PZL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N19 | C16 | trip | 1.14Å | 1.16Å | |
| C16 | C13 | sing | 1.43Å | 1.27Å | |
| C13 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | CL15 | sing | 1.74Å | 1.78Å | |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | O8 | sing | 1.36Å | 1.38Å | |
| O8 | C3 | sing | 1.36Å | 1.36Å | |
| C3 | C4 | doub | 1.39Å | 1.35Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | BR17 | sing | 1.89Å | 1.87Å | |
| C4 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | F5 | sing | 1.35Å | 1.33Å | |
| C2 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C18 | sing | 1.51Å | 1.51Å | |
| C7 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C26 | sing | 1.51Å | 1.52Å | |
| C26 | N27 | doub | 1.30Å | 1.35Å | Aromatic |
| C26 | C25 | sing | 1.46Å | 1.38Å | Aromatic |
| N27 | N28 | sing | 1.40Å | 1.41Å | Aromatic |
| N28 | C24 | sing | 1.37Å | 1.33Å | Aromatic |
| C24 | N20 | doub | 1.33Å | 1.36Å | Aromatic |
| C24 | C25 | sing | 1.41Å | 1.37Å | Aromatic |
| N20 | N21 | sing | 1.28Å | 1.42Å | Aromatic |
| C25 | C23 | doub | 1.40Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.37Å | 1.40Å | Aromatic |
| C22 | N21 | doub | 1.32Å | 1.35Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| N28 | HN28 | sing | 0.97Å | 1.00Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N19 | C16 | C13 | 171.2° | 180.0° |
| C16 | C13 | C12 | 117.3° | 120.1° |
| C16 | C13 | C14 | 122.7° | 120.1° |
| C12 | C13 | C14 | 120.0° | 119.8° |
| C13 | C12 | C11 | 119.6° | 119.9° |
| C13 | C12 | H12 | 120.2° | 120.1° |
| C13 | C14 | C9 | 119.4° | 119.8° |
| C13 | C14 | H14 | 120.3° | 120.1° |
| C12 | C11 | CL15 | 120.5° | 119.9° |
| C12 | C11 | C10 | 121.0° | 120.2° |
| C11 | C12 | H12 | 120.2° | 120.0° |
| CL15 | C11 | C10 | 118.5° | 120.0° |
| C11 | C10 | C9 | 119.7° | 120.3° |
| C11 | C10 | H10 | 120.1° | 119.9° |
| C10 | C9 | C14 | 120.3° | 120.0° |
| C10 | C9 | O8 | 118.1° | 120.0° |
| C9 | C10 | H10 | 120.1° | 119.9° |
| C14 | C9 | O8 | 121.5° | 120.0° |
| C9 | C14 | H14 | 120.3° | 120.1° |
| C9 | O8 | C3 | 123.6° | 117.9° |
| O8 | C3 | C4 | 115.8° | 120.1° |
| O8 | C3 | C2 | 123.3° | 120.0° |
| C4 | C3 | C2 | 120.9° | 119.9° |
| C3 | C4 | BR17 | 114.2° | 120.0° |
| C3 | C4 | C1 | 121.3° | 120.0° |
| C3 | C2 | F5 | 117.7° | 120.1° |
| C3 | C2 | C6 | 119.2° | 119.9° |
| BR17 | C4 | C1 | 124.5° | 120.0° |
| C4 | C1 | C7 | 118.4° | 120.1° |
| C4 | C1 | H1 | 120.8° | 120.0° |
| F5 | C2 | C6 | 123.1° | 120.1° |
| C2 | C6 | C7 | 119.6° | 120.1° |
| C2 | C6 | C18 | 122.2° | 120.0° |
| C7 | C6 | C18 | 118.1° | 120.0° |
| C6 | C7 | C1 | 120.5° | 120.1° |
| C6 | C7 | H7 | 119.8° | 119.9° |
| C6 | C18 | C26 | 101.4° | 109.4° |
| C6 | C18 | H18 | 112.3° | 109.4° |
| C6 | C18 | H18A | 114.0° | 109.4° |
| C1 | C7 | H7 | 119.7° | 119.9° |
| C7 | C1 | H1 | 120.8° | 119.9° |
| C18 | C26 | N27 | 126.5° | 126.2° |
