PZ4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F9 | C8 | sing | 1.35Å | 1.35Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | N6 | sing | 1.33Å | 1.33Å | Aromatic |
| C8 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| N6 | C5 | doub | 1.33Å | 1.34Å | Aromatic |
| C3 | N2 | sing | 1.39Å | 1.38Å | |
| C3 | N4 | doub | 1.33Å | 1.37Å | Aromatic |
| N2 | C1 | sing | 1.46Å | 1.47Å | |
| C5 | N4 | sing | 1.33Å | 1.37Å | Aromatic |
| C5 | C10 | sing | 1.48Å | 1.47Å | |
| C11 | C10 | doub | 1.36Å | 1.40Å | Aromatic |
| C11 | N12 | sing | 1.36Å | 1.31Å | Aromatic |
| C10 | C18 | sing | 1.47Å | 1.48Å | Aromatic |
| N12 | C13 | sing | 1.37Å | 1.33Å | Aromatic |
| C18 | C13 | doub | 1.41Å | 1.43Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | N14 | sing | 1.33Å | 1.34Å | Aromatic |
| C17 | N16 | doub | 1.32Å | 1.33Å | Aromatic |
| N14 | C15 | doub | 1.32Å | 1.32Å | Aromatic |
| N16 | C15 | sing | 1.32Å | 1.32Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| N12 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F9 | C8 | C7 | 120.2° | 120.8° |
| F9 | C8 | C3 | 120.6° | 120.8° |
| C8 | C7 | N6 | 120.2° | 119.3° |
| C7 | C8 | C3 | 119.2° | 118.5° |
| C8 | C7 | H4 | 119.9° | 120.4° |
| C7 | N6 | C5 | 121.5° | 120.9° |
| N6 | C7 | H4 | 119.9° | 120.3° |
| C8 | C3 | N2 | 120.9° | 120.5° |
| C8 | C3 | N4 | 118.1° | 119.1° |
| N6 | C5 | N4 | 120.2° | 121.6° |
| N6 | C5 | C10 | 118.7° | 119.2° |
| N2 | C3 | N4 | 121.0° | 120.5° |
| C3 | N2 | C1 | 121.7° | 120.0° |
| C3 | N2 | H8 | 106.3° | 120.0° |
| C3 | N4 | C5 | 120.8° | 120.6° |
| N2 | C1 | H1 | 109.5° | 109.5° |
| N2 | C1 | H2 | 109.5° | 109.5° |
| N2 | C1 | H3 | 109.5° | 109.5° |
| C1 | N2 | H8 | 106.3° | 120.0° |
| N4 | C5 | C10 | 121.2° | 119.2° |
| C5 | C10 | C11 | 124.7° | 126.8° |
| C5 | C10 | C18 | 130.4° | 126.8° |
| C10 | C11 | N12 | 109.8° | 109.7° |
| C11 | C10 | C18 | 104.9° | 106.5° |
| C10 | C11 | H5 | 125.1° | 125.1° |
| C11 | N12 | C13 | 112.7° | 110.4° |
| N12 | C11 | H5 | 125.1° | 125.1° |
| C11 | N12 | H9 | 123.7° | 124.7° |
| C10 | C18 | C13 | 104.6° | 106.1° |
| C10 | C18 | C17 | 138.0° | 135.1° |
| N12 | C13 | C18 | 108.1° | 107.3° |
| N12 | C13 | N14 | 133.1° | 134.3° |
| C13 | N12 | H9 | 123.6° | 124.8° |
| C13 | C18 | C17 | 117.4° | 118.8° |
| C18 | C13 | N14 | 118.9° | 118.4° |
| C18 | C17 | N16 | 119.2° | 118.5° |
| C18 | C17 | H7 | 120.4° | 120.7° |
| C13 | N14 | C15 | 120.8° | 120.6° |
| C17 | N16 | C15 | 121.5° | 121.1° |
| N16 | C17 | H7 | 120.4° | 120.8° |
| N14 | C15 | N16 | 122.3° | 122.6° |
| N14 | C15 | H6 | 118.8° | 118.7° |
| N16 | C15 | H6 | 118.9° | 118.7° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F9 | C8 | C7 | C3 | 179.5° | 180.0° |
| F9 | C8 | C7 | N6 | 180.0° | 180.0° |
| F9 | C8 | C3 | N2 | 0.6° | 0.0° |
| F9 | C8 | C3 | N4 | 179.5° | 179.7° |
| F9 | C8 | C7 | H4 | 0.0° | 0.0° |
| C8 | C7 | N6 | H4 | 180.0° | 180.0° |
