BPZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C16 | sing | 1.36Å | 1.36Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C7 | C5 | sing | 1.51Å | 1.52Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C5 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | C1 | sing | 1.53Å | 1.53Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C13 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | O1 | sing | 1.36Å | 1.37Å | |
| C11 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | O2 | HO2 | 109.5° | 114.0° |
| O2 | C16 | C17 | 120.3° | 120.1° |
| O2 | C16 | C15 | 119.0° | 120.0° |
| C17 | C16 | C15 | 120.7° | 119.9° |
| C16 | C17 | C18 | 120.2° | 120.0° |
| C16 | C17 | H17 | 119.9° | 120.0° |
| C16 | C15 | C14 | 119.1° | 119.9° |
| C16 | C15 | H15 | 120.5° | 120.0° |
| C14 | C15 | H15 | 120.5° | 120.0° |
| C15 | C14 | C7 | 121.3° | 120.1° |
| C15 | C14 | H14 | 119.3° | 120.0° |
| C7 | C14 | H14 | 119.4° | 119.9° |
| C14 | C7 | C18 | 119.1° | 120.1° |
| C14 | C7 | C5 | 120.3° | 120.0° |
| C18 | C17 | H17 | 119.9° | 120.0° |
| C17 | C18 | C7 | 119.6° | 120.1° |
| C17 | C18 | H18 | 120.2° | 119.9° |
| C7 | C18 | H18 | 120.2° | 120.0° |
| C18 | C7 | C5 | 120.6° | 119.9° |
| C7 | C5 | C6 | 111.1° | 109.4° |
| C7 | C5 | C4 | 110.6° | 109.5° |
| C7 | C5 | C8 | 112.3° | 109.5° |
| C6 | C5 | C4 | 110.2° | 109.5° |
| C6 | C5 | C8 | 104.4° | 109.4° |
| C5 | C6 | C13 | 119.8° | 119.9° |
| C5 | C6 | C9 | 120.9° | 120.0° |
| C4 | C5 | C8 | 108.1° | 109.5° |
| C5 | C4 | C3 | 113.3° | 109.5° |
| C5 | C4 | H4 | 108.2° | 109.4° |
| C5 | C4 | H4A | 107.4° | 109.5° |
| C5 | C8 | C1 | 114.5° | 109.4° |
| C5 | C8 | H8 | 107.8° | 109.5° |
| C5 | C8 | H8A | 106.7° | 109.4° |
| C1 | C8 | H8 | 107.8° | 109.5° |
| C1 | C8 | H8A | 106.7° | 109.5° |
| C8 | C1 | C2 | 112.7° | 109.5° |
| C8 | C1 | H1 | 108.4° | 109.4° |
| C8 | C1 | H1A | 107.7° | 109.4° |
| H8 | C8 | H8A | 113.5° | 109.5° |
| C2 | C1 | H1 | 108.4° | 109.5° |
| C2 | C1 | H1A | 107.7° | 109.5° |
| C1 | C2 | C3 | 109.3° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.4° |
| C1 | C2 | H2A | 109.6° | 109.4° |
| H1 | C1 | H1A | 112.0° | 109.5° |
| C3 | C4 | H4 | 108.2° | 109.5° |
| C3 | C4 | H4A | 107.3° | 109.5° |
| C4 | C3 | C2 | 110.2° | 109.5° |
| C4 | C3 | H3 | 109.2° | 109.5° |
| C4 | C3 | H3A | 109.0° | 109.5° |
| H4 | C4 | H4A | 112.5° | 109.5° |
