Z80
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C17 | sing | 1.39Å | 1.54Å | Aromatic |
| N1 | C1 | sing | 1.39Å | 1.43Å | |
| N1 | C4 | sing | 1.39Å | 1.43Å | |
| C2 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | S1 | sing | 1.76Å | 1.69Å | |
| N2 | C14 | sing | 1.47Å | 1.46Å | |
| C3 | S1 | sing | 1.76Å | 1.69Å | |
| C3 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | C17 | doub | 1.38Å | 1.32Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | N1 | sing | 1.47Å | 1.47Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | N2 | sing | 1.47Å | 1.46Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | N2 | sing | 1.47Å | 1.46Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| CL1 | C10 | sing | 1.74Å | 1.80Å | |
| C7 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C1 | N1 | 119.7° | 118.8° |
| C17 | C1 | C2 | 117.2° | 119.4° |
| C1 | C17 | C5 | 116.9° | 120.3° |
| C1 | C17 | H20 | 121.5° | 119.8° |
| C1 | N1 | C4 | 124.1° | 124.5° |
| N1 | C1 | C2 | 123.0° | 121.9° |
| C1 | N1 | C12 | 116.7° | 117.8° |
| N1 | C4 | C3 | 121.9° | 121.8° |
| N1 | C4 | C11 | 120.9° | 118.7° |
| C4 | N1 | C12 | 119.2° | 117.7° |
| C1 | C2 | S1 | 120.5° | 120.7° |
| C1 | C2 | C7 | 121.1° | 120.0° |
| C2 | S1 | C3 | 109.1° | 103.4° |
| S1 | C2 | C7 | 118.4° | 119.3° |
| N2 | C14 | C13 | 109.0° | 109.5° |
| N2 | C14 | H10 | 109.6° | 109.5° |
| N2 | C14 | H11 | 109.6° | 109.4° |
| C14 | N2 | C15 | 119.9° | 111.0° |
| C14 | N2 | C16 | 120.6° | 111.0° |
| S1 | C3 | C8 | 117.5° | 119.3° |
| S1 | C3 | C4 | 121.4° | 120.7° |
| C8 | C3 | C4 | 121.1° | 120.0° |
| C3 | C8 | H3 | 119.4° | 119.9° |
| C3 | C8 | C9 | 121.2° | 120.2° |
| C3 | C4 | C11 | 117.2° | 119.4° |
| C6 | C5 | H1 | 117.5° | 119.9° |
| C6 | C5 | C17 | 125.0° | 120.2° |
| C5 | C6 | C7 | 119.2° | 119.9° |
| C5 | C6 | H2 | 120.4° | 120.0° |
| H1 | C5 | C17 | 117.5° | 119.9° |
| C5 | C17 | H20 | 121.5° | 119.9° |
| C7 | C6 | H2 | 120.4° | 120.1° |
| C6 | C7 | C2 | 120.5° | 120.2° |
| C6 | C7 | H18 | 119.7° | 119.8° |
| C2 | C7 | H18 | 119.8° | 120.0° |
| H3 | C8 | C9 | 119.4° | 119.8° |
| C8 | C9 | H4 | 120.6° | 120.0° |
| C8 | C9 | C10 | 118.8° | 119.9° |
| H4 | C9 | C10 | 120.6° | 120.1° |
| C9 | C10 | C11 | 120.2° | 120.2° |
| C9 | C10 | CL1 | 118.3° | 119.9° |
