17 | C18 | C19 | H18 | 179.6° | 180.0° |
| C17 | C18 | C19 | C20 | 0.8° | 0.0° |
| C17 | C18 | C19 | H19 | 179.2° | 180.0° |
| H17 | C17 | C18 | C19 | 179.9° | 179.9° |
| H17 | C17 | C18 | H18 | 0.3° | 0.0° |
| C18 | C19 | C20 | H19 | 179.9° | 180.0° |
| C18 | C19 | C20 | H20 | 179.1° | 179.9° |
| H18 | C18 | C19 | C20 | 179.6° | 180.0° |
| H18 | C18 | C19 | H19 | 0.4° | 0.0° |
| H19 | C19 | C20 | H20 | 0.9° | 0.1° |
| N21 | C22 | O23 | N24 | 177.9° | 180.0° |
| N21 | C22 | N24 | C25 | 172.3° | 180.0° |
| N21 | C22 | N24 | H24 | 1.2° | 0.1° |
| H21 | N21 | C22 | O23 | 178.6° | 180.0° |
| H21 | N21 | C22 | N24 | 3.4° | 0.0° |
| O23 | C22 | N24 | C25 | 5.7° | 0.1° |
| O23 | C22 | N24 | H24 | 179.3° | 180.0° |
| C22 | N24 | C25 | H24 | 173.8° | 179.9° |
| C22 | N24 | C25 | H26 | 118.9° | 180.0° |
| C22 | N24 | C25 | H27 | 1.2° | 59.9° |
| C22 | N24 | C25 | H28 | 122.8° | 60.0° |
| N24 | C25 | H26 | H27 | 122.5° | 120.0° |
| N24 | C25 | H26 | H28 | 119.7° | 120.0° |
| N24 | C25 | H27 | H28 | 122.1° | 119.9° |
| H24 | N24 | C25 | H26 | 54.8° | 0.1° |
| H24 | N24 | C25 | H27 | 174.9° | 120.0° |
| H24 | N24 | C25 | H28 | 63.4° | 120.1° |
| H26 | C25 | H27 | H28 | 116.6° | 120.1° |