| C18 | C26 | C25 | 127.0° | 126.1° |
| C26 | C18 | H18 | 112.3° | 109.4° |
| C26 | C18 | H18A | 114.0° | 109.5° |
| N27 | C26 | C25 | 106.4° | 107.7° |
| C26 | N27 | N28 | 109.7° | 110.2° |
| C26 | C25 | C24 | 108.1° | 106.5° |
| C26 | C25 | C23 | 132.2° | 135.3° |
| N27 | N28 | C24 | 105.8° | 109.2° |
| N27 | N28 | HN28 | 127.1° | 125.5° |
| N28 | C24 | N20 | 127.7° | 134.5° |
| N28 | C24 | C25 | 110.0° | 106.5° |
| C24 | N28 | HN28 | 127.1° | 125.3° |
| N20 | C24 | C25 | 122.3° | 119.0° |
| C24 | N20 | N21 | 117.2° | 121.6° |
| C24 | C25 | C23 | 119.8° | 118.2° |
| N20 | N21 | C22 | 121.6° | 123.1° |
| C25 | C23 | C22 | 119.2° | 117.6° |
| C25 | C23 | H23 | 120.4° | 121.2° |
| C23 | C22 | N21 | 119.8° | 120.4° |
| C22 | C23 | H23 | 120.4° | 121.2° |
| C23 | C22 | H22 | 120.1° | 119.8° |
| N21 | C22 | H22 | 120.1° | 119.8° |
| H18 | C18 | H18A | 103.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N19 | C16 | C13 | C12 | 3.3° | 68.3° |
| N19 | C16 | C13 | C14 | 178.7° | 112.0° |
| C16 | C13 | C12 | C14 | 178.0° | 179.7° |
| C16 | C13 | C12 | C11 | 178.4° | 180.0° |
| C16 | C13 | C14 | C9 | 178.4° | 179.7° |
| C16 | C13 | C12 | H12 | 1.6° | 0.1° |
| C16 | C13 | C14 | H14 | 1.6° | 0.0° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C13 | C12 | C11 | CL15 | 178.3° | 180.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.1° |
| C12 | C13 | C14 | C9 | 0.5° | 0.6° |
| C12 | C13 | C14 | H14 | 179.5° | 179.7° |
| C14 | C13 | C12 | C11 | 0.4° | 0.3° |
| C13 | C14 | C9 | C10 | 0.3° | 0.6° |
| C13 | C14 | C9 | H14 | 180.0° | 179.7° |
| C13 | C14 | C9 | O8 | 178.4° | 179.7° |
| C14 | C13 | C12 | H12 | 179.7° | 179.8° |
| C12 | C11 | CL15 | C10 | 178.5° | 179.9° |
| C12 | C11 | C10 | C9 | 0.0° | 0.1° |
| C12 | C11 | C10 | H10 | 180.0° | 180.0° |
| CL15 | C11 | C10 | C9 | 178.5° | 180.0° |
| CL15 | C11 | C12 | H12 | 1.7° | 0.1° |
| CL15 | C11 | C10 | H10 | 1.5° | 0.1° |
| C11 | C10 | C9 | H10 | 180.0° | 179.9° |
| C11 | C10 | C9 | C14 | 0.1° | 0.3° |
| C11 | C10 | C9 | O8 | 178.2° | 179.9° |
| C10 | C11 | C12 | H12 | 179.9° | 180.0° |
| C10 | C9 | C14 | O8 | 178.1° | 179.7° |
| C10 | C9 | O8 | C3 | 52.6° | 0.0° |
| C10 | C9 | C14 | H14 | 179.7° | 179.7° |
| C14 | C9 | O8 | C3 | 129.3° | 179.7° |
| C14 | C9 | C10 | H10 | 179.9° | 179.8° |
| C9 | O8 | C3 | C4 | 126.1° | 90.0° |
| C9 | O8 | C3 | C2 | 54.5° | 90.3° |
| O8 | C9 | C10 | H10 | 1.8° | 0.0° |
| O8 | C9 | C14 | H14 | 1.6° | 0.0° |
| O8 | C3 | C4 | C2 | 179.5° | 179.7° |
| O8 | C3 | C4 | BR17 | 1.0° | 0.0° |
| O8 | C3 | C4 | C1 | 179.9° | 180.0° |
| O8 | C3 | C2 | F5 | 0.5° | 0.1° |
| O8 | C3 | C2 | C6 | 179.3° | 179.9° |
| C3 | C4 | BR17 | C1 | 179.1° | 180.0° |
| C4 | C3 | C2 | F5 | 179.9° | 179.7° |
| C4 | C3 | C2 | C6 | 1.3° | 0.3° |
| C3 | C4 | C1 | C7 | 0.3° | 0.0° |
| C3 | C4 | C1 | H1 | 179.7° | 180.0° |
| C2 | C3 | C4 | BR17 | 179.5° | 179.7° |
| C2 | C3 | C4 | C1 | 0.4° | 0.3° |
