PZ5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C28 | trip | 1.17Å | 1.28Å | |
| C28 | C27 | sing | 1.47Å | 1.48Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C25 | C21 | sing | 1.53Å | 1.54Å | |
| C10 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C8 | doub | 1.40Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| C20 | N2 | sing | 1.47Å | 1.49Å | |
| C8 | C7 | sing | 1.48Å | 1.51Å | |
| C7 | N2 | doub | 1.31Å | 1.45Å | Aromatic |
| C7 | C14 | sing | 1.47Å | 1.51Å | Aromatic |
| N2 | C6 | sing | 1.34Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C4 | sing | 1.42Å | 1.51Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C16 | sing | 1.41Å | 1.50Å | Aromatic |
| C15 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| N1 | C1 | sing | 1.40Å | 1.35Å | |
| C1 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | C16 | sing | 1.47Å | 1.49Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.41Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | N3 | sing | 1.40Å | 1.35Å | |
| C19 | C18 | doub | 1.40Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.36Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.37Å | 1.40Å | Aromatic |
| C29 | H1 | sing | 1.05Å | 1.06Å | |
| C27 | H2 | sing | 1.09Å | 1.10Å | |
| C27 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C25 | H6 | sing | 1.09Å | 1.10Å | |
| C25 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C10 | H15 | sing | 1.08Å | 1.08Å | |
| C9 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| N3 | H19 | sing | 0.97Å | 1.00Å | |
| N3 | H20 | sing | 0.97Å | 1.00Å | |
| C15 | H21 | sing | 1.08Å | 1.08Å | |
| C3 | H22 | sing | 1.08Å | 1.08Å | |
| C2 | H23 | sing | 1.08Å | 1.08Å | |
| N1 | H24 | sing | 0.97Å | 1.00Å | |
| N1 | H25 | sing | 0.97Å | 1.00Å | |
| C5 | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C28 | C27 | 179.0° | 180.0° |
| C28 | C29 | H1 | 180.0° | 180.0° |
| C28 | C27 | C26 | 112.5° | 109.5° |
| C28 | C27 | H2 | 108.7° | 109.5° |
| C28 | C27 | H3 | 108.7° | 109.5° |
| C27 | C26 | C25 | 113.6° | 109.5° |
| C26 | C27 | H2 | 108.7° | 109.5° |
| C26 | C27 | H3 | 108.7° | 109.4° |
| C27 | C26 | H4 | 108.4° | 109.5° |
| C27 | C26 | H5 | 108.4° | 109.5° |
| C26 | C25 | C21 | 114.7° | 109.5° |
| C25 | C26 | H4 | 108.4° | 109.5° |
| C25 | C26 | H5 | 108.4° | 109.5° |
| C26 | C25 | H6 | 108.2° | 109.5° |
| C26 | C25 | H7 | 108.1° | 109.5° |
| C12 | C11 | C10 | 119.7° | 120.2° |
| C11 | C12 | C13 | 120.5° | 120.1° |
| C11 | C12 | H13 | 119.7° | 119.9° |
| C12 | C11 | H14 | 120.2° | 119.9° |
| C11 | C10 | C9 | 119.6° | 120.2° |
| C10 | C11 | H14 | 120.1° | 119.9° |
| C11 | C10 | H15 | 120.2° | 119.9° |
