ZUC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | O1 | sing | 1.36Å | 1.35Å | |
| C6 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C7 | N1 | sing | 1.40Å | 1.41Å | |
| N1 | C8 | sing | 1.35Å | 1.35Å | |
| O2 | C8 | doub | 1.22Å | 1.23Å | |
| C8 | C9 | sing | 1.48Å | 1.51Å | |
| C9 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C13 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| F1 | C13 | sing | 1.35Å | 1.35Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | N2 | doub | 1.32Å | 1.33Å | Aromatic |
| C12 | N2 | sing | 1.32Å | 1.33Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| O1 | H9 | sing | 0.97Å | 0.95Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 120.2° | 120.2° |
| C4 | C5 | C6 | 119.9° | 120.1° |
| C5 | C4 | H2 | 119.9° | 119.9° |
| C4 | C5 | H3 | 120.1° | 120.0° |
| C4 | C3 | C2 | 121.4° | 120.2° |
| C3 | C4 | H2 | 119.9° | 119.9° |
| C4 | C3 | H8 | 119.3° | 119.9° |
| C5 | C6 | O1 | 121.1° | 120.1° |
| C5 | C6 | C7 | 119.8° | 119.8° |
| C6 | C5 | H3 | 120.1° | 120.0° |
| C3 | C2 | C7 | 118.3° | 120.0° |
| C3 | C2 | C1 | 120.2° | 120.0° |
| C2 | C3 | H8 | 119.3° | 119.9° |
| O1 | C6 | C7 | 119.1° | 120.1° |
| C6 | O1 | H9 | 109.5° | 114.0° |
| C6 | C7 | C2 | 120.4° | 119.8° |
| C6 | C7 | N1 | 118.0° | 120.0° |
| C7 | C2 | C1 | 121.5° | 120.0° |
| C2 | C7 | N1 | 121.4° | 120.1° |
| C2 | C1 | H5 | 109.5° | 109.4° |
| C2 | C1 | H6 | 109.5° | 109.5° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C7 | N1 | C8 | 128.1° | 120.0° |
| C7 | N1 | H1 | 115.9° | 120.0° |
| N1 | C8 | O2 | 123.4° | 120.0° |
| N1 | C8 | C9 | 115.6° | 120.0° |
| C8 | N1 | H1 | 115.9° | 120.0° |
| O2 | C8 | C9 | 121.0° | 120.0° |
| C8 | C9 | C10 | 119.1° | 120.9° |
| C8 | C9 | C13 | 123.3° | 121.0° |
| C10 | C9 | C13 | 117.4° | 118.1° |
| C9 | C10 | C11 | 118.7° | 119.1° |
| C9 | C10 | H4 | 120.6° | 120.5° |
| C9 | C13 | F1 | 120.3° | 120.5° |
| C9 | C13 | C12 | 120.0° | 118.9° |
| C10 | C11 | N2 | 123.5° | 120.9° |
| C11 | C10 | H4 | 120.6° | 120.5° |
| C10 | C11 | H10 | 118.3° | 119.5° |
| F1 | C13 | C12 | 119.6° | 120.6° |
| C13 | C12 | N2 | 122.4° | 120.9° |
| C13 | C12 | H11 | 118.8° | 119.6° |
| C11 | N2 | C12 | 117.9° | 122.1° |
| N2 | C11 | H10 | 118.3° | 119.6° |
| N2 | C12 | H11 | 118.8° | 119.6° |
| H5 | C1 | H6 | 109.5° | 109.5° |
| H5 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H7 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | H2 | 180.0° | 179.7° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 3.0° | 0.0° |
| C4 | C5 | C6 | O1 | 178.6° | 179.9° |
| C4 | C5 | C6 | C7 | 0.7° | 0.0° |
| C5 | C4 | C3 | H8 | 177.0° | 179.9° |
| C3 | C4 | C5 | C6 | 2.1° | 0.0° |
| C4 | C3 | C2 | H8 | 180.0° | 179.9° |
| C4 | C3 | C2 | C7 | 1.1° | 0.1° |
| C4 | C3 | C2 | C1 | 179.1° | 180.0° |