| C2 | C3 | H3 | 109.2° | 109.5° |
| C2 | C3 | H3A | 109.1° | 109.4° |
| C3 | C2 | H2 | 109.6° | 109.5° |
| C3 | C2 | H2A | 109.6° | 109.5° |
| H3 | C3 | H3A | 110.1° | 109.5° |
| H2 | C2 | H2A | 109.3° | 109.5° |
| C13 | C6 | C9 | 119.2° | 120.0° |
| C6 | C13 | C12 | 121.1° | 120.1° |
| C6 | C13 | H13 | 119.5° | 119.9° |
| C6 | C9 | C10 | 120.1° | 120.1° |
| C6 | C9 | H9 | 120.0° | 119.9° |
| C12 | C13 | H13 | 119.4° | 120.0° |
| C13 | C12 | C11 | 119.6° | 120.0° |
| C13 | C12 | H12 | 120.2° | 120.0° |
| C11 | C12 | H12 | 120.2° | 120.0° |
| C12 | C11 | O1 | 119.4° | 120.1° |
| C12 | C11 | C10 | 119.9° | 119.9° |
| O1 | C11 | C10 | 120.7° | 120.1° |
| C11 | O1 | HO1 | 109.5° | 114.1° |
| C11 | C10 | C9 | 120.1° | 120.0° |
| C11 | C10 | H10 | 120.0° | 120.0° |
| C9 | C10 | H10 | 120.0° | 120.0° |
| C10 | C9 | H9 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C16 | C17 | C15 | 179.9° | 179.7° |
| O2 | C16 | C15 | C14 | 180.0° | 180.0° |
| O2 | C16 | C15 | H15 | 0.0° | 0.1° |
| O2 | C16 | C17 | C18 | 179.9° | 180.0° |
| O2 | C16 | C17 | H17 | 0.1° | 0.0° |
| HO2 | O2 | C16 | C17 | 111.1° | 90.0° |
| HO2 | O2 | C16 | C15 | 68.8° | 89.7° |
| C17 | C16 | C15 | C14 | 0.1° | 0.3° |
| C17 | C16 | C15 | H15 | 179.9° | 179.7° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C7 | 0.4° | 0.1° |
| C16 | C17 | C18 | H18 | 179.6° | 180.0° |
| C16 | C15 | C14 | H15 | 180.0° | 179.9° |
| C16 | C15 | C14 | C7 | 0.6° | 0.0° |
| C16 | C15 | C14 | H14 | 179.4° | 180.0° |
| C15 | C16 | C17 | C18 | 0.0° | 0.3° |
| C15 | C16 | C17 | H17 | 180.0° | 179.7° |
| C15 | C14 | C7 | H14 | 180.0° | 180.0° |
| C15 | C14 | C7 | C18 | 1.0° | 0.3° |
| C15 | C14 | C7 | C5 | 179.6° | 180.0° |
| H15 | C15 | C14 | C7 | 179.4° | 179.9° |
| H15 | C15 | C14 | H14 | 0.6° | 0.1° |
| C14 | C7 | C18 | C17 | 0.9° | 0.4° |
| C14 | C7 | C18 | C5 | 179.4° | 179.6° |
| C14 | C7 | C18 | H18 | 179.1° | 179.7° |
| C14 | C7 | C5 | C6 | 93.0° | 54.9° |
| C14 | C7 | C5 | C4 | 144.4° | 174.9° |
| C14 | C7 | C5 | C8 | 23.6° | 65.0° |
| H14 | C14 | C7 | C18 | 179.0° | 179.6° |
| H14 | C14 | C7 | C5 | 0.4° | 0.0° |
| C17 | C18 | C7 | H18 | 180.0° | 179.9° |
| C17 | C18 | C7 | C5 | 179.7° | 180.0° |
| H17 | C17 | C18 | C7 | 179.6° | 180.0° |
| H17 | C17 | C18 | H18 | 0.4° | 0.0° |
| C18 | C7 | C5 | C6 | 86.4° | 125.5° |
| C18 | C7 | C5 | C4 | 36.2° | 5.5° |
