PZ6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C13 | doub | 1.31Å | 1.33Å | Aromatic |
| N2 | C12 | sing | 1.33Å | 1.34Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.42Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.42Å | Aromatic |
| C14 | C19 | sing | 1.42Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.36Å | 1.37Å | Aromatic |
| C11 | C19 | sing | 1.41Å | 1.43Å | Aromatic |
| C11 | N1 | sing | 1.40Å | 1.41Å | |
| C19 | C18 | doub | 1.40Å | 1.42Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| O1 | C10 | doub | 1.21Å | 1.22Å | |
| N1 | C10 | sing | 1.35Å | 1.34Å | |
| C10 | C1 | sing | 1.51Å | 1.54Å | |
| C18 | C17 | sing | 1.36Å | 1.36Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C1 | C | sing | 1.53Å | 1.54Å | |
| C1 | C9 | sing | 1.51Å | 1.52Å | |
| C | N | sing | 1.47Å | 1.46Å | |
| C3 | O | sing | 1.43Å | 1.44Å | |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| O | C4 | sing | 1.36Å | 1.38Å | |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | CL | sing | 1.74Å | 1.74Å | |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| N | H14 | sing | 1.01Å | 1.00Å | |
| N | H15 | sing | 1.01Å | 1.00Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C12 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | N2 | C12 | 117.6° | 122.9° |
| N2 | C13 | C14 | 124.3° | 120.2° |
| N2 | C13 | H5 | 117.9° | 119.9° |
| N2 | C12 | C11 | 124.8° | 121.6° |
| N2 | C12 | H19 | 117.7° | 119.2° |
| C13 | C14 | C15 | 123.3° | 122.0° |
| C13 | C14 | C19 | 117.6° | 118.7° |
| C14 | C13 | H5 | 117.9° | 119.8° |
| C12 | C11 | C19 | 117.7° | 118.4° |
| C12 | C11 | N1 | 124.0° | 120.8° |
| C11 | C12 | H19 | 117.6° | 119.2° |
| C15 | C14 | C19 | 119.1° | 119.3° |
| C14 | C15 | C16 | 120.5° | 119.6° |
| C14 | C15 | H6 | 119.8° | 120.2° |
| C14 | C19 | C11 | 118.0° | 118.2° |
| C14 | C19 | C18 | 118.1° | 119.6° |
| C15 | C16 | C17 | 120.7° | 121.0° |
| C16 | C15 | H6 | 119.8° | 120.2° |
| C15 | C16 | H18 | 119.7° | 119.5° |
| C19 | C11 | N1 | 118.3° | 120.8° |
| C11 | C19 | C18 | 123.8° | 122.2° |
| C11 | N1 | C10 | 125.7° | 120.0° |
| C11 | N1 | H1 | 117.2° | 120.0° |
| C19 | C18 | C17 | 120.9° | 119.5° |
| C19 | C18 | H17 | 119.6° | 120.3° |
| C16 | C17 | C18 | 120.7° | 121.0° |
| C16 | C17 | H7 | 119.7° | 119.5° |
| C17 | C16 | H18 | 119.6° | 119.5° |
| O1 | C10 | N1 | 122.1° | 120.0° |
| O1 | C10 | C1 | 121.0° | 120.0° |
| N1 | C10 | C1 | 116.9° | 120.0° |
| C10 | N1 | H1 | 117.2° | 120.0° |
| C10 | C1 | C2 | 108.2° | 109.5° |
| C10 | C1 | C | 112.3° | 109.5° |
| C10 | C1 | C9 | 109.8° | 109.4° |
| C18 | C17 | H7 | 119.7° | 119.5° |