| C4 | C11 | C10 | 121.5° | 120.3° |
| C4 | C11 | H5 | 119.3° | 119.9° |
| C10 | C11 | H5 | 119.2° | 119.8° |
| C11 | C10 | CL1 | 121.5° | 119.9° |
| N1 | C12 | H6 | 108.2° | 109.5° |
| N1 | C12 | H7 | 108.2° | 109.5° |
| N1 | C12 | C13 | 113.3° | 109.5° |
| H6 | C12 | H7 | 110.7° | 109.5° |
| H6 | C12 | C13 | 108.2° | 109.4° |
| H7 | C12 | C13 | 108.2° | 109.5° |
| C12 | C13 | H8 | 108.4° | 109.4° |
| C12 | C13 | H9 | 108.4° | 109.5° |
| C12 | C13 | C14 | 112.8° | 109.4° |
| H8 | C13 | H9 | 110.5° | 109.5° |
| H8 | C13 | C14 | 108.4° | 109.5° |
| H9 | C13 | C14 | 108.4° | 109.5° |
| C13 | C14 | H10 | 109.6° | 109.5° |
| C13 | C14 | H11 | 109.7° | 109.5° |
| H10 | C14 | H11 | 109.3° | 109.4° |
| N2 | C15 | H12 | 109.5° | 109.5° |
| N2 | C15 | H13 | 109.5° | 109.5° |
| N2 | C15 | H14 | 109.5° | 109.5° |
| C15 | N2 | C16 | 119.5° | 111.0° |
| H12 | C15 | H13 | 109.5° | 109.5° |
| H12 | C15 | H14 | 109.5° | 109.4° |
| H13 | C15 | H14 | 109.5° | 109.5° |
| N2 | C16 | H15 | 109.5° | 109.5° |
| N2 | C16 | H16 | 109.5° | 109.5° |
| N2 | C16 | H17 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.4° | 109.5° |
| H15 | C16 | H17 | 109.4° | 109.4° |
| H16 | C16 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C1 | N1 | C2 | 180.0° | 179.7° |
| C17 | C1 | N1 | C4 | 179.2° | 155.6° |
| C17 | C1 | C2 | S1 | 179.7° | 179.8° |
| C1 | C17 | C5 | C6 | 0.8° | 0.2° |
| C1 | C17 | C5 | H1 | 179.2° | 179.9° |
| C1 | C17 | C5 | H20 | 180.0° | 179.9° |
| C17 | C1 | C2 | C7 | 0.4° | 0.2° |
| C17 | C1 | N1 | C12 | 0.0° | 24.3° |
| C1 | N1 | C4 | C12 | 179.2° | 179.9° |
| N1 | C1 | C2 | S1 | 0.3° | 0.5° |
| C1 | N1 | C4 | C3 | 0.7° | 24.4° |
| N1 | C1 | C17 | C5 | 179.3° | 179.7° |
| N1 | C1 | C2 | C7 | 179.6° | 179.5° |
| C1 | N1 | C4 | C11 | 179.6° | 155.7° |
| C1 | N1 | C12 | H6 | 135.4° | 150.0° |
| C1 | N1 | C12 | H7 | 15.4° | 30.0° |
| C1 | N1 | C12 | C13 | 104.6° | 90.0° |
| N1 | C1 | C17 | H20 | 0.8° | 0.3° |
| C4 | N1 | C1 | C2 | 0.8° | 24.6° |
| N1 | C4 | C3 | S1 | 0.2° | 0.1° |
| N1 | C4 | C3 | C8 | 179.6° | 179.8° |
| N1 | C4 | C3 | C11 | 179.7° | 179.9° |
| N1 | C4 | C11 | C10 | 179.6° | 179.8° |
| N1 | C4 | C11 | H5 | 0.4° | 0.1° |
| C4 | N1 | C12 | H6 | 43.8° | 30.0° |
| C4 | N1 | C12 | H7 | 163.8° | 150.0° |