| C12 | C13 | C8 | 120.4° | 119.9° |
| C12 | C13 | H12 | 119.8° | 120.1° |
| C13 | C12 | H13 | 119.7° | 120.0° |
| C25 | C21 | C20 | 113.5° | 109.5° |
| C21 | C25 | H6 | 108.2° | 109.5° |
| C21 | C25 | H7 | 108.2° | 109.4° |
| C25 | C21 | H8 | 108.5° | 109.5° |
| C25 | C21 | H9 | 108.4° | 109.4° |
| C10 | C9 | C8 | 121.2° | 119.9° |
| C9 | C10 | H15 | 120.2° | 119.9° |
| C10 | C9 | H16 | 119.4° | 120.1° |
| C13 | C8 | C9 | 118.6° | 119.7° |
| C13 | C8 | C7 | 121.4° | 120.2° |
| C8 | C13 | H12 | 119.8° | 120.0° |
| C21 | C20 | N2 | 115.3° | 109.5° |
| C20 | C21 | H8 | 108.5° | 109.5° |
| C20 | C21 | H9 | 108.5° | 109.5° |
| C21 | C20 | H10 | 108.0° | 109.4° |
| C21 | C20 | H11 | 108.0° | 109.5° |
| C9 | C8 | C7 | 120.1° | 120.2° |
| C8 | C9 | H16 | 119.4° | 120.0° |
| C20 | N2 | C7 | 119.6° | 118.3° |
| C20 | N2 | C6 | 118.6° | 118.3° |
| N2 | C20 | H10 | 108.0° | 109.5° |
| N2 | C20 | H11 | 108.0° | 109.5° |
| C8 | C7 | N2 | 122.3° | 119.7° |
| C8 | C7 | C14 | 118.1° | 119.6° |
| N2 | C7 | C14 | 119.5° | 120.7° |
| C7 | N2 | C6 | 121.2° | 123.4° |
| C7 | C14 | C15 | 122.4° | 122.0° |
| C7 | C14 | C16 | 119.7° | 118.5° |
| N2 | C6 | C5 | 121.0° | 120.2° |
| N2 | C6 | C4 | 123.3° | 121.0° |
| C6 | C5 | C1 | 121.8° | 119.9° |
| C5 | C6 | C4 | 115.7° | 118.8° |
| C6 | C5 | H26 | 119.1° | 120.0° |
| C5 | C1 | N1 | 117.0° | 119.7° |
| C5 | C1 | C2 | 121.7° | 120.6° |
| C1 | C5 | H26 | 119.1° | 120.1° |
| C6 | C4 | C16 | 118.1° | 118.7° |
| C6 | C4 | C3 | 120.6° | 120.1° |
| C15 | C14 | C16 | 117.9° | 119.5° |
| C14 | C15 | C19 | 120.2° | 119.4° |
| C14 | C15 | H21 | 119.9° | 120.3° |
| C14 | C16 | C4 | 118.1° | 117.7° |
| C14 | C16 | C17 | 120.1° | 120.0° |
| C15 | C19 | N3 | 119.9° | 119.7° |
| C15 | C19 | C18 | 121.2° | 120.6° |
| C19 | C15 | H21 | 119.9° | 120.3° |
| N1 | C1 | C2 | 121.3° | 119.7° |
| C1 | N1 | H24 | 109.5° | 120.0° |
| C1 | N1 | H25 | 109.5° | 120.0° |
| C1 | C2 | C3 | 119.9° | 120.5° |
| C1 | C2 | H23 | 120.1° | 119.7° |
| C16 | C4 | C3 | 121.3° | 121.2° |
| C4 | C16 | C17 | 121.8° | 122.3° |
| C4 | C3 | C2 | 120.1° | 120.0° |
| C4 | C3 | H22 | 120.0° | 120.0° |
| C16 | C17 | C18 | 119.3° | 119.7° |
| C16 | C17 | H17 | 120.3° | 120.2° |
| N3 | C19 | C18 | 118.8° | 119.7° |
| C19 | N3 | H19 | 109.5° | 120.0° |
| C19 | N3 | H20 | 109.5° | 120.0° |
| C19 | C18 | C17 | 121.4° | 120.8° |
| C19 | C18 | H18 | 119.3° | 119.7° |
| C2 | C3 | H22 | 119.9° | 120.0° |
| C3 | C2 | H23 | 120.1° | 119.7° |
| C18 | C17 | H17 | 120.4° | 120.1° |
| C17 | C18 | H18 | 119.3° | 119.6° |
| H2 | C27 | H3 | 109.5° | 109.4° |
| H4 | C26 | H5 | 109.5° | 109.5° |