| C3 | C4 | C5 | H3 | 177.9° | 180.0° |
| C5 | C6 | O1 | C7 | 178.0° | 180.0° |
| C5 | C6 | C7 | C2 | 2.5° | 0.0° |
| C5 | C6 | C7 | N1 | 179.2° | 180.0° |
| C6 | C5 | C4 | H2 | 177.9° | 179.7° |
| C5 | C6 | O1 | H9 | 180.0° | 96.4° |
| C3 | C2 | C7 | C6 | 1.6° | 0.0° |
| C3 | C2 | C7 | C1 | 179.8° | 180.0° |
| C3 | C2 | C7 | N1 | 178.2° | 180.0° |
| C2 | C3 | C4 | H2 | 177.0° | 179.7° |
| C3 | C2 | C1 | H5 | 90.1° | 90.0° |
| C3 | C2 | C1 | H6 | 149.9° | 30.0° |
| C3 | C2 | C1 | H7 | 29.9° | 150.0° |
| O1 | C6 | C7 | C2 | 179.5° | 180.0° |
| O1 | C6 | C7 | N1 | 2.7° | 0.0° |
| O1 | C6 | C5 | H3 | 1.4° | 0.0° |
| C6 | C7 | C2 | N1 | 176.6° | 180.0° |
| C6 | C7 | C2 | C1 | 178.1° | 180.0° |
| C6 | C7 | N1 | C8 | 98.5° | 35.7° |
| C6 | C7 | N1 | H1 | 81.5° | 144.1° |
| C7 | C6 | C5 | H3 | 179.4° | 180.0° |
| C7 | C6 | O1 | H9 | 2.0° | 83.6° |
| C2 | C7 | N1 | C8 | 84.8° | 144.3° |
| C2 | C7 | N1 | H1 | 95.2° | 35.9° |
| C7 | C2 | C1 | H5 | 90.1° | 90.0° |
| C7 | C2 | C1 | H6 | 29.9° | 150.0° |
| C7 | C2 | C1 | H7 | 149.9° | 30.0° |
| C7 | C2 | C3 | H8 | 178.9° | 180.0° |
| C1 | C2 | C7 | N1 | 1.5° | 0.0° |
| C2 | C1 | H5 | H6 | 120.0° | 120.0° |
| C2 | C1 | H5 | H7 | 120.0° | 120.0° |
| C2 | C1 | H6 | H7 | 120.0° | 120.0° |
| C1 | C2 | C3 | H8 | 0.9° | 0.1° |
| C7 | N1 | C8 | H1 | 180.0° | 179.8° |
| C7 | N1 | C8 | O2 | 7.3° | 3.6° |
| C7 | N1 | C8 | C9 | 175.4° | 176.4° |
| N1 | C8 | O2 | C9 | 177.1° | 179.9° |
| N1 | C8 | C9 | C10 | 48.5° | 0.0° |
| N1 | C8 | C9 | C13 | 127.1° | 180.0° |
| O2 | C8 | C9 | C10 | 128.8° | 180.0° |
| O2 | C8 | C9 | C13 | 55.6° | 0.1° |
| O2 | C8 | N1 | H1 | 172.7° | 176.7° |
| C8 | C9 | C10 | C13 | 175.8° | 180.0° |
| C8 | C9 | C10 | C11 | 179.0° | 180.0° |
| C8 | C9 | C13 | F1 | 1.9° | 0.3° |
| C8 | C9 | C13 | C12 | 179.1° | 179.4° |
| C9 | C8 | N1 | H1 | 4.5° | 3.4° |
| C8 | C9 | C10 | H4 | 1.0° | 0.3° |
| C9 | C10 | C11 | H4 | 180.0° | 179.8° |
| C10 | C9 | C13 | F1 | 177.5° | 179.7° |
| C10 | C9 | C13 | C12 | 3.5° | 0.5° |
| C9 | C10 | C11 | N2 | 0.4° | 0.3° |
| C9 | C10 | C11 | H10 | 179.5° | 179.7° |
| C13 | C9 | C10 | C11 | 3.2° | 0.0° |
| C9 | C13 | F1 | C12 | 178.9° | 179.2° |
| C9 | C13 | C12 | N2 | 1.1° | 0.8° |
| C13 | C9 | C10 | H4 | 176.8° | 179.8° |
| C9 | C13 | C12 | H11 | 178.9° | 180.0° |
| C10 | C11 | N2 | H10 | 180.0° | 180.0° |
| C10 | C11 | N2 | C12 | 2.1° | 0.0° |
| F1 | C13 | C12 | N2 | 180.0° | 180.0° |
| F1 | C13 | C12 | H11 | 0.0° | 0.8° |
| C13 | C12 | N2 | C11 | 1.7° | 0.5° |
| C13 | C12 | N2 | H11 | 180.0° | 179.2° |
| N2 | C11 | C10 | H4 | 179.6° | 180.0° |
| C11 | N2 | C12 | H11 | 178.3° | 179.7° |
| C12 | N2 | C11 | H10 | 177.9° | 180.0° |
| H2 | C4 | C5 | H3 | 2.1° | 0.3° |
| H2 | C4 | C3 | H8 | 3.0° | 0.2° |
| H4 | C10 | C11 | H10 | 0.5° | 0.1° |
| H5 | C1 | H6 | H7 | 120.0° | 120.0° |