| C4 | N1 | C12 | C13 | 76.1° | 90.0° |
| C1 | C2 | S1 | C7 | 179.9° | 180.0° |
| C1 | C2 | S1 | C3 | 0.2° | 17.6° |
| C2 | C1 | C17 | C5 | 0.7° | 0.1° |
| C1 | C2 | C7 | C6 | 0.0° | 0.1° |
| C2 | C1 | N1 | C12 | 180.0° | 155.4° |
| C1 | C2 | C7 | H18 | 179.9° | 179.8° |
| C2 | C1 | C17 | H20 | 179.2° | 180.0° |
| C2 | S1 | C3 | C8 | 179.9° | 162.3° |
| C2 | S1 | C3 | C4 | 0.2° | 17.8° |
| S1 | C2 | C7 | C6 | 179.9° | 179.8° |
| S1 | C2 | C7 | H18 | 0.0° | 0.2° |
| N2 | C14 | C13 | C12 | 129.3° | 180.0° |
| N2 | C14 | C13 | H8 | 110.7° | 60.0° |
| N2 | C14 | C13 | H9 | 9.3° | 60.0° |
| N2 | C14 | C13 | H10 | 120.0° | 120.0° |
| N2 | C14 | C13 | H11 | 120.0° | 120.0° |
| N2 | C14 | H10 | H11 | 120.2° | 119.9° |
| C14 | N2 | C15 | C16 | 178.3° | 124.0° |
| C14 | N2 | C15 | H12 | 180.0° | 60.0° |
| C14 | N2 | C15 | H13 | 60.0° | 180.0° |
| C14 | N2 | C15 | H14 | 60.0° | 60.0° |
| C14 | N2 | C16 | H15 | 180.0° | 60.0° |
| C14 | N2 | C16 | H16 | 60.0° | 180.0° |
| C14 | N2 | C16 | H17 | 60.0° | 60.0° |
| S1 | C3 | C8 | C4 | 179.9° | 179.9° |
| C3 | S1 | C2 | C7 | 179.9° | 162.4° |
| S1 | C3 | C8 | H3 | 0.1° | 0.1° |
| S1 | C3 | C8 | C9 | 180.0° | 180.0° |
| S1 | C3 | C4 | C11 | 179.9° | 180.0° |
| C3 | C8 | H3 | C9 | 180.0° | 180.0° |
| C3 | C8 | C9 | H4 | 179.9° | 180.0° |
| C3 | C8 | C9 | C10 | 0.1° | 0.1° |
| C8 | C3 | C4 | C11 | 0.1° | 0.1° |
| C4 | C3 | C8 | H3 | 179.9° | 179.8° |
| C4 | C3 | C8 | C9 | 0.1° | 0.1° |
| C3 | C4 | C11 | C10 | 0.1° | 0.1° |
| C3 | C4 | C11 | H5 | 179.9° | 179.9° |
| C3 | C4 | N1 | C12 | 179.9° | 155.7° |
| C6 | C5 | H1 | C17 | 180.0° | 179.9° |
| C5 | C6 | C7 | H2 | 180.0° | 180.0° |
| C5 | C6 | C7 | C2 | 0.0° | 0.1° |
| C5 | C6 | C7 | H18 | 179.9° | 180.0° |
| C6 | C5 | C17 | H20 | 179.2° | 179.8° |
| H1 | C5 | C6 | C7 | 179.5° | 179.9° |
| H1 | C5 | C6 | H2 | 0.4° | 0.1° |
| H1 | C5 | C17 | H20 | 0.8° | 0.1° |
| C17 | C5 | C6 | C7 | 0.5° | 0.2° |
| C17 | C5 | C6 | H2 | 179.5° | 179.8° |
| C6 | C7 | C2 | H18 | 180.0° | 179.9° |
| H2 | C6 | C7 | C2 | 180.0° | 179.9° |
| H2 | C6 | C7 | H18 | 0.0° | 0.0° |
| H3 | C8 | C9 | H4 | 0.1° | 0.1° |
| H3 | C8 | C9 | C10 | 179.9° | 179.8° |
| C8 | C9 | H4 | C10 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.1° | 0.1° |