| H6 | C25 | H7 | 109.4° | 109.4° |
| H8 | C21 | H9 | 109.5° | 109.5° |
| H10 | C20 | H11 | 109.5° | 109.5° |
| H19 | N3 | H20 | 109.4° | 120.0° |
| H24 | N1 | H25 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C28 | C27 | C26 | 136.0° | 97.1° |
| C29 | C28 | C27 | H2 | 15.5° | 22.9° |
| C29 | C28 | C27 | H3 | 103.6° | 142.9° |
| C28 | C27 | C26 | H2 | 120.5° | 120.0° |
| C28 | C27 | C26 | H3 | 120.4° | 120.0° |
| C28 | C27 | C26 | C25 | 176.4° | 180.0° |
| C27 | C28 | C29 | H1 | 32.9° | 165.2° |
| C28 | C27 | H2 | H3 | 118.6° | 120.0° |
| C28 | C27 | C26 | H4 | 63.0° | 60.0° |
| C28 | C27 | C26 | H5 | 55.9° | 60.0° |
| C27 | C26 | C25 | H4 | 120.6° | 120.0° |
| C27 | C26 | C25 | H5 | 120.6° | 120.0° |
| C27 | C26 | C25 | C21 | 73.6° | 180.0° |
| C26 | C27 | H2 | H3 | 118.6° | 120.0° |
| C27 | C26 | H4 | H5 | 118.1° | 120.0° |
| C27 | C26 | C25 | H6 | 165.6° | 60.0° |
| C27 | C26 | C25 | H7 | 47.1° | 60.0° |
| C26 | C25 | C21 | H6 | 120.8° | 120.0° |
| C26 | C25 | C21 | H7 | 120.8° | 120.0° |
| C26 | C25 | C21 | C20 | 87.3° | 180.0° |
| C25 | C26 | C27 | H2 | 56.0° | 60.0° |
| C25 | C26 | C27 | H3 | 63.1° | 60.0° |
| C25 | C26 | H4 | H5 | 118.1° | 120.0° |
| C26 | C25 | H6 | H7 | 117.6° | 120.0° |
| C26 | C25 | C21 | H8 | 152.1° | 60.0° |
| C26 | C25 | C21 | H9 | 33.3° | 60.0° |
| C12 | C11 | C10 | H14 | 180.0° | 180.0° |
| C11 | C12 | C13 | H13 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 0.2° | 0.3° |
| C11 | C12 | C13 | C8 | 0.6° | 0.0° |
| C11 | C12 | C13 | H12 | 179.4° | 180.0° |
| C12 | C11 | C10 | H15 | 179.9° | 180.0° |
| C10 | C11 | C12 | C13 | 0.3° | 0.0° |
| C11 | C10 | C9 | H15 | 180.0° | 179.7° |
| C11 | C10 | C9 | C8 | 0.3° | 0.6° |
| C10 | C11 | C12 | H13 | 179.7° | 180.0° |
| C11 | C10 | C9 | H16 | 179.7° | 180.0° |
| C12 | C13 | C8 | H12 | 180.0° | 179.9° |
| C12 | C13 | C8 | C9 | 0.7° | 0.3° |
| C12 | C13 | C8 | C7 | 179.0° | 180.0° |
| C13 | C12 | C11 | H14 | 179.7° | 180.0° |
| C25 | C21 | C20 | H8 | 120.6° | 120.0° |
| C25 | C21 | C20 | H9 | 120.6° | 119.9° |
| C25 | C21 | C20 | N2 | 164.8° | 180.0° |
| C21 | C25 | C26 | H4 | 47.0° | 60.0° |
| C21 | C25 | C26 | H5 | 165.8° | 60.0° |
| C21 | C25 | H6 | H7 | 117.6° | 120.0° |
| C25 | C21 | H8 | H9 | 118.2° | 120.0° |
| C25 | C21 | C20 | H10 | 43.9° | 60.0° |
| C25 | C21 | C20 | H11 | 74.4° | 60.0° |
| C10 | C9 | C8 | C13 | 0.5° | 0.6° |
| C10 | C9 | C8 | H16 | 180.0° | 179.4° |
| C10 | C9 | C8 | C7 | 178.9° | 179.7° |
| C9 | C10 | C11 | H14 | 179.8° | 179.7° |
| C13 | C8 | C9 | C7 | 178.3° | 179.7° |
| C13 | C8 | C7 | N2 | 92.4° | 59.6° |
| C13 | C8 | C7 | C14 | 90.9° | 120.3° |
| C8 | C13 | C12 | H13 | 179.4° | 180.0° |