| C8 | C7 | N6 | C5 | 0.7° | 0.3° |
| C7 | C8 | C3 | N2 | 180.0° | 180.0° |
| C7 | C8 | C3 | N4 | 0.0° | 0.3° |
| N6 | C7 | C8 | C3 | 0.5° | 0.0° |
| C7 | N6 | C5 | N4 | 0.4° | 0.3° |
| C7 | N6 | C5 | C10 | 179.4° | 179.8° |
| C8 | C3 | N2 | N4 | 180.0° | 179.7° |
| C8 | C3 | N2 | C1 | 151.9° | 179.7° |
| C8 | C3 | N4 | C5 | 0.3° | 0.3° |
| C3 | C8 | C7 | H4 | 179.5° | 180.0° |
| C8 | C3 | N2 | H8 | 86.4° | 0.3° |
| N6 | C5 | N4 | C3 | 0.1° | 0.1° |
| N6 | C5 | N4 | C10 | 179.8° | 180.0° |
| N6 | C5 | C10 | C11 | 0.1° | 180.0° |
| N6 | C5 | C10 | C18 | 178.9° | 0.0° |
| C5 | N6 | C7 | H4 | 179.3° | 179.7° |
| C3 | N2 | C1 | H8 | 121.7° | 180.0° |
| N2 | C3 | N4 | C5 | 179.7° | 180.0° |
| C3 | N2 | C1 | H1 | 180.0° | 60.0° |
| C3 | N2 | C1 | H2 | 60.0° | 180.0° |
| C3 | N2 | C1 | H3 | 60.0° | 60.0° |
| N4 | C3 | N2 | C1 | 28.1° | 0.1° |
| C3 | N4 | C5 | C10 | 179.9° | 179.9° |
| N4 | C3 | N2 | H8 | 93.5° | 180.0° |
| N2 | C1 | H1 | H2 | 120.0° | 120.1° |
| N2 | C1 | H1 | H3 | 120.0° | 120.0° |
| N2 | C1 | H2 | H3 | 120.0° | 120.0° |
| N4 | C5 | C10 | C11 | 179.9° | 0.0° |
| N4 | C5 | C10 | C18 | 0.9° | 180.0° |
| C5 | C10 | C11 | C18 | 179.3° | 180.0° |
| C5 | C10 | C11 | N12 | 179.6° | 180.0° |
| C5 | C10 | C18 | C13 | 179.4° | 180.0° |
| C5 | C10 | C18 | C17 | 0.3° | 0.1° |
| C5 | C10 | C11 | H5 | 0.4° | 0.3° |
| C10 | C11 | N12 | H5 | 180.0° | 179.8° |
| C10 | C11 | N12 | C13 | 0.4° | 0.0° |
| C11 | C10 | C18 | C13 | 0.2° | 0.0° |
| C11 | C10 | C18 | C17 | 179.5° | 180.0° |
| C10 | C11 | N12 | H9 | 179.6° | 180.0° |
| N12 | C11 | C10 | C18 | 0.4° | 0.0° |
| C11 | N12 | C13 | H9 | 180.0° | 180.0° |
| C11 | N12 | C13 | C18 | 0.3° | 0.0° |
| C11 | N12 | C13 | N14 | 179.7° | 180.0° |
| C10 | C18 | C13 | N12 | 0.1° | 0.0° |
| C10 | C18 | C13 | C17 | 179.8° | 180.0° |
| C10 | C18 | C13 | N14 | 179.9° | 180.0° |
| C10 | C18 | C17 | N16 | 179.7° | 179.9° |
| C18 | C10 | C11 | H5 | 179.7° | 179.8° |
| C10 | C18 | C17 | H7 | 0.3° | 0.0° |
| N12 | C13 | C18 | N14 | 180.0° | 180.0° |
| N12 | C13 | C18 | C17 | 179.8° | 180.0° |
| N12 | C13 | N14 | C15 | 179.7° | 180.0° |
| C13 | N12 | C11 | H5 | 179.6° | 179.8° |
| C13 | C18 | C17 | N16 | 0.0° | 0.1° |
| C18 | C13 | N14 | C15 | 0.4° | 0.0° |
| C13 | C18 | C17 | H7 | 180.0° | 180.0° |
| C18 | C13 | N12 | H9 | 179.7° | 180.0° |
| C17 | C18 | C13 | N14 | 0.2° | 0.1° |
| C18 | C17 | N16 | H7 | 180.0° | 179.9° |
| C18 | C17 | N16 | C15 | 0.0° | 0.1° |
| C13 | N14 | C15 | N16 | 0.4° | 0.0° |
| C13 | N14 | C15 | H6 | 179.6° | 180.0° |
| N14 | C13 | N12 | H9 | 0.3° | 0.1° |
| C17 | N16 | C15 | N14 | 0.2° | 0.0° |
| C17 | N16 | C15 | H6 | 179.8° | 180.0° |
| N14 | C15 | N16 | H6 | 180.0° | 180.0° |
| C15 | N16 | C17 | H7 | 180.0° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | N2 | H8 | 58.4° | 120.0° |
| H2 | C1 | N2 | H8 | 178.3° | 0.0° |
| H3 | C1 | N2 | H8 | 61.7° | 120.0° |
| H5 | C11 | N12 | H9 | 0.4° | 0.2° |