| C17 | C18 | H17 | 119.5° | 120.3° |
| C1 | C2 | C3 | 111.3° | 108.3° |
| C2 | C1 | C | 107.2° | 109.4° |
| C2 | C1 | C9 | 108.3° | 109.7° |
| C1 | C2 | H10 | 109.0° | 109.8° |
| C1 | C2 | H11 | 109.0° | 109.7° |
| C2 | C3 | O | 110.9° | 108.4° |
| C2 | C3 | H8 | 109.1° | 109.7° |
| C2 | C3 | H9 | 109.1° | 109.7° |
| C3 | C2 | H10 | 109.0° | 109.7° |
| C3 | C2 | H11 | 109.0° | 109.6° |
| C | C1 | C9 | 110.9° | 109.4° |
| C1 | C | N | 115.1° | 109.4° |
| C1 | C | H12 | 108.1° | 109.5° |
| C1 | C | H13 | 108.1° | 109.4° |
| C1 | C9 | C8 | 119.5° | 118.8° |
| C1 | C9 | C4 | 122.1° | 121.4° |
| N | C | H12 | 108.0° | 109.5° |
| N | C | H13 | 108.0° | 109.5° |
| C | N | H14 | 109.5° | 111.0° |
| C | N | H15 | 109.5° | 111.0° |
| C3 | O | C4 | 115.6° | 117.9° |
| O | C3 | H8 | 109.1° | 109.6° |
| O | C3 | H9 | 109.1° | 109.7° |
| C8 | C9 | C4 | 118.4° | 119.8° |
| C9 | C8 | C7 | 119.5° | 120.4° |
| C9 | C8 | H4 | 120.2° | 119.8° |
| C9 | C4 | O | 123.2° | 121.8° |
| C9 | C4 | C5 | 121.4° | 119.7° |
| O | C4 | C5 | 115.3° | 118.5° |
| C8 | C7 | CL | 118.7° | 120.0° |
| C8 | C7 | C6 | 122.0° | 119.9° |
| C7 | C8 | H4 | 120.2° | 119.8° |
| C4 | C5 | C6 | 119.4° | 120.2° |
| C4 | C5 | H2 | 120.3° | 119.9° |
| CL | C7 | C6 | 119.3° | 120.0° |
| C7 | C6 | C5 | 119.3° | 120.0° |
| C7 | C6 | H3 | 120.3° | 120.0° |
| C6 | C5 | H2 | 120.3° | 119.9° |
| C5 | C6 | H3 | 120.4° | 120.0° |
| H8 | C3 | H9 | 109.4° | 109.7° |
| H10 | C2 | H11 | 109.5° | 109.7° |
| H12 | C | H13 | 109.4° | 109.5° |
| H14 | N | H15 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C13 | C14 | H5 | 180.0° | 179.8° |
| C13 | N2 | C12 | C11 | 1.0° | 0.1° |
| N2 | C13 | C14 | C15 | 178.7° | 179.8° |
| N2 | C13 | C14 | C19 | 0.8° | 0.2° |
| C13 | N2 | C12 | H19 | 179.0° | 180.0° |
| C12 | N2 | C13 | C14 | 0.1° | 0.1° |
| N2 | C12 | C11 | H19 | 180.0° | 180.0° |
| N2 | C12 | C11 | C19 | 1.5° | 0.3° |
| N2 | C12 | C11 | N1 | 178.1° | 179.7° |
| C12 | N2 | C13 | H5 | 179.9° | 179.7° |
| C13 | C14 | C15 | C19 | 179.5° | 180.0° |
| C13 | C14 | C15 | C16 | 179.2° | 180.0° |
| C13 | C14 | C19 | C11 | 0.3° | 0.5° |
| C13 | C14 | C19 | C18 | 179.6° | 179.5° |
| C13 | C14 | C15 | H6 | 0.8° | 0.0° |
| C12 | C11 | C19 | C14 | 0.7° | 0.6° |
| C12 | C11 | C19 | N1 | 179.6° | 179.4° |
| C12 | C11 | C19 | C18 | 178.6° | 179.5° |
| C12 | C11 | N1 | C10 | 89.2° | 28.0° |
| C12 | C11 | N1 | H1 | 90.7° | 151.7° |
| C14 | C15 | C16 | H6 | 180.0° | 179.9° |
| C15 | C14 | C19 | C11 | 179.2° | 179.5° |
| C15 | C14 | C19 | C18 | 0.1° | 0.5° |
| C14 | C15 | C16 | C17 | 0.3° | 1.1° |
| C15 | C14 | C13 | H5 | 1.3° | 0.0° |