| C13 | C8 | C9 | H16 | 179.4° | 180.0° |
| C21 | C20 | N2 | H10 | 120.8° | 120.0° |
| C21 | C20 | N2 | H11 | 120.8° | 120.0° |
| C21 | C20 | N2 | C7 | 91.9° | 95.2° |
| C21 | C20 | N2 | C6 | 97.2° | 85.0° |
| C20 | C21 | C25 | H6 | 33.5° | 60.0° |
| C20 | C21 | C25 | H7 | 151.9° | 60.0° |
| C20 | C21 | H8 | H9 | 118.2° | 120.0° |
| C21 | C20 | H10 | H11 | 117.3° | 120.0° |
| C9 | C8 | C7 | N2 | 89.4° | 120.7° |
| C9 | C8 | C7 | C14 | 87.4° | 59.4° |
| C9 | C8 | C13 | H12 | 179.3° | 179.8° |
| C8 | C9 | C10 | H15 | 179.7° | 179.7° |
| C20 | N2 | C7 | C8 | 8.4° | 0.0° |
| C20 | N2 | C7 | C6 | 170.7° | 179.7° |
| C20 | N2 | C7 | C14 | 174.9° | 180.0° |
| C20 | N2 | C6 | C5 | 6.2° | 0.1° |
| C20 | N2 | C6 | C4 | 174.1° | 179.8° |
| N2 | C20 | C21 | H8 | 74.6° | 60.0° |
| N2 | C20 | C21 | H9 | 44.2° | 60.0° |
| N2 | C20 | H10 | H11 | 117.3° | 120.0° |
| C8 | C7 | N2 | C14 | 176.7° | 180.0° |
| C8 | C7 | N2 | C6 | 179.1° | 179.7° |
| C8 | C7 | C14 | C15 | 1.6° | 0.1° |
| C8 | C7 | C14 | C16 | 179.1° | 180.0° |
| C7 | C8 | C13 | H12 | 1.0° | 0.0° |
| C7 | C8 | C9 | H16 | 1.1° | 0.3° |
| C7 | N2 | C6 | C5 | 177.0° | 179.8° |
| C7 | N2 | C6 | C4 | 3.4° | 0.5° |
| N2 | C7 | C14 | C15 | 175.2° | 179.9° |
| N2 | C7 | C14 | C16 | 2.2° | 0.0° |
| C7 | N2 | C20 | H10 | 29.0° | 24.7° |
| C7 | N2 | C20 | H11 | 147.3° | 144.8° |
| C14 | C7 | N2 | C6 | 4.2° | 0.2° |
| C7 | C14 | C15 | C16 | 177.5° | 179.9° |
| C7 | C14 | C15 | C19 | 177.8° | 180.0° |
| C7 | C14 | C16 | C4 | 0.5° | 0.0° |
| C7 | C14 | C16 | C17 | 177.7° | 179.9° |
| C7 | C14 | C15 | H21 | 2.3° | 0.1° |
| N2 | C6 | C5 | C4 | 179.7° | 179.7° |
| N2 | C6 | C5 | C1 | 175.4° | 179.2° |
| N2 | C6 | C4 | C16 | 0.5° | 0.5° |
| N2 | C6 | C4 | C3 | 176.8° | 179.7° |
| C6 | N2 | C20 | H10 | 141.9° | 155.0° |
| C6 | N2 | C20 | H11 | 23.6° | 35.0° |
| N2 | C6 | C5 | H26 | 4.6° | 0.1° |
| C6 | C5 | C1 | H26 | 180.0° | 179.4° |
| C6 | C5 | C1 | N1 | 174.7° | 179.7° |
| C6 | C5 | C1 | C2 | 4.6° | 0.7° |
| C5 | C6 | C4 | C16 | 179.8° | 179.8° |
| C5 | C6 | C4 | C3 | 2.8° | 0.1° |
| C1 | C5 | C6 | C4 | 4.2° | 0.4° |
| C5 | C1 | N1 | C2 | 179.3° | 179.6° |
| C5 | C1 | C2 | C3 | 3.1° | 0.5° |
| C5 | C1 | C2 | H23 | 176.9° | 179.5° |
| C5 | C1 | N1 | H24 | 180.0° | 179.5° |
| C5 | C1 | N1 | H25 | 60.0° | 0.5° |
| C6 | C4 | C16 | C14 | 1.4° | 0.3° |
| C6 | C4 | C16 | C3 | 177.3° | 179.7° |
| C6 | C4 | C16 | C17 | 176.7° | 179.8° |
| C6 | C4 | C3 | C2 | 1.6° | 0.3° |
| C6 | C4 | C3 | H22 | 178.4° | 179.7° |
| C4 | C6 | C5 | H26 | 175.8° | 179.8° |
| C14 | C15 | C19 | H21 | 180.0° | 179.8° |
| C15 | C14 | C16 | C4 | 178.1° | 179.9° |