| C8 | C9 | C10 | CL1 | 179.9° | 179.9° |
| H4 | C9 | C10 | C11 | 179.9° | 180.0° |
| H4 | C9 | C10 | CL1 | 0.1° | 0.2° |
| C9 | C10 | C11 | C4 | 0.1° | 0.1° |
| C9 | C10 | C11 | CL1 | 180.0° | 179.7° |
| C9 | C10 | C11 | H5 | 179.9° | 179.9° |
| C4 | C11 | C10 | H5 | 180.0° | 179.9° |
| C11 | C4 | N1 | C12 | 0.4° | 24.3° |
| C4 | C11 | C10 | CL1 | 179.9° | 179.9° |
| H5 | C11 | C10 | CL1 | 0.1° | 0.2° |
| N1 | C12 | H6 | H7 | 118.4° | 120.0° |
| N1 | C12 | H6 | C13 | 123.1° | 120.0° |
| N1 | C12 | H7 | C13 | 123.1° | 120.0° |
| N1 | C12 | C13 | H8 | 44.6° | 60.0° |
| N1 | C12 | C13 | H9 | 164.5° | 60.0° |
| N1 | C12 | C13 | C14 | 75.5° | 180.0° |
| H6 | C12 | H7 | C13 | 118.4° | 120.0° |
| H6 | C12 | C13 | H8 | 75.4° | 180.0° |
| H6 | C12 | C13 | H9 | 44.5° | 60.0° |
| H6 | C12 | C13 | C14 | 164.5° | 60.0° |
| H7 | C12 | C13 | H8 | 164.6° | 60.0° |
| H7 | C12 | C13 | H9 | 75.5° | 180.0° |
| H7 | C12 | C13 | C14 | 44.5° | 60.0° |
| C12 | C13 | H8 | H9 | 118.6° | 120.0° |
| C12 | C13 | H8 | C14 | 122.8° | 120.0° |
| C12 | C13 | H9 | C14 | 122.8° | 120.0° |
| C12 | C13 | C14 | H10 | 110.7° | 60.0° |
| C12 | C13 | C14 | H11 | 9.3° | 60.0° |
| H8 | C13 | H9 | C14 | 118.6° | 120.1° |
| H8 | C13 | C14 | H10 | 9.3° | 60.0° |
| H8 | C13 | C14 | H11 | 129.3° | 180.0° |
| H9 | C13 | C14 | H10 | 129.3° | 180.0° |
| H9 | C13 | C14 | H11 | 110.7° | 60.0° |
| C13 | C14 | H10 | H11 | 120.2° | 120.1° |
| C13 | C14 | N2 | C15 | 100.4° | 66.1° |
| C13 | C14 | N2 | C16 | 81.4° | 170.0° |
| H10 | C14 | N2 | C15 | 19.6° | 173.9° |
| H10 | C14 | N2 | C16 | 158.6° | 50.0° |
| H11 | C14 | N2 | C15 | 139.6° | 54.0° |
| H11 | C14 | N2 | C16 | 38.7° | 70.0° |
| N2 | C15 | H12 | H13 | 120.0° | 120.0° |
| N2 | C15 | H12 | H14 | 120.0° | 120.0° |
| N2 | C15 | H13 | H14 | 120.0° | 120.0° |
| C15 | N2 | C16 | H15 | 1.7° | 176.1° |
| C15 | N2 | C16 | H16 | 121.7° | 56.1° |
| C15 | N2 | C16 | H17 | 118.3° | 64.0° |
| H12 | C15 | H13 | H14 | 120.0° | 120.0° |
| H12 | C15 | N2 | C16 | 1.7° | 64.0° |
| H13 | C15 | N2 | C16 | 118.3° | 56.1° |
| H14 | C15 | N2 | C16 | 121.7° | 176.1° |
| N2 | C16 | H15 | H16 | 120.0° | 120.0° |
| N2 | C16 | H15 | H17 | 120.0° | 120.0° |
| N2 | C16 | H16 | H17 | 120.0° | 120.0° |
| H15 | C16 | H16 | H17 | 119.9° | 120.0° |