| C3 | C2 | F5 | C6 | 178.8° | 180.0° |
| C3 | C2 | C6 | C7 | 2.0° | 0.0° |
| C3 | C2 | C6 | C18 | 177.7° | 180.0° |
| BR17 | C4 | C1 | C7 | 179.3° | 180.0° |
| BR17 | C4 | C1 | H1 | 0.6° | 0.0° |
| C4 | C1 | C7 | C6 | 1.1° | 0.3° |
| C4 | C1 | C7 | H1 | 180.0° | 180.0° |
| C4 | C1 | C7 | H7 | 178.9° | 180.0° |
| F5 | C2 | C6 | C7 | 179.2° | 180.0° |
| F5 | C2 | C6 | C18 | 3.5° | 0.0° |
| C2 | C6 | C7 | C18 | 175.9° | 180.0° |
| C2 | C6 | C7 | C1 | 2.0° | 0.3° |
| C2 | C6 | C18 | C26 | 89.9° | 85.0° |
| C2 | C6 | C7 | H7 | 178.0° | 179.9° |
| C2 | C6 | C18 | H18 | 30.1° | 155.1° |
| C2 | C6 | C18 | H18A | 147.2° | 35.0° |
| C6 | C7 | C1 | H7 | 180.0° | 179.8° |
| C7 | C6 | C18 | C26 | 85.8° | 95.0° |
| C6 | C7 | C1 | H1 | 178.9° | 179.7° |
| C7 | C6 | C18 | H18 | 154.2° | 24.9° |
| C7 | C6 | C18 | H18A | 37.0° | 145.0° |
| C18 | C6 | C7 | C1 | 177.8° | 179.7° |
| C6 | C18 | C26 | H18 | 120.0° | 119.9° |
| C6 | C18 | C26 | H18A | 122.9° | 120.0° |
| C6 | C18 | C26 | N27 | 86.4° | 90.0° |
| C6 | C18 | C26 | C25 | 88.8° | 90.3° |
| C18 | C6 | C7 | H7 | 2.2° | 0.1° |
| C6 | C18 | H18 | H18A | 123.3° | 120.0° |
| C18 | C26 | N27 | C25 | 175.9° | 179.7° |
| C18 | C26 | N27 | N28 | 177.6° | 179.9° |
| C18 | C26 | C25 | C24 | 177.3° | 179.9° |
| C18 | C26 | C25 | C23 | 3.9° | 0.0° |
| C26 | C18 | H18 | H18A | 123.3° | 120.1° |
| C26 | N27 | N28 | C24 | 1.4° | 0.1° |
| N27 | C26 | C25 | C24 | 1.4° | 0.3° |
| N27 | C26 | C25 | C23 | 179.8° | 179.8° |
| N27 | C26 | C18 | H18 | 153.6° | 29.9° |
| N27 | C26 | C18 | H18A | 36.5° | 150.0° |
| C26 | N27 | N28 | HN28 | 178.6° | 179.9° |
| C25 | C26 | N27 | N28 | 1.7° | 0.2° |
| C26 | C25 | C24 | N28 | 0.5° | 0.4° |
| C26 | C25 | C24 | N20 | 179.3° | 179.9° |
| C26 | C25 | C24 | C23 | 179.0° | 179.9° |
| C26 | C25 | C23 | C22 | 178.7° | 180.0° |
| C25 | C26 | C18 | H18 | 31.3° | 149.8° |
| C25 | C26 | C18 | H18A | 148.4° | 29.7° |
| C26 | C25 | C23 | H23 | 1.2° | 0.0° |
| N27 | N28 | C24 | HN28 | 180.0° | 179.9° |
| N27 | N28 | C24 | N20 | 179.7° | 180.0° |
| N27 | N28 | C24 | C25 | 0.5° | 0.3° |
| N28 | C24 | N20 | C25 | 179.7° | 179.7° |
| N28 | C24 | N20 | N21 | 179.6° | 180.0° |
| N28 | C24 | C25 | C23 | 179.5° | 179.7° |
| N20 | C24 | C25 | C23 | 0.3° | 0.0° |
| C24 | N20 | N21 | C22 | 0.3° | 0.9° |
| N20 | C24 | N28 | HN28 | 0.3° | 0.1° |
| C25 | C24 | N20 | N21 | 0.1° | 0.3° |
| C24 | C25 | C23 | C22 | 0.0° | 0.1° |
| C25 | C24 | N28 | HN28 | 179.5° | 179.8° |
| C24 | C25 | C23 | H23 | 180.0° | 179.9° |
| N20 | N21 | C22 | C23 | 0.5° | 1.1° |
| N20 | N21 | C22 | H22 | 179.5° | 179.6° |
| C25 | C23 | C22 | H23 | 180.0° | 180.0° |
| C25 | C23 | C22 | N21 | 0.4° | 0.7° |
| C25 | C23 | C22 | H22 | 179.7° | 180.0° |
| C23 | C22 | N21 | H22 | 180.0° | 179.3° |
| N21 | C22 | C23 | H23 | 179.7° | 179.4° |
| H7 | C7 | C1 | H1 | 1.1° | 0.0° |
| H23 | C23 | C22 | H22 | 0.3° | 0.0° |