| C14 | C15 | C16 | H18 | 179.7° | 180.0° |
| C19 | C14 | C15 | C16 | 0.3° | 0.0° |
| C14 | C19 | C11 | C18 | 179.3° | 180.0° |
| C14 | C19 | C11 | N1 | 178.9° | 180.0° |
| C14 | C19 | C18 | C17 | 0.4° | 0.0° |
| C19 | C14 | C13 | H5 | 179.2° | 180.0° |
| C19 | C14 | C15 | H6 | 179.7° | 180.0° |
| C14 | C19 | C18 | H17 | 179.6° | 180.0° |
| C15 | C16 | C17 | H18 | 180.0° | 178.9° |
| C15 | C16 | C17 | C18 | 0.0° | 1.6° |
| C15 | C16 | C17 | H7 | 180.0° | 179.4° |
| C19 | C11 | N1 | C10 | 91.2° | 151.4° |
| C11 | C19 | C18 | C17 | 178.9° | 180.0° |
| C19 | C11 | N1 | H1 | 88.8° | 28.9° |
| C11 | C19 | C18 | H17 | 1.1° | 0.0° |
| C19 | C11 | C12 | H19 | 178.6° | 179.7° |
| N1 | C11 | C19 | C18 | 1.8° | 0.1° |
| C11 | N1 | C10 | O1 | 0.1° | 5.1° |
| C11 | N1 | C10 | H1 | 180.0° | 179.7° |
| C11 | N1 | C10 | C1 | 179.7° | 174.9° |
| N1 | C11 | C12 | H19 | 1.9° | 0.3° |
| C19 | C18 | C17 | C16 | 0.4° | 1.1° |
| C19 | C18 | C17 | H17 | 180.0° | 180.0° |
| C19 | C18 | C17 | H7 | 179.6° | 180.0° |
| C16 | C17 | C18 | H7 | 180.0° | 178.9° |
| C17 | C16 | C15 | H6 | 179.7° | 179.0° |
| C16 | C17 | C18 | H17 | 179.6° | 178.9° |
| O1 | C10 | N1 | C1 | 179.6° | 180.0° |
| O1 | C10 | C1 | C2 | 111.2° | 3.3° |
| O1 | C10 | C1 | C | 6.9° | 116.6° |
| O1 | C10 | C1 | C9 | 130.8° | 123.5° |
| O1 | C10 | N1 | H1 | 179.8° | 174.6° |
| N1 | C10 | C1 | C2 | 68.4° | 176.7° |
| N1 | C10 | C1 | C | 173.5° | 63.5° |
| N1 | C10 | C1 | C9 | 49.7° | 56.4° |
| C10 | C1 | C2 | C | 121.3° | 119.9° |
| C10 | C1 | C2 | C9 | 119.0° | 120.1° |
| C10 | C1 | C2 | C3 | 163.2° | 71.8° |
| C10 | C1 | C | C9 | 123.3° | 119.9° |
| C10 | C1 | C | N | 48.8° | 62.8° |
| C10 | C1 | C9 | C8 | 48.1° | 77.8° |
| C10 | C1 | C9 | C4 | 131.5° | 102.2° |
| C1 | C10 | N1 | H1 | 0.3° | 5.4° |
| C10 | C1 | C2 | H10 | 76.5° | 168.5° |
| C10 | C1 | C2 | H11 | 43.0° | 47.8° |
| C10 | C1 | C | H12 | 72.0° | 177.2° |
| C10 | C1 | C | H13 | 169.6° | 57.1° |
| C18 | C17 | C16 | H18 | 180.0° | 179.5° |
| C1 | C2 | C3 | H10 | 120.3° | 119.8° |
| C1 | C2 | C3 | H11 | 120.3° | 119.7° |
| C2 | C1 | C | C9 | 118.0° | 120.1° |
| C2 | C1 | C | N | 167.5° | 57.1° |
| C1 | C2 | C3 | O | 62.9° | 64.7° |
| C2 | C1 | C9 | C8 | 166.0° | 162.1° |
| C2 | C1 | C9 | C4 | 13.6° | 17.9° |
| C1 | C2 | C3 | H8 | 57.4° | 54.9° |
| C1 | C2 | C3 | H9 | 176.9° | 175.5° |
| C1 | C2 | H10 | H11 | 119.2° | 120.6° |
| C2 | C1 | C | H12 | 46.7° | 62.9° |
| C2 | C1 | C | H13 | 71.7° | 177.1° |
| C3 | C2 | C1 | C | 75.5° | 168.3° |
| C3 | C2 | C1 | C9 | 44.2° | 48.3° |
| C2 | C3 | O | H8 | 120.2° | 119.7° |
| C2 | C3 | O | H9 | 120.2° | 119.8° |