| C18 | C7 | C5 | C8 | 157.1° | 114.6° |
| H18 | C18 | C7 | C5 | 0.3° | 0.0° |
| C7 | C5 | C6 | C4 | 122.9° | 120.0° |
| C7 | C5 | C6 | C8 | 121.3° | 119.9° |
| C7 | C5 | C4 | C8 | 123.3° | 120.0° |
| C7 | C5 | C8 | C1 | 72.1° | 180.0° |
| C7 | C5 | C8 | H8 | 167.9° | 60.0° |
| C7 | C5 | C8 | H8A | 45.6° | 60.1° |
| C7 | C5 | C4 | C3 | 69.3° | 180.0° |
| C7 | C5 | C4 | H4 | 50.7° | 60.0° |
| C7 | C5 | C4 | H4A | 172.4° | 59.9° |
| C7 | C5 | C6 | C13 | 38.1° | 70.4° |
| C7 | C5 | C6 | C9 | 143.9° | 109.3° |
| C6 | C5 | C4 | C8 | 113.4° | 120.0° |
| C6 | C5 | C8 | C1 | 167.4° | 60.0° |
| C6 | C5 | C8 | H8 | 47.4° | 59.9° |
| C6 | C5 | C8 | H8A | 74.9° | 180.0° |
| C6 | C5 | C4 | C3 | 167.5° | 60.0° |
| C6 | C5 | C4 | H4 | 72.5° | 180.0° |
| C6 | C5 | C4 | H4A | 49.2° | 60.1° |
| C5 | C6 | C13 | C9 | 178.1° | 179.8° |
| C5 | C6 | C13 | C12 | 178.7° | 180.0° |
| C5 | C6 | C13 | H13 | 1.3° | 0.0° |
| C5 | C6 | C9 | C10 | 178.3° | 179.8° |
| C5 | C6 | C9 | H9 | 1.7° | 0.1° |
| C4 | C5 | C8 | C1 | 50.1° | 60.0° |
| C4 | C5 | C8 | H8 | 69.9° | 179.9° |
| C4 | C5 | C8 | H8A | 167.9° | 60.0° |
| C5 | C4 | C3 | H4 | 120.0° | 120.0° |
| C5 | C4 | C3 | H4A | 118.3° | 120.1° |
| C5 | C4 | H4 | H4A | 118.4° | 120.0° |
| C5 | C4 | C3 | C2 | 59.9° | 60.0° |
| C5 | C4 | C3 | H3 | 60.0° | 180.0° |
| C5 | C4 | C3 | H3A | 179.6° | 60.0° |
| C4 | C5 | C6 | C13 | 160.9° | 49.6° |
| C4 | C5 | C6 | C9 | 21.0° | 130.6° |
| C5 | C8 | C1 | H8 | 120.0° | 120.0° |
| C5 | C8 | C1 | H8A | 117.8° | 119.9° |
| C5 | C8 | H8 | H8A | 118.0° | 120.0° |
| C5 | C8 | C1 | C2 | 52.8° | 60.0° |
| C5 | C8 | C1 | H1 | 172.8° | 60.0° |
| C5 | C8 | C1 | H1A | 65.8° | 180.0° |
| C8 | C5 | C4 | C3 | 54.0° | 60.0° |
| C8 | C5 | C4 | H4 | 174.1° | 60.0° |
| C8 | C5 | C4 | H4A | 64.3° | 180.0° |
| C8 | C5 | C6 | C13 | 83.3° | 169.6° |
| C8 | C5 | C6 | C9 | 94.8° | 10.6° |
| C1 | C8 | H8 | H8A | 117.9° | 120.0° |
| C8 | C1 | C2 | H1 | 120.0° | 119.9° |
| C8 | C1 | C2 | H1A | 118.6° | 120.0° |
| C8 | C1 | H1 | H1A | 118.7° | 119.9° |
| C8 | C1 | C2 | C3 | 54.9° | 60.0° |
| C8 | C1 | C2 | H2 | 65.2° | 180.0° |
| C8 | C1 | C2 | H2A | 174.9° | 60.0° |
| H8 | C8 | C1 | C2 | 67.1° | 180.0° |
| H8 | C8 | C1 | H1 | 52.8° | 60.0° |
| H8 | C8 | C1 | H1A | 174.3° | 60.0° |
| H8A | C8 | C1 | C2 | 170.6° | 60.0° |
| H8A | C8 | C1 | H1 | 69.4° | 179.9° |
| H8A | C8 | C1 | H1A | 52.0° | 60.1° |