| C15 | C14 | C16 | C17 | 0.1° | 0.0° |
| C14 | C15 | C19 | N3 | 176.0° | 179.9° |
| C14 | C15 | C19 | C18 | 0.6° | 0.1° |
| C16 | C14 | C15 | C19 | 0.2° | 0.1° |
| C14 | C16 | C4 | C17 | 178.1° | 179.9° |
| C14 | C16 | C4 | C3 | 178.7° | 180.0° |
| C14 | C16 | C17 | C18 | 0.3° | 0.0° |
| C14 | C16 | C17 | H17 | 179.7° | 180.0° |
| C16 | C14 | C15 | H21 | 179.8° | 179.9° |
| C15 | C19 | N3 | C18 | 176.7° | 180.0° |
| C15 | C19 | C18 | C17 | 0.9° | 0.1° |
| C15 | C19 | C18 | H18 | 179.1° | 179.9° |
| C15 | C19 | N3 | H19 | 180.0° | 179.9° |
| C15 | C19 | N3 | H20 | 60.0° | 0.0° |
| N1 | C1 | C2 | C3 | 176.1° | 179.9° |
| N1 | C1 | C2 | H23 | 3.9° | 0.0° |
| C1 | N1 | H24 | H25 | 120.0° | 180.0° |
| N1 | C1 | C5 | H26 | 5.3° | 0.4° |
| C1 | C2 | C3 | C4 | 1.7° | 0.0° |
| C1 | C2 | C3 | H23 | 180.0° | 180.0° |
| C1 | C2 | C3 | H22 | 178.3° | 180.0° |
| C2 | C1 | N1 | H24 | 0.7° | 0.0° |
| C2 | C1 | N1 | H25 | 120.7° | 180.0° |
| C2 | C1 | C5 | H26 | 175.4° | 179.9° |
| C16 | C4 | C3 | C2 | 178.9° | 180.0° |
| C4 | C16 | C17 | C18 | 177.8° | 180.0° |
| C4 | C16 | C17 | H17 | 2.2° | 0.1° |
| C16 | C4 | C3 | H22 | 1.1° | 0.0° |
| C3 | C4 | C16 | C17 | 0.6° | 0.1° |
| C4 | C3 | C2 | H22 | 180.0° | 180.0° |
| C4 | C3 | C2 | H23 | 178.3° | 180.0° |
| C16 | C17 | C18 | C19 | 0.7° | 0.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | H18 | 179.3° | 180.0° |
| N3 | C19 | C18 | C17 | 175.7° | 180.0° |
| N3 | C19 | C18 | H18 | 4.3° | 0.0° |
| C19 | N3 | H19 | H20 | 120.0° | 179.9° |
| N3 | C19 | C15 | H21 | 4.0° | 0.1° |
| C19 | C18 | C17 | H18 | 180.0° | 180.0° |
| C19 | C18 | C17 | H17 | 179.3° | 180.0° |
| C18 | C19 | N3 | H19 | 3.4° | 0.0° |
| C18 | C19 | N3 | H20 | 123.3° | 180.0° |
| C18 | C19 | C15 | H21 | 179.4° | 179.9° |
| H2 | C27 | C26 | H4 | 176.6° | 180.0° |
| H2 | C27 | C26 | H5 | 64.6° | 60.0° |
| H3 | C27 | C26 | H4 | 57.5° | 60.0° |
| H3 | C27 | C26 | H5 | 176.3° | 180.0° |
| H4 | C26 | C25 | H6 | 73.8° | 180.0° |
| H4 | C26 | C25 | H7 | 167.8° | 60.0° |
| H5 | C26 | C25 | H6 | 45.0° | 60.0° |
| H5 | C26 | C25 | H7 | 73.5° | 180.0° |
| H6 | C25 | C21 | H8 | 87.1° | 180.0° |
| H6 | C25 | C21 | H9 | 154.1° | 60.0° |
| H7 | C25 | C21 | H8 | 31.4° | 60.0° |
| H7 | C25 | C21 | H9 | 87.5° | 180.0° |
| H8 | C21 | C20 | H10 | 164.5° | 180.0° |
| H8 | C21 | C20 | H11 | 46.2° | 60.0° |
| H9 | C21 | C20 | H10 | 76.6° | 59.9° |
| H9 | C21 | C20 | H11 | 165.0° | 180.0° |
| H12 | C13 | C12 | H13 | 0.6° | 0.0° |
| H13 | C12 | C11 | H14 | 0.3° | 0.0° |
| H14 | C11 | C10 | H15 | 0.1° | 0.0° |
| H15 | C10 | C9 | H16 | 0.3° | 0.3° |
| H17 | C17 | C18 | H18 | 0.7° | 0.0° |
| H22 | C3 | C2 | H23 | 1.7° | 0.0° |