| C2 | C3 | O | C4 | 46.4° | 49.2° |
| C2 | C3 | H8 | H9 | 119.4° | 120.6° |
| C3 | C2 | H10 | H11 | 119.1° | 120.5° |
| C1 | C | N | H12 | 120.9° | 120.0° |
| C1 | C | N | H13 | 120.8° | 119.9° |
| C | C1 | C9 | C8 | 76.6° | 42.1° |
| C | C1 | C9 | C4 | 103.8° | 137.9° |
| C | C1 | C2 | H10 | 44.8° | 48.5° |
| C | C1 | C2 | H11 | 164.2° | 72.1° |
| C1 | C | H12 | H13 | 117.5° | 120.0° |
| C1 | C | N | H14 | 180.0° | 66.2° |
| C1 | C | N | H15 | 60.0° | 169.8° |
| C9 | C1 | C | N | 74.5° | 177.3° |
| C1 | C9 | C8 | C4 | 179.6° | 180.0° |
| C1 | C9 | C4 | O | 2.1° | 0.6° |
| C1 | C9 | C8 | C7 | 179.1° | 179.9° |
| C1 | C9 | C4 | C5 | 179.1° | 179.8° |
| C1 | C9 | C8 | H4 | 1.0° | 0.1° |
| C9 | C1 | C2 | H10 | 164.5° | 71.5° |
| C9 | C1 | C2 | H11 | 76.1° | 167.9° |
| C9 | C1 | C | H12 | 164.7° | 57.3° |
| C9 | C1 | C | H13 | 46.3° | 62.8° |
| N | C | H12 | H13 | 117.4° | 120.0° |
| C | N | H14 | H15 | 120.0° | 124.0° |
| C3 | O | C4 | C9 | 14.6° | 17.2° |
| C3 | O | C4 | C5 | 164.3° | 163.1° |
| O | C3 | H8 | H9 | 119.3° | 120.5° |
| O | C3 | C2 | H10 | 176.9° | 55.0° |
| O | C3 | C2 | H11 | 57.4° | 175.6° |
| C8 | C9 | C4 | O | 178.3° | 179.4° |
| C9 | C8 | C7 | H4 | 180.0° | 180.0° |
| C8 | C9 | C4 | C5 | 0.5° | 0.2° |
| C9 | C8 | C7 | CL | 178.9° | 180.0° |
| C9 | C8 | C7 | C6 | 0.3° | 0.0° |
| C9 | C4 | O | C5 | 178.9° | 179.6° |
| C4 | C9 | C8 | C7 | 0.6° | 0.1° |
| C9 | C4 | C5 | C6 | 0.2° | 0.1° |
| C9 | C4 | C5 | H2 | 179.8° | 179.9° |
| C4 | C9 | C8 | H4 | 179.4° | 179.9° |
| O | C4 | C5 | C6 | 178.7° | 179.5° |
| O | C4 | C5 | H2 | 1.3° | 0.5° |
| C4 | O | C3 | H8 | 73.8° | 70.6° |
| C4 | O | C3 | H9 | 166.7° | 169.0° |
| C8 | C7 | CL | C6 | 178.7° | 180.0° |
| C8 | C7 | C6 | C5 | 0.0° | 0.1° |
| C8 | C7 | C6 | H3 | 179.9° | 179.9° |
| C4 | C5 | C6 | C7 | 0.1° | 0.0° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | H3 | 179.9° | 180.0° |
| CL | C7 | C6 | C5 | 178.6° | 179.9° |
| CL | C7 | C6 | H3 | 1.4° | 0.1° |
| CL | C7 | C8 | H4 | 1.0° | 0.0° |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C7 | C6 | C5 | H2 | 179.9° | 180.0° |
| C6 | C7 | C8 | H4 | 179.7° | 180.0° |
| H2 | C5 | C6 | H3 | 0.1° | 0.0° |
| H6 | C15 | C16 | H18 | 0.3° | 0.1° |
| H7 | C17 | C18 | H17 | 0.4° | 0.0° |
| H7 | C17 | C16 | H18 | 0.0° | 0.5° |
| H8 | C3 | C2 | H10 | 62.9° | 174.7° |
| H8 | C3 | C2 | H11 | 177.6° | 64.7° |
| H9 | C3 | C2 | H10 | 56.7° | 64.7° |
| H9 | C3 | C2 | H11 | 62.8° | 55.8° |
| H12 | C | N | H14 | 59.2° | 53.8° |
| H12 | C | N | H15 | 179.1° | 70.1° |
| H13 | C | N | H14 | 59.1° | 173.8° |
| H13 | C | N | H15 | 60.8° | 49.9° |