| C2 | C1 | H1 | H1A | 118.7° | 120.1° |
| C1 | C2 | C3 | C4 | 58.0° | 60.0° |
| C1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H2A | 120.1° | 120.0° |
| C1 | C2 | C3 | H3 | 62.0° | 180.0° |
| C1 | C2 | C3 | H3A | 177.6° | 60.0° |
| C1 | C2 | H2 | H2A | 120.1° | 119.9° |
| H1 | C1 | C2 | C3 | 174.9° | 59.9° |
| H1 | C1 | C2 | H2 | 54.9° | 60.1° |
| H1 | C1 | C2 | H2A | 65.0° | 180.0° |
| H1A | C1 | C2 | C3 | 63.7° | 180.0° |
| H1A | C1 | C2 | H2 | 176.2° | 60.0° |
| H1A | C1 | C2 | H2A | 56.3° | 59.9° |
| C3 | C4 | H4 | H4A | 118.4° | 120.0° |
| C4 | C3 | C2 | H3 | 120.0° | 120.0° |
| C4 | C3 | C2 | H3A | 119.7° | 120.0° |
| C4 | C3 | H3 | H3A | 119.7° | 120.0° |
| C4 | C3 | C2 | H2 | 62.0° | 180.0° |
| C4 | C3 | C2 | H2A | 178.0° | 60.0° |
| H4 | C4 | C3 | C2 | 180.0° | 60.0° |
| H4 | C4 | C3 | H3 | 60.0° | 60.0° |
| H4 | C4 | C3 | H3A | 60.3° | 179.9° |
| H4A | C4 | C3 | C2 | 58.4° | 180.0° |
| H4A | C4 | C3 | H3 | 178.4° | 59.9° |
| H4A | C4 | C3 | H3A | 61.3° | 60.1° |
| C2 | C3 | H3 | H3A | 119.7° | 120.0° |
| C3 | C2 | H2 | H2A | 120.1° | 120.1° |
| H3 | C3 | C2 | H2 | 178.0° | 60.0° |
| H3 | C3 | C2 | H2A | 58.0° | 60.0° |
| H3A | C3 | C2 | H2 | 57.6° | 60.0° |
| H3A | C3 | C2 | H2A | 62.3° | 180.0° |
| C6 | C13 | C12 | H13 | 180.0° | 180.0° |
| C6 | C13 | C12 | C11 | 0.5° | 0.0° |
| C6 | C13 | C12 | H12 | 179.5° | 179.9° |
| C13 | C6 | C9 | C10 | 0.3° | 0.5° |
| C13 | C6 | C9 | H9 | 179.8° | 179.7° |
| C9 | C6 | C13 | C12 | 0.6° | 0.2° |
| C9 | C6 | C13 | H13 | 179.4° | 179.8° |
| C6 | C9 | C10 | C11 | 0.3° | 0.5° |
| C6 | C9 | C10 | H9 | 180.0° | 179.8° |
| C6 | C9 | C10 | H10 | 179.7° | 179.8° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C13 | C12 | C11 | O1 | 179.5° | 179.9° |
| C13 | C12 | C11 | C10 | 0.1° | 0.0° |
| H13 | C13 | C12 | C11 | 179.5° | 180.0° |
| H13 | C13 | C12 | H12 | 0.5° | 0.0° |
| C12 | C11 | O1 | C10 | 179.4° | 180.0° |
| C12 | C11 | O1 | HO1 | 48.1° | 90.0° |
| C12 | C11 | C10 | C9 | 0.4° | 0.3° |
| C12 | C11 | C10 | H10 | 179.5° | 180.0° |
| H12 | C12 | C11 | O1 | 0.5° | 0.1° |
| H12 | C12 | C11 | C10 | 179.9° | 179.9° |
| O1 | C11 | C10 | C9 | 179.9° | 179.7° |
| O1 | C11 | C10 | H10 | 0.1° | 0.0° |
| C10 | C11 | O1 | HO1 | 132.4° | 89.9° |
| C11 | C10 | C9 | H10 | 180.0° | 179.7° |
| C11 | C10 | C9 | H9 | 179.7° | 179.7° |
| H10 | C10 | C9 | H9 | 0.3° | 0.0° |
